Preprint 2011 Efficient modeling of localized material failure by means of a variationally consistent embedded strong J. Mosler, L. Stanković and R. Radulović Materials Mechanics Helmholtz-Zentrum Geesthacht discontinuity approach This is a preprint of an article accepted by: International Journal for Numerical Methods in Engineering (2011) Efficient modeling of localized material failure by means of a variationally consistent embedded strong discontinuity approach J. Mosler & R. Radulović L. Stanković Materials Mechanics Institute of Materials Research Helmholtz-Zentrum Geesthacht D-21502 Geesthacht, Germany E-Mail: joern.mosler@hzg.de Institute of Mechanics Ruhr University Bochum D-44780 Bochum, Germany SUMMARY This paper is concerned with a novel embedded strong discontinuity approach suitable for the analysis of material failure at finite strains. Focus is on localized plastic deformation particularly relevant for slip bands. In contrast to already existing models, the proposed implementation allows to consider several interacting discontinuities in each finite element. Based on a proper re-formulation of the kinematics, an efficient parameterization of the deformation gradient is derived. It permits to compute the strains explicitly which improves the performance significantly. However, the most important novel contribution of the present paper is the advocated variational constitutive update. Within this framework, every aspect is naturally driven by energy minimization, i.e., all unknown variables are jointly computed by minimizing the stress power. The proposed update relies strongly on an extended principle of maximum dissipation. This framework provides enough flexibility for different failure types and for a broad class of non-associative evolution equations. By discretizing the aforementioned continuous variational principle, an efficient numerical implementation is obtained. It shows, in addition to its physical and mathematical elegance, several practical advantages. For instance, the physical minimization principle itself specifies automatically and naturally the set of active strong discontinuities. 1 INTRODUCTION Traditionally, the modeling of cracks and shear bands is one of the most active research areas in (computational) mechanics, see, e.g., [1, 2] and references cited therein for a comprehensive overview. Since the pioneering works [3–5] have been published, particularly, so-called cohesive models have been frequently applied to the numerical analysis of localized material failure. In contrast to standard stress-strain-based approaches, cohesive models are governed by means of a traction-separation law. For instance, in case of brittle material failure, the normal component of the traction vector is driven by the crack opening displacement (see [6]), while for ductile mode-II or mode-III failure, a Schmid-type constitutive law connecting the resolved shear stress to the slip deformation is often utilized, cf. [7]. Cohesive material models are usually based on a discontinuous approximation of the displacement field (strong discontinuities) for capturing the material’s failure, although the separation can be modeled in a smeared fashion by using an inelastic strain field as well, cf. [8]. Consequently, the discontinuities caused by cracks or shear bands are explicitly and naturally included within this framework. In addition to this positive feature, such models show numerous further advantages. For instance, they fulfill all criteria regarded as suitable for an efficient analysis of failure in large-scale engineering structures as enumerated by Belytschko, Fish & Engelmann [9]. More precisely, strong discontinuity approaches or cohesive models avoid the pathological mesh dependence in case of strainsoftening [10] and they account naturally for the multiscale character of material failure, i.e., the thickness of the discontinuity is by definition zero and thus, it is infinitesimally smaller than the characteristic length scale of the respective macroscopic structure. Accordingly, the idea is to incorporate the kinematics associated with the small-scale (the softening zone) into a large-scale macroscopic material model. This is typical of most efficient multiscale approaches, cf. [11–17], and permits to use relatively coarse macroscopic discretizations. This is a significant difference compared to enhanced continuum models, such as non-local theories [18, 19] or gradient enhanced models [20, 21] which require, at least, three to five finite elements across the thickness of the failure zone resulting in high computational cost. Clearly, for a realistic numerical analysis of material failure by means of strong discontinuity approaches the kinematics of cracks or shear bands have to be approximated sufficiently accurately. For that purpose, two different classes of finite element formulations can be utilized. The first of those falls into the range of interface elements, cf. [22–24], where a jump in the deformation field is allowed to occur only at the boundaries between neighboring 1 2 J. Mosler, L. Stanković and R. Radulović elements, while discontinuities can evolve arbitrarily within the second approach, i.e., displacement jumps are also accounted for in the interior of finite elements, see [11, 14, 25–27]. Within the latter framework, a further classification into models based on an element-wise approximation such as [11, 25, 26] (also known as Embedded Strong Discontinuity Approaches), and methods relying on the eXtended Finite Element Method (X-FEM) or Partition of Unity Finite Element Method (PU-FEM), cf. [14, 27] can be made. It bears emphasis that the X-FEM [14, 27] and classical interface elements [22–24] are based on a continuous crack or shear band path representation. More precisely, the field of displacement discontinuities is continuous at the element boundaries, e.g., the crack width is approximated in a continuous fashion. By way of contrast, this is not the case for the Embedded Strong Discontinuity Approach (ESDA), since it falls into the class of Enhanced Assumed Strain methods (EAS) and thus, it relies on a local and incompatible enhancement, cf. [28]. Nevertheless, a continuous crack path is frequently enforced within this framework as well, see [29, 30], though this is not required in general, cf. [31]. Further details about the underlying kinematics and a comparison between the different models are omitted here. For a more comprehensive overview, the reader is referred to [2, 32]. Within the present paper, focus is on a numerical implementation suitable for the analysis of numerous interacting and crossing cracks and shear bands in a fully three-dimensional setting at finite strains. Hence, several simultaneously active discontinuities per finite element have to be taken into account. The aforementioned physical processes can be observed at almost every scale ranging from micro-defects to the macroscopic failure of engineering structures. Consequently, the analysis of such phenomena is important for understanding the effect of micro-defects on the resulting structural response (by using representative volume elements), but also for predicting the ultimate load of complex purely macroscopic mechanical systems. Though numerical models allowing for a representation of an arbitrary crack path such as the X-FEM or the ESDA are very powerful for the simulation of a restricted number of cracks or shear bands (also in the three-dimensional case), their application to problems showing large numbers of simultaneously active discontinuities has not been demonstrated yet. More precisely, an algorithm suitable for tracking each of those numerous discontinuities individually in a fully three-dimensional setting has not been reported in the literature so far. Multiple discontinuities can naturally be modeled by using classical interface elements. Unfortunately, such formulations show a pronounced mesh bias, cf. [33], and thus, they have to be combined with adaptive strategies, see [34–36]. Moreover, within interface formulations the field of displacement discontinuities is approximated in a continuous fashion (as in the X-FEM) and hence, they require a modification of the global structure of the finite element code resulting in higher numerical cost. The brief analysis given here points out the need for a novel strong discontinuity approach for the analysis of numerous interacting and crossing cracks or slip bands. In the present paper, an approach based on the ESDA is employed. For allowing interacting and crossing failure surfaces, several discontinuities are considered in each finite element. Since this leads to increased numerical cost, efficiency of the kinematics is of utmost importance. For that purpose, a novel parameterization of the deformation gradient is elaborated which avoids the computation of the inverse of a 4th-order tensor and thus, it increases the numerical performance significantly. A further boost of the efficiency is obtained by assuming the slip bands or the cracks to be aligned with the facets of the underlying finite element discretization. Here, a strong link to the kinematics of classical interface formulations exists. However, in sharp contrast, the topology of the mesh remains fixed, i.e., no duplication of nodes is required and the global finite element level is not affected. Evidently, this procedure guarantees a continuous approximation of the crack path. The only shortcoming of this novel approach is that it entails a certain mesh bias. Fortunately, this bias is not very pronounced as demonstrated by means of selected numerical examples. Furthermore, if desired, it can be further reduced by using adaptive strategies, see [34–36], or by other advanced methods which will also be discussed in the present paper. The second requirement for the numerical analysis of material failure is a physically sound constitutive model. Here, focus is on plasticity-based material laws. Such laws are particularly important for the modeling of slip bands. A critical literature review reveals that most of the interface models are postulated in an ad-hoc manner and not derived consistently from the principles of thermodynamics. For instance, the traction vector T is frequently assumed to depend explicitly on the displacement discontinuity via T = T ([[u]]). Clearly, such a model is, at best, Cauchy-elastic, cf. [37, 38]. Thus, it does neither guarantee a vanishing dissipation in case of elastic unloading nor a truly positive dissipation in case of irreversible processes. For this reason, only thermodynamically consistent models are considered in what follows. They are usually based on the Helmholtz energy of the interfaces (cracks and shear bands) and evolution equations are derived by means of the second law of thermodynamics. Taking large plastic deformations into account, such models can be found, for instance, in [2, 7, 39, 40]. Relatively recently, combinations with ductile damage evolution, rate effects and temperature effects were proposed in a series of papers by Fagerström & Larsson, see [41–44]. Based on the cited publications, a class of non-associative plasticity models is elaborated in the present paper. It can naturally enforce certain failure modes (such as mode-II or mode-III) and covers, amongst others, an anisotropic Drucker-Prager model. In sharp contrast to existing cohesive models, the novel approach proposed here is fully variational. More precisely, every aspect is driven by energy minimization, i.e., the unknown displacement discontinuity and the internal variables are jointly computed by min- A variationally consistent embedded strong discontinuity approach 3 imizing the stress power. For providing enough flexibility to account even for non-associative evolution equations, the flow rule and the evolution equations are enforced a priori by utilizing a convenient re-parameterization. The dissipation functional can be chosen independently of those equations. The resulting variational principle can thus be understood as a novel, extended principle of maximum dissipation. A similar concept was recently developed in [45, 46] for classical plasticity models (stress-strain-based). By discretizing this variational principle, an efficient numerical implementation is derived. It can be applied to a broad range of, even non-associative, plasticity models. Furthermore, it accounts for several discontinuities within each finite element. In contrast to implementations based on a modified return-mapping scheme, no artificial search strategy for determining the active internal surfaces is required. This active set is naturally controlled by energy minimization. It will be shown that the advocated algorithmic formulation is formally identical to that for standard (continuous deformation) material models, cf. [16, 45, 47, 48]. The paper is organized as follows: First, the kinematics associated with material failure is discussed in Section 2. For that purpose, the fundamentals of the Embedded Strong Discontinuity Approach are briefly summarized. Subsequently, an efficient parameterization of the deformation gradient is elaborated and finally, the formulation is generalized to encompass several interacting discontinuities. The constitutive models are addressed in Section 3. While a standard hyperelastic model for the bulk material is briefly described in Subsection 3.1, the material response of slip bands and cracks is discussed in Subsection 3.2. Subsection 3.2 represents the main part and contains the most important novel contribution of the present paper. Starting by summarizing some general principles for the derivation of interface models in Paragraph 3.2.1, a class of constitutive laws is developed in Paragraph 3.2.2. In Paragraph 3.2.3, this class of prototype models is recast into a variationally consistent framework. Within this novel variational method, everything is consistently driven by energy minimization, i.e., the internal variables and the deformation follow naturally from energy minimization. The respective numerical implementation is elaborated in Section 4 and the performance of the resulting scheme is carefully analyzed in Section 5. 2 KINEMATICS OF EMBEDDED STRONG DISCONTINUITIES This section is concerned with the kinematics induced by strong discontinuities. More precisely, focus is on a certain approximation of discontinuous displacement fields originally advocated in [11] (see also [49–51]). In contrast to classical interface formulations [22] and eXtended Finite Element Methods (X-FEM, cf. [14, 52]), the considered approximation of the deformation field is based on the Enhanced Assumed Strain concept (EAS) [28] resulting in a globally incompatible displacement representation. As a result, this scheme is often referred to as embedded strong discontinuity approach (ESDA). First, the kinematics associated with a single discontinuity is presented in Subsection 2.1. While the fundamentals are addressed in Paragraph 2.1.1, a novel re-formulation of the discontinuous deformation mapping is elaborated in Paragraph 2.1.2. Though it is equivalent to the original description, the new equation is numerically more efficient. Finally, the extensions necessary for several possibly interacting and crossing discontinuities are discussed in Subsection 2.2. 2.1 Single strong discontinuity 2.1.1 A concise review of the fundamentals The fundamentals of the kinematics characterizing the ESDA (Embedded Strong Discontinuity Approach) are briefly summarized in this paragraph. Further details and mathematical aspects can be found, e.g., in [2, 32]. Following [11, 49, 51], the discontinuous deformation mapping associated with a crack or a shear band ∂s Ω is approximated by u = û + [ u]] (Hs − ϕ), with û, ϕ ∈ C ∞ . (1) In Eq. (1), û represents the standard, continuous displacement field, [ u]] denotes the displacement discontinuity at ∂s Ω, Hs is the Heaviside function with respect to the singular surface ∂s Ω and ϕ, not to be confused with the deformation mapping ϕ, is a smooth ramp function necessary to prescribe the boundary conditions in terms of û (see [51]). Clearly, considering a single finite element crossed by a discontinuity ∂s Ω, implies the partition of its domain Ω into Ω = Ω− ∪ ∂s Ω ∪ Ω+ , see Fig. 1. Here, the normal vector N defining locally the topology of ∂s Ω points into Ω+ . With such notations, the ramp function ϕ of a certain finite element is designed by using the standard interpolation functions Ni associated with node i as n ϕ= Ω+ X i=1 Ni (2) 4 J. Mosler, L. Stanković and R. Radulović ∂s Ω N Ω Ω+ F [ u]] Ω− F̄ F̃ J Figure 1: Kinematics induced by strong discontinuities: The deformation can be locally multiplicatively decomposed into a (standard) continuous deformation F̄ and an additional mode related to the kinematics of material failure F̃ , cf. [7]. where the summation in Eq. (2) is to be performed over all shape functions corresponding to nodes belonging to the closure of Ω+ , cf. [32, 49]. By applying the generalized derivative to the Heaviside function, i.e., DHs = N δs (see [53, 54]), the deformation gradient is computed as F =1+ ∂ [ u]] ∂ϕ ∂ û + (Hs − ϕ) + [ u]] ⊗ N δs − [ u]] ⊗ ∂X ∂X ∂X (3) with δs representing the Dirac-delta distribution. In what follows, a spatially constant approximation of the displacement discontinuity is chosen. Consequently, GRAD [ u]] = 0. More general interpolations can be found, for instance, in [55]. With this assumption, the only spatially varying variable in Eq. (3) is the continuous displacement field û. In line with the standard (continuous) finite element method, û is defined by means of shape functions, i.e., nX node (4) Ni ûei û = i=1 and continuity at the element boundaries is enforced by a standard assembling procedure. As a result, û is globally conforming and continuous. In Eq. (4), ûei are the displacements at node i. Following [7, 56], Eq. (3) can be rewritten into the equivalent multiplicative decomposition F = F̄ · F̃ , F̄ F̃ with = = 1 + GRADû − [[u]] ⊗ GRADϕ −1 1 + J ⊗ N δs , J := F̄ · [ u]] . (5) Here, the assumption GRAD [ u]] = 0 has been made again. According to Eq. (5), F̄ is the regularly distributed part of F , while F̃ is associated with the singular distribution resulting from the displacement discontinuity, see Fig. 1. In Eq. (5), J denotes the material counterpart of the displacement discontinuity, i.e., J is the pull-back of the spatial vector [ u]] and belongs to the intermediate configuration implied by the multiplicative decomposition (5)1 . Representation (5) is particularly convenient in case of plastic deformation. Further details are omitted here. They can be found in [2, 32]. 2.1.2 An equivalent, more efficient description In what follows, the displacement discontinuity ([[u]] or J ) is assumed to be associated with purely irreversible deformations. Furthermore and fully analogously to classical plasticity theory (continuous deformation), its evolution is postulated to be of the type J̇ = f (•). It bears emphasis, that such an evolution equation automatically fulfills the principle of material objectivity, since J belongs to the intermediate configuration. Thus, the strains in Ω± = Ω− ∪ Ω+ will be computed from F̄ = 1 + GRADû − F̄ · J ⊗ GRADϕ. (6) As a result, for elastic elastic unloading (or for an elastic trial state), Eq. (6) reads tr tr F̄ n+1 = F̂ n+1 − F̄ n+1 · J n ⊗ GRADϕ, F̂ := 1 + GRADûn+1 (7) A variationally consistent embedded strong discontinuity approach 5 tr where the indices n and n + 1 correspond to pseudo times tn and tn+1 . Though being linear in F̄ n+1 , Eq. (7) is implicit. According to [39], for a known continuous field û (which is the case in displacement-driven finite element formulations), the straightforward solution of Eq. (7) is given by tr F̄ n+1 = A−1 : F̂ n+1 , Aikpq := Iikpq + [Iijpq Jj GRADϕk ]|tn . (8) As evident, the computation of the inverse of the 4th-order tensor A is numerically very costly. Since this inverse has to be computed several times within the algorithm, the resulting performance of the scheme is relatively poor. For this reason, Eq. (6) will be re-written into an equivalent, but numerically more efficient, counterpart. For re-formulating Eq. (6), the deformation gradient F̄ is simply multiplied by the displacement discontinuity J yielding F̂ · J F̄ · J = F̂ · J − F̄ · J (GRADϕ · J ) ⇒ F̄ · J = . (9) 1 + GRADϕ · J Hence, Eq. (9)2 implies F̄ · J || F̂ · J , cf. [40]. Inserting Eq. (9)2 into Eq. (6), leads finally to F̄ = F̂ − 1 F̂ · J ⊗ GRADϕ. 1 + GRADϕ · J (10) Eq. (10) is better suited than Eq. (6) for, at least, two reasons. First, in case of elastic loading, Eq. (10) reads F̄ n+1 = F̂ n+1 − 1 F̂ n+1 · J n ⊗ GRADϕ. 1 + GRADϕ · J n (11) Consequently, the strains F̄ n+1 can be computed directly, without requiring the inverse of a 4th-order tensor. Thus, the resulting algorithm is significantly more efficient than that previously proposed in [39]. Secondly, for slip bands characterized by mode-II or mode-III failure, J · N = 0 holds. Hence, F̄ · J = F̂ · J and F̄ = F̂ − F̂ · J ⊗ GRADϕ. (12) While Eq. (12)2 is a further simplification of Eq. (11), Eq. (12)1 implies that the push-forwards of the material displacement jump with respect to F̂ and F̄ are identical. A similar relation for the push-forward of a tangent vector was derived in [40]. More precisely, the relation F̂ · M F̄ · M = , ||F̄ · M || ||F̂ · M || M ·N =0 (13) was derived in [40]. It bears emphasis that Eq. (12)1 encompasses Eq. (13) and thus, it is more general. Furthermore, since in displacement-based finite element formulations û and F̂ are usually known, Eq. (12)1 yields the convenient relation [ u]] = F̄ · J = F̂ · J . (14) Eq. (14) is directly related to the assumption GRAD [ u]] = 0. Remark 1 According to [57], the embedded strong discontinuity approach shares some similarities with fracture energy models based on a characteristic length lc . Conceptually, such a length scale smears the displacement discontinuity over the respective finite element, i.e., it transforms a deformation jump into an equivalent inelastic strain. In [8], a characteristic length has been proposed which can be re-written as lc = (N ·GRADϕ)−1 , cf. [57]. Thus, if the ramp function ϕ is not chosen properly, lc can be negative giving unphysical results. This is particular true in a three-dimensional setting. As a result, some authors elaborated ideas for selecting the optimal ϕ. For instance, the method presented in [31] is equivalent to minimizing the length scale lc . Physically speaking, this strategy reduces artificial smearing of the localized deformation. In the present paper, the discontinuity is assumed to be parallel to the facets of the considered finite element. Hence, lc = (N · N ||GRADϕ||)−1 = 1/||GRADϕ|| > 0. Thus, the aforementioned numerical problems cannot occur. 2.2 Multiple strong discontinuities Conceptually, the modifications of the kinematics in case of multiple simultaneously active strong discontinuities are relatively straightforward. For linearized kinematics, first ideas can be found in [58]. Starting from Eq. (6), a superposition of ns displacement jumps leads to a deformation gradient in Ω± of the type ns X F̄ = F̂ − F̄ · J (β) ⊗ GRADϕ(β) , F̂ = 1 + GRADû. (15) β=1 6 J. Mosler, L. Stanković and R. Radulović Figure 2: Continuity of the singular surface ∂s Ω across finite elements: a) stochastically generated discontinuities; b) discontinuities parallel to the element facets (edges in a two-dimensional setting) Alternatively, extending Eq. (12)2 which holds for slip planes (J · N = 0) yields F̄ = F̂ − F̂ · ns X β=1 J (β) ⊗ GRADϕ(β) . (16) Clearly, both superpositions (15) and (16) are physically reasonable. Unfortunately and in contrast to a single discontinuity, Eqs. (15) and (16) are not equivalent, even if mode-II or mode-III failure is considered. A mathematical analysis of the difference between Eq. (15) and Eq. (16) could be performed by rewriting Eq. (15) into F̄ = A−1 : F̂ and Eq. (16) into F̄ = Ã−1 : F̂ and finally checking ||A − Ã−1 ||. Such an analysis is beyond the scope of the present paper. Instead, numerical experiments have been considered. More precisely, it turned out within all computations that both approximations predict almost identical results, cf. [59]. For this reason, the numerically more efficient formulation (16) will be applied in what follows (compare to Paragraph 2.1.2). So far, the normal vector N defining the local topology of the cracks or the slip bands has been assumed as known. Clearly, the position and orientation of the discontinuities depend on the considered material as well as on the loading state. In case of a single discontinuity per element, different approaches can be found in the literature. They can be subdivided into two classes: methods based on a continuous crack path such as [29, 30] and those without enforcing crack path continuity, cf. [31]. For a comprehensive overview, the interested reader is referred to [32]. Strictly speaking, a continuous crack path means that ∂s Ω is approximated in a continuous fashion. The field of displacement discontinuities is in any case discontinuous at the element boundaries within the framework of embedded strong discontinuity approaches. In the present paper, a numerical method without explicitly enforcing crack path continuity is chosen for two reasons. First, within each finite element up to four crossing displacement jumps are allowed to propagate (tetrahedron element with four facets). For such a case, the design of a continuous crack path is very complex and a subject of its own. Second and even more importantly, the novel approach proposed here should be applicable to mechanical problems showing a large number of simultaneously active discontinuities such as in fragmentation processes, see Subsections 5.1.3 and 5.2.2. To the best knowledge of the authors, such complex problems have not been analyzed numerically yet by an embedded strong discontinuity approach with a continuous crack path representation. Even if the crack path is modeled in a discontinuous fashion, the computation of four different normal vectors within a certain finite element is cumbersome. Usually, certain conditions such as orthogonality are enforced, cf. [32]. Here, and in line with classical interface formulations it is assumed that the crack surfaces are aligned with the facets or the edges of the respective finite element, i.e., the topology of possible discontinuities is a priori known. In contrast to interface elements, the topology of the mesh remains, however, fixed, i.e., no duplication of nodes is required. Clearly, this procedure guarantees a continuous approximation of the crack path, see Fig. 2. Furthermore, an arbitrary single displacement jump can be approximated reasonably by a linear combination of the facet modes. It turns out that the induced mesh bias is not very pronounced an can be effectively reduced (see Subsection 5.2.1). Alternatively, adaptive strategies such as those in [34–36] can be applied. However, such methods are beyond the scope of the present paper. Summarizing the aforementioned discussion, the orientation of the normal vectors within a certain finite element is a priori assumed to be of the type N (i) = GRADϕ(i) /||GRADϕ(i) ||. (17) Considering (linear) tetrahedron elements, two different failure modes are possible (two different types of ramp functions ϕ(i) ): one node in Ω+ (or equivalently, three nodes), or two nodes in Ω+ . While the first of those is associated with a facet, the latter corresponds to an edge. A variationally consistent embedded strong discontinuity approach 7 In addition to reducing the numerical cost for computing the unknown orientation of N , the proposed method shows two further advantages. First, it results in a symmetric tangent stiffness matrix which opens up the possibility of deriving variationally consistent update schemes. Such a method will be developed in Subsections 3.2.3 and 4.2. Second, as will be shown in Section 4, the numerical implementation avoids local snap-back problems as reported in [60] (originally, the authors call it loss of uniqueness, cf. [58]). 3 CONSTITUTIVE EQUATIONS This section is concerned with constitutive models describing the material response. While Subsection 3.1 is associated with points belonging to Ω± , i.e., the bulk material, Subsection 3.2 is related to traction-separation-laws. First, the fundamentals of interface models are briefly summarized in Paragraph 3.2.1. Subsequently, a physically sound class of constitutive models is presented in Paragraph 3.2.2. Finally, a novel variationally consistent approach is described in Paragraph 3.2.3. In line with so-called variational constitutive updates for classical stressstrain-based material models (see [16, 45, 47, 48]), all state variables, together with the unknown deformation mapping, follow jointly from minimizing a suitable energy functional. 3.1 Constitutive model for the bulk material Since the deformation gradient is regularly distributed in the bulk material (F = F̄ holds), standard stress-strainbased continuum models can be applied. For the sake of simplicity, an elastic response is assumed here. However, other, more complex constitutive models can be easily incorporated as well. Following the fundamentals of hyperelasticity and objectivity, a stored energy functional of the type Ψreg = Ψreg (C̄), C̄ := F̄ T · F̄ = C ∀X ∈ Ω± (18) is postulated. By utilizing the standard Coleman & Noll procedure [61–63], the well-known stress response τ = F̄ · S · F̄ T S = 2 ∂C̄ Ψreg , and (19) is computed. Here, S denotes the second Piola-Kirchhoff stress tensor and τ are the Kirchhoff stresses. In the numerical analyses presented in Section 5, a neo-Hooke-type energy functional Ψreg of the type 1 λ J2 − 1 − + µ ln (J) + µ trC̄ − 3 (20) Ψreg (C̄) = λ 4 2 2 is adopted, where J, tr, λ, µ are the determinant of the deformation gradient F̄ , the trace operation and the Lamé constants. 3.2 Constitutive model for material interfaces 3.2.1 Fundamentals of traction-separation laws In contrast to the bulk material, dissipative processes are taken into account within the interface ∂s Ω. More precisely, it is assumed that the localized deformations J are of purely irreversible, plastic nature. Clearly, other mechanical processes such as those related to an elastic or damage-induced response can be modeled in a similar fashion, cf. [13, 64, 65]. Assuming the interface model to be independent of the bulk material law, a stored-energy functional of the type Ψ(C̄, J , α) = Ψreg (C̄) + Ψsing (α) δs (21) is considered, cf. [39]. The localized nature of the deformation is reflected by the Dirac-delta distribution, see. [32, 51, 64, 66–68]. In Eq. (21), α is a displacement-like internal variable containing, among others, the displacement discontinuity J . The coupling of the constitutive model for points belonging to Ω± and that corresponding to X ∈ ∂s Ω is provided by the condition of traction continuity, i.e, T ± − T s = 0, ∀X ∈ ∂s Ω. (22) Here, T ± denotes the limits of the traction vector T at the negative and the positive boundary of the discontinuity and T s is the traction vector within the discontinuity. Since the identity T ± = P ± · N holds (P is the first Piola-Kirchhoff stress tensor), T ± depends on the bulk’s material model, while T s results from the interface law. Accordingly, Eq. (22) represents a physically sound coupling condition. It is noteworthy that due to the underlying 8 J. Mosler, L. Stanković and R. Radulović Petrov-Galerkin discretization of the ESDA, this compatibility condition is not a priori included, but has to be enforced explicitly, cf. [40, 69]. For developing constitutive models capturing irreversible mechanical processes, the constraints imposed by the second law of thermodynamics have to be fulfilled. For that purpose, the dissipation D = P : Ḟ − Ψ̇ is computed. After a straightforward calculation and after inserting the elastic response (19), the reduced dissipation inequality is finally obtained as h i D = T̄ · J̇ + q · α̇ δs ≥ 0, q := −∂α Ψsing , T̄ := Σ · N , Σ := C̄ · S. (23) Here, Σ are the Mandel stresses, q is a stress-like internal variable conjugate to α, T̄ is the push-forward of the traction vector T to the intermediate configuration and the superposed dot represents the material time derivative. Further details, including the analogy to crystal plasticity theory, can be found in [39]. By exploiting the analogous structure between Eq. (23) and that of standard (continuous deformation) finite strain plasticity theory, the space of admissible stresses ET̄ := (T̄ , q) ∈ R3 × Rn | φ(T̄ , q) ≤ 0 (24) is introduced. In Eq. (24), T̄ is the traction vector at the singular surface obtained from the bulk’s model, i.e., the ± sign has been dropped for the sake of conciseness. It bears emphasis that for the special choice, q = T̄ s and φ(T̄ , q) = ||T̄ − q||, φ = 0 is equivalent to the condition of traction continuity. Consequently, the concept of admissible stresses encompasses the condition of traction continuity leading to a more general formulation. For this reason, it is adopted in what follows. More details can be found in [39]. Based on Ineq. (23) and Eq. (24), physically sound evolution equations can be derived. More precisely, applying the postulate of maximum dissipation compute: min L, with T̄ ,q,λ L(T̄ , q, λ) := −D + λ φ δs . (25) yields J̇ = λ ∂T̄ φ, α̇ = λ ∂q φ. (26) In line with standard plasticity theory, the plastic multiplier λ is computed from the consistency condition φ̇ = 0. More general non-associative evolution equations can be derived by means of two additional convex potentials: a plastic potential g = g(T̄ , q) and a hardening/softening potential h = h(T̄ , q), i.e., J̇ = λ ∂T̄ g, α̇ = λ ∂q h. (27) 3.2.2 A prototype model In what follows, a class of constitutive models characterized by yield functions of the type φ = T̄ eq (T̄ ) − qi (αi ) − q0eq (28) will be considered. Accordingly, φ depends on an equivalent stress measure T̄ eq which is assumed to be a positively homogeneous function of degree one. For associative evolution equations, the dissipation corresponding to Eq. (28) reads in this case D = λ q0eq δs ≥ 0. (29) Hence, D is indeed positive and equally importantly, it can be computed in closed form. For several applications, it is convenient to decompose the traction vector into a normal and a shear part, i.e., T̄N := T̄ · N , T̄ S := T̄ − T̄N N . (30) Based on this decomposition, the equivalent stress measure can be additively split in a similar fashion: T̄ eq (T̄ ) = T̄Neq (T̄N ) + T̄Seq(T̄ S ). (31) Again, T̄Neq and T̄Seq are postulated to be homogeneous functions of degree one. If T̄Neq and T̄Seq are positively homogeneous of degree n and m, a positively homogeneous equivalent stress T̄ eq of degree one can be defined as q q (32) T̄ eq (T̄ ) = n T̄Neq(T̄N ) + m T̄Seq(T̄ S ) A variationally consistent embedded strong discontinuity approach 9 cf. [45]. Therefore and without loss of generality, the order of T̄Neq and T̄Seq is assumed to be one. The aforementioned class of yield functions is very broad and contains many important constitutive models. For instance, by setting 1 p T̄ S · H · T̄ S (33) φN (T̄N ) = κ T̄N , φS (T̄ S ) = 2 an anisotropic Drucker-Prager model suitable for the analysis of slip bands is obtained. Here, H is a tensor describing the material anisotropy. By way of contrast, the case TSeq = 0 corresponds to a Rankine-type yield function representing an admissible choice for the modeling of cracks. The class of prototype models described here is completed by suitable evolutions equations. While such equations can be derived in a relatively straightforward manner for mixed-mode failure, slip bands require further attention, i.e., mode-II or mode-III failure has to be enforced explicitly in that case (J · N = 0). Clearly, this requires a non-associative constitutive law. A physically sound method for deriving such a law is given by the framework of generalized standard materials, cf. [70, 71]. Accordingly, physically sound evolution equations (D ≥ 0) can be developed by using a convex plastic potential g and a convex hardening/softening potential h. Obviously, if g depends only on the shear components of the traction vector T̄ , mode-I failure is naturally excluded. For this reason, a plastic potential of the type g = h = T̄Seq(T̄ S ) − qi (αi ) − q0eq . (34) is suitable for the analysis of slip bands. Eq. (34) leads finally to the evolution equations J̇ = λ ∂ T̄Seq , ∂ T̄ α̇ = −λ (35) and the dissipation is computed as φ=0 D = λ (T̄Seq − qi ) δs = λ (q0eq − T̄Neq) δs . (36) In contrast to their associative counterparts, non-associative evolution equations entail an additional non-constant term in the dissipation inequality (compare to Eq. (29)). Remark 2 In the present paper, only isotropic hardening/softening models are considered. However, it is noteworthy that linear kinematic hardening of Prager-Ziegler-type can easily be included as well. For a geometrically linearized framework, further details can be found in [65]. Remark 3 For a function T̄ eq(T̄ ) being positively homogeneous of degree one, T̄Seq (T̄ ) = ∂T̄ g · T̄ is fulfilled (see Eq. (34)). Differentiating this identity once again yields ∂T̄2 g · T̄ = 0. (37) This identity which represents a compatibility condition between the stress vector and the flow direction will be utilized for checking consistency of the variational constitutive updates presented in the next section. 3.2.3 Variational principles for traction-separation laws In what follows, the constitutive model presented in the previous section, is recast into a variationally consistent framework. Within this framework all state variables, together with the unknown deformation mapping, follow jointly from minimizing an incrementally defined energy potential. In case of classical (continuous) associative finite strain plasticity, such methods have been proposed in [16, 45, 47], while for non-associative evolution equations first ideas can be found in [46]. Though variational constitutive updates show several advantages compared to other (standard) approaches such as the existence of a natural distance or the possibility of applying state-ofthe-art optimization schemes, they have not been developed yet for problems showing strong discontinuities, i.e., for cohesive traction-separation laws. In this paragraph, such a variationally consistent framework is elaborated. It can be applied to a broad range of different constitutive models. First, the associative case is considered. Subsequently, an enhanced postulate of maximum dissipation is advocated allowing to account for non-associative evolution equations as well. Several simultaneously active and possibly intersecting discontinuities are considered within all derivations. Conceptually and analogously to [16, 45, 47], the novel variational framework is based on minimizing the stress power Ẽ = P : Ḟ = Ψ̇ + D. However and in contrast to the continuous case, the Helmholtz energy Ψ contains, in addition to the standard regularly distributed part, a Dirac-delta distribution. The same holds for 10 J. Mosler, L. Stanković and R. Radulović the dissipation. Starting with the constitutive framework discussed in the previous paragraph and considering ns possibly interacting and crossing strong discontinuities, the stress power is given by Ẽ(ϕ̇, J̇ (1) (1) , α̇ (1) , T̄ ,q (1) , . . . , J̇ (ns ) (ns ) , α̇ , T̄ (ns ) ,q (ns ) + ) = Ψ̇reg (ϕ̇) + c ns X i=1 with χ(i) = χ(i) (T̄ (i) ns X (i) Ψ̇sing (α̇(i) ) δs(i) i=1 (i) D (J̇ (i) (i) , α̇ , T̄ (i) (i) ,q ) + ns X χ (i) δs(i) i=1 ! (38) , , q (i) ) being the characteristic function of the space of admissible stresses ET̄ (i) , i.e., χ(i) = χ(i) (T̄ (i) , q (i) ) = ( (i) 0 , if (T̄ , q (i) ) ∈ ET̄ (i) (i) ∞ , if (T̄ , q (i) ) ∈ / ET̄ (i) . (39) In Eq. (38), c is a constant parameter related to the relative position (or area) of the discontinuity within the respective finite element. It can be considered as c = 1 at the moment. Its precise physical interpretation will be explained later. According to Eq. (38), χ(i) vanishes for admissible stresses and Ẽ represents indeed the stress power. Inadmissible states are penalized by χ(i) = ∞ and thus, they are a priori excluded, if minimization of Ẽ is the overriding physical principle. In line with [16, 45, 47], the postulate of maximum dissipation (maximization of Ẽ with respect to the stress-like variables) is applied next, yielding E(ϕ̇, J̇ (1) (1) , α̇ , . . . , J̇ (ns ) (ns ) , α̇ ) = Ψ̇reg (ϕ̇) + c ns X i=1 (i) Ψ̇sing (α̇(i) ) δs(i) + ns X χ ∗(i) δs(i) i=1 ! . (40) Here and henceforth, χ∗(i) is the Legendre transformation of χ(i) , cf. [72]. Physically speaking, χ∗(i) is the dissipation, provided only admissible states and associative evolution equations are considered. Consequently, E is still the stress power, but now as a function of displacement-like variables only. As shown in Paragraph 3.2.2 (see Eq. (29)), for associative evolution equations based on a positively homogeneous yield function, χ∗(i) is obtained eq(i) in closed form as χ∗(i) = λ(i) q0 ≥ 0. Though such an assumption is usually made, it is not mandatory, cf. [16, 45, 47]. Similarly to [16, 45, 47], it can be shown that the minimizers of E are equivalent to the underlying associative flow rule and the corresponding evolution equations. More precisely, they follow naturally from the locally defined problem (1) (ns ) (1) (ns ) (J̇ , α̇(1) , . . . , J̇ , α̇(ns ) ) = arg inf E(ϕ̇, J̇ , α̇(1) , . . . , J̇ , α̇(ns ) ) . (41) ϕ̇=const Since variational principle (41) is not standard and furthermore, it depends on the parameter c, its consistency will be explicitly proved. However, a more suitable re-parameterization of the functional E is given first. Although the solution of Eq. (41) looks straightforward, it bears emphasis that several highly non-linear constraints related to the flow rule and the evolution equations have to be included. For instance, self-penetration has to be avoided a priori. Since only isotropic hardening/softening models are considered in the present paper, α(i) = α(i) is scalar-valued and thus, the respective constraint can be enforced trivially, i.e., α̇(i) = −λ(i) ≤ 0. Consequently, the only non-trivial constraint is associated with the flow rule J̇ (i) = λ ∂T̄ (i) φ(i) , (42) or more precisely, it is related to the flow direction. In what follows, two convenient parameterizations of the flow direction will be proposed. For elaborating suitable parameterizations of the flow direction, the underlying ideas are explained first by means of a von Mises model defined by the yield function φ = ||T̄ S || − q0eq . Without loss of generality, hardening or softening can be neglected, since those mechanisms do not affect the flow rule. The generalizations necessary for other flow rules will be discussed subsequently. Evidently, in case of a von Mises-type yield function, the resulting flow direction for discontinuity i reads (i) (i) ∂T̄ (i) φ with (i) T̄ S = T̄ S (i) n o ∈ M(i) := M (i) M (i) · N (i) = 0, M (i) : M (i) = 1 ||T̄ S || (i) := 1 − N (i) ⊗ N (i) · T̄ . (43) A variationally consistent embedded strong discontinuity approach 11 Accordingly, a straightforward three-dimensional parameterization of the flow direction depending on a so-called ˜ (i) 6= T̄ (i) is given by pseudo-stress vector T̄ q ˜ (i) = 3. ˜ (i) , dim T̄ ˜ (i) · (1 − N (i) ⊗ N (i) ) · T̄ ˜ (i) , λ(i) = √1 T̄ λ(i) ∂T̄ (i) φ(i) = 1 − N (i) ⊗ N (i) · T̄ b (44) Alternatively, an equivalent two-dimensional parameterization is obtained by enforcing the orthogonality between ˜ (i) and N (i) a priori, i.e., T̄ q 1 (i) (i) (i) (i) (i) (i) ˜ (i) · T̄ ˜ (i) , dim T̄ ˜ (i) = 2. ˜ ˜ T̄ (45) λ ∂T̄ (i) φ = T̄ , with T̄ · N = 0, λ = √ b The coefficient b in Eqs. (44) and (45) is usually non-constant. It can be computed by calculating the norm of Eqs. (44)1 or Eqs. (45)1 yielding (46) b = ∂T̄ (i) φ(i) · ∂T̄ (i) φ(i) . Consequently, for a von Mises-type or an isotropic Drucker-Prager-type model b is constant. More precisely, in case of von Mises plasticity, b = 1. Clearly, Eqs. (44) and (45) are suitable parameterizations of the flow rule. However, in many cases, a decomposition into an amplitude and into a direction is more convenient. For that purpose, Eq. (44) is slightly modified leading to ˜ (i) 1 − N (i) ⊗ N (i) · T̄ ˜ (i) ∈ R3 . T̄ (47) ∂T̄ (i) φ(i) ∈ ˜ (i) || || 1 − N (i) ⊗ N (i) · T̄ As a result, the flow rule (direction) can be parameterized as o n ˜ (i) ∂T̄ (i) φ(i) = ∂T̄ (i) g (i) ∈ ∂T̄ (i) g (i) ˜ (i) T̄ ∈ R3 . T̄ (48) Interestingly, this parameterization of the flow direction is always meaningful. It even applies to non-associative evolution equations or anisotropic plastic potentials. According to Eq. (48), the natural underlying idea is that the space of admissible flow directions is obtained simply by evaluating the flow rule for all admissible stress ˜ (i) 6= T̄ (i) is referred to as the pseudo stress vector. Obviously, it states. This interpretation explains that T̄ has to be enforced that the pseudo stress vector yields the same flow direction as its physical counterpart, i.e., ∂T̄ (i) g (i) |T̄˜ (i) = ∂T̄ (i) g (i) |T̄ (i) . In what follows, only flow rules based on a plastic potential in the form of a positively homogeneous function of degree one will be considered. In this case, the aforementioned compatibility between the pseudo stresses and the physical stresses can be checked by analyzing condition (37). Interestingly, the advocated novel parameterization of the flow rule is formally identical to that proposed in [45, 46] for standard (continuous deformation) plasticity theory. Inserting the novel parameterization (48) into the stress power (40) defines the alternative minimization problem ˜ (ns ) , λ(ns ) ). ˜ (1) , λ(1) , . . . , T̄ ˜ (ns ) , λ(ns ) ) = arg ˜ (1) , λ(1) , . . . , , T̄ (49) inf E(ϕ̇, T̄ (ϕ̇, T̄ ˜ (ns ) ,λ(ns ) ˜ (1) ,λ(1) ,...,T̄ T̄ While for associative evolution equations both frameworks of energy minimization (compare Eq. (49) to Eq. (41)) lead, in principle, to identical results, only the novel variational problem (49) can be applied to non-associative evolution equations. The reason is that the flow rule and the dissipation can be chosen independently. As a consequence, Eq. (49) can be considered as an enhanced or extended principle of maximum dissipation. More precisely, the stress power depending on a certain dissipation is minimized by simultaneously enforcing a suitable flow rule. However, it bears emphasis that also for associative models minimization principle (49) shows an important advantage: All highly nonlinear constraints related to the flow rule are already naturally included and thus enforced. Since variational principle (49) is non-standard and furthermore, it depends on the parameter c, consistency will be shown next, i.e., it is proved that the minimizers of Eq. (49) are equivalent to the underlying evolution equations and the yield function. According to Section 2, the kinematics associated with cracks and that related to shear bands are slightly different. For this reason, consistency is proved for both cases separately. Slip bands – mode-II and mode-III failure The functional to be minimized is the stress power. Thus, the strain rate is required. By utilizing Eq. (12)2 , it is computed as n1 ns i=1 i=1 X X ˙ (i) ˙ F̂ · J̇ ⊗ GRADϕ(i) . F̂ · J (i) ⊗ GRADϕ(i) − F̄˙ = F̂ − (50) 12 J. Mosler, L. Stanković and R. Radulović Hence, for a variation of Eq. (49) with respect to the plastic multiplier and the pseudo stresses, the continuous part of the displacement field can be considered as constant, i.e., û = const ⇒ ˙ F̂ = 0 ⇒ F̄˙ = − ns X i=1 F̂ · J̇ (i) ⊗ GRADϕ(i) . (51) T By utilizing the Mandel stresses Σ = F̂ · ∂F̄ Ψreg and assuming slip planes parallel to the facets of the finite elements (GRADϕ(i) ||N (i) ) (see Remark 7), the stress power reads ! ns ns ns X X X (i) (i) (i) (i) (i) (i) (i) (i) . (52) D q λ δs + (λ ∂T̄ (i) g ⊗ N ||GRADϕ ||) + c E = −Σ : {z } | {z } | i=1 i=1 i=1 (i) GRADϕ(i) J˙ In what follows, constitutive models falling into the range of the general framework as presented in Paragraph 3.2.2 will be utilized. Thus, the stress power (52) can be re-written as ns X ns X ns X (i) λ(i) (q0eq − (T̄Neq )(i) ) δs(i) . | {z } i=1 i=1 = D(i) , see Eq. (36) (53) Based on Eq. (53) consistency of the novel minimization principle can be analyzed. First, the stationarity condition of E with respect to plastic multiplier λ(i) is computed. It results in n h io (i) (i) eq(i) δλ E = −T̄S ||GRADϕ(i) || + δs(i) c q (i) + q0eq − (T̄Neq )(i) δλ(i) = 0. (54) E = −Σ : (λ(i) ∂T̄ (i) g (i) ⊗ N (i) ||GRADϕ(i) ||) + c {z } | {z } | i=1 (i) GRADϕ(i) J˙ q (i) λ(i) δs(i) + Unfortunately, Eq. (54) cannot be interpreted easily, since it contains, in addition to a regular part, a singular distribution. For that purpose, Eq. (54) is integrated over the domain of a finite element e. This leads to Z io h n (i) eq(i) eq (i) eq (i) (i) δλ(i) = 0. (55) c q + q − ( T̄ ) ||GRADϕ(i) || V e + A(i) δλ E dV = −T̄S s 0 N Ωe For the sake of simplicity, constant stresses and constant internal variables have been assumed. However, the more general case follows identical lines and it is included in what follows. As shown in the appendix, for threedimensional tetrahedron elements based on a linear approximation of the undeformed configuration and a linear ramp function ϕ defined by the shape functions of the corner nodes, the identity ||GRADϕ(i) || V e (i) As = c(i) geom (56) (i) is fulfilled. The parameter cgeom is related to the relative position of the slip bands within the respective finite element and does not depend on the size of the element. For instance, if the slip bands are chosen to be identical (i) to the facets of the finite elements, cgeom = 2. Hence, combining Eq. (55) with Eq. (56) leads to the natural choice c = cgeom and thus, the integrated stationarity condition of E with respect to the plastic multiplier of slip band i is finally obtained as Z (i) Ωe (i) δλ E dV = −A(i) δλ(i) = 0. s cgeom φ (57) Consequently, stability of E with respect to the plastic multiplier δλ(i) is equivalent to fulfilling the yield function at the discontinuity in a weak form (or continuity of the traction vector), i.e., Z (i) δλ E dV ≥ 0 ⇔ φ(i) ≤ 0. (58) Ωe The derivation of the stationarity condition reveals the physical interpretation of the parameter c: While in classical Embedded Strong Discontinuity Approaches (ESDA) the size of the slip band does not influence the results, cf. [11, 50, 50, 51], this is not the case within the novel variational formulation. Only if c = cgeom is chosen, both methods give identical results. Clearly, from a physical point of view, the area of the discontinuity should affect the softening behavior. In this respect, the novel variational formulation is more realistic. However, in the present A variationally consistent embedded strong discontinuity approach 13 paper, focus is on a variational re-formulation of the original ESDA. The influence of the slip band size on the solution is beyond the scope of this work and will be analyzed in a forthcoming paper. Fully analogously to the variation of the integrated stress power with respect to the plastic multiplier, station˜ (i) leads finally to arity with respect to the pseudo stresses T̄ (i) ˜ (i) = 0 δT̄˜ (i) E = −λ(i) ||GRADϕ(i) || T̄ · ∂T̄2 (i) g (i) ˜ (i) · δ T̄ T̄ (59) (i) ⇔ T̄ · ∂T̄2 (i) g (i) ˜ (i) = 0. T̄ Hence, the compatibility condition between the pseudo stresses and their physical counterparts is fulfilled as well (compare to Eq. (37)). As a result, the advocated novel minimization principle is indeed consistent. The fundamentals of the advocated novel variational constitutive update are completed by the stress response. By decomposing the minimization problem (49), into a local part inf E|û=const , the reduced potential Ered = inf ˜ (1) ,λ(1) ,...,T̄ ˜ (ns ) ,λ(ns ) T̄ ˜ (1) , λ(1) , . . . , T̄ ˜ (ns ) , λ(ns ) ). E(ϕ̇, T̄ (60) is defined from which the stresses can be derived, i.e., P = ∂F̄˙ Ered . (61) The general case including mixed-mode cracking Applying the same procedure as before to the general case (J · N 6= 0) shows that variationally consistency cannot be guaranteed anymore. This is closely related to the simplified kinematics (12) holding only for J · N = 0 and to the Petrov-Galerkin-type approximation of the underlying finite element formulation (see Remark 7). However, this effect is only relevant for large deformations. For this reason, focus is now on a geometrically linearized setting. In this case, the strain tensor reads ε̄ = [GRADû]sym − n1 X [ u]] (i) i=1 ⊗ GRADϕ(i) sym . (62) Denoting the stress tensor of the geometrically linearized theory as σ and the respective traction vector as T , the stress power is computed as (compare to Eq. (52)) ! ns ns ns X X X (i) (i) (i) (i) (i) (i) (i) sym (i) D q λ δs + +c (λ ∂T (i) g ⊗ N ||GRADϕ ||) E = −σ : i=1 i=1 i=1 (63) ns n io h X (i) eq(i) λ(i) = 0. −TS ||GRADϕ(i) || + δs(i) c q (i) + q0eq − (TNeq )(i) = i=1 Accordingly, the geometrically linearized framework leads to the same variational principle (compare Eq. (63) to Eq. (54)). However and in sharp contrast to the finite strain kinematics, the strain field (62) holds now for any material failure type. Consequently, mode-II and mode-III but also mode-I or mixed-mode material failure can be accounted for. The remaining steps necessary for proving variational consistency are omitted here. They are fully identical to those already presented in the previous paragraph. Remark 4 The proposed variational constitutive update requires four degrees of freedom per discontinuity. Three ˜ (i) = 3), while an additional unknown describes unknowns are necessary for defining the flow direction (dim T̄ (i) the amplitude of inelastic deformations (dim λ = 1). Thus, from a computational point of view, it is more efficient to parameterize the plastic deformations directly reducing the number of unknowns by one. The respective modifications are straightforward and have already been explained for a von Mises prototype model. Furthermore, (i) in case of slip bands, J (i) · N (i) = 0 and consequently, J̇ · N (i) = 0. As a result, enforcing this constraint in advance, leads to a further reduction of the number of unknowns. More precisely, the modeling of each slip band requires then a parameterization depending on only two degrees of freedom, i.e., (i) (i) (i) (i) J̇ = λM1 M 1 + λM2 M 2 , (i) (i) (i) Ṁ 1 = Ṁ 2 = 0 = 1 − ||M 1 || = 1 − ||M 2 ||, (M 1 × M 2 ) · N = 1 (64) (i) Again, the unknowns λM1 and λM2 can be computed conveniently by minimizing the associated stress power. Remark 5 A positively homogeneous plastic potential of degree one is considered within the present paper. It bears emphasis that this property is crucial for employing the parameterization (48) in terms of pseudo stresses. As stated in [46], the proposed decomposition of the flow rule into an amplitude and into a direction yields unique results only in this case. 14 J. Mosler, L. Stanković and R. Radulović Remark 6 By utilizing the chain rule, the identity ∂T̄ (i) g (i) ⊗ GRADϕ(i) = ∂Σ g̃ (i) ||GRADϕ(i) || (65) can be shown in a straightforward manner. Here, g̃ (i) is the plastic potential, but now in terms of the Mandel stresses, i.e., (i) g̃ (i) (Σ) = (g (i) ◦ T̄ )(Σ). (66) Hence, by employing again the concept of pseudo stresses, the modified flow rule (65) can be parameterized as o n (67) ∂T̄ (i) g (i) ⊗ GRADϕ(i) ∈ ∂Σ g̃ (i) ||GRADϕ(i) || Σ̃ ∈ R3×3 . Σ̃ Since this parameterization can be applied to any of the active yield surfaces, the influence of all strong discontinuities on the deformation gradient can be described by the plastic multipliers and the pseudo stresses, i.e., ns X i J̇ (i) ⊗ GRADϕ(i) = ns X i with λ(i) ∂Σ φ(i) ǫp := ns X i=1 Σ̃ ||GRADϕ(i) || = ǫ̇p (λ(1) , . . . , λ(ns ) , Σ̃) J (i) ⊗ GRADϕ(i) . (68) (69) This new parameterization leads to ns + dim Σ̃ unknowns. Consequently, in case of an elastically isotropic bulk material ns + 6 degrees of freedom have to be computed. If pseudo stress vectors are utilized, ns + 3 ns variables are required. Consequently, a pseudo stress tensor is computationally more efficient than its vector counterpart, if more than one discontinuity is active. Remark 7 The derivation of a variationally consistent strong discontinuity approach relies strongly on two terms. First, the constitutive model has to be driven by a certain variational principle. In the present paper, this principle is an extended principle of maximum dissipation in which non-associative evolution equations are enforced by using a parameterization by means of pseudo stresses. Second, the finite element formulation has to conserve this material symmetry (variational consistency). While this is automatically guaranteed for Bubnov-Galerkin-type approaches such as the extended finite element method or classical interface elements, the considered embedded strong discontinuity approach (ESDA) is based on a Petrov-Galerkin discretization. However, the ESDA is only symmetric provided the cracks or shear bands are parallel to the facets or the edges of the underlying finite element discretization. Thus, the assumption of cracks or shear bands being parallel to the elements’ facets and edges would not be required in case of the extended finite element method. In summary, the proposed variational constitutive update could also be incorporated into a broad variety of other finite element formulations based on strong discontinuities including the extended finite element method or classical interface elements. If the respective formulation was intrinsically variationally consistent (Bubnov-Galerkin-type), the resulting numerical approach would be automatically symmetric, regardless of the orientation of the discontinuities and the failure mode. For instance, the finite strain counterpart of the proposed mixed-mode model would be variationally consistent in this case for any discontinuity. Details about this consistency for other finite element formulations are beyond the scope of the present paper, but will be discussed in a forthcoming paper. 4 NUMERICAL IMPLEMENTATION This section is concerned with the numerical implementation of the embedded strong discontinuity approach presented in the previous sections. While in Subsection 4.1 an algorithmic formulation based on a modified returnmapping scheme is briefly discussed, a novel variational constitutive is elaborated in Subsection 4.2. Since the constitutive framework, including the variational principle, associated with slip bands and that related to cracks are formally identical (cf. Subsection 3.2.3), the numerical implementations will only be discussed in detail for one of such material failures. More precisely, focus is on slip bands. 4.1 Return-mapping algorithm The numerical implementations for finite elements based the embedded strong discontinuity approach can be classified into two groups, cf. [32]. The majority of the models relies strongly on the underlying Enhanced Assumed Strain (EAS) concept, cf. [28]. More precisely, the degrees of freedom associated with the continuous deformation û and those corresponding to the displacement discontinuities are computed simultaneously. For that A variationally consistent embedded strong discontinuity approach 15 purpose, a static condensation technique is usually applied, see [11, 51]. Alternatively, some authors advocated a numerical implementation based on a modified return-mapping scheme, cf. [39, 40, 57, 73]. By extensively using the analogy between the strong discontinuity kinematics and that related to multiplicative plasticity theory, it can be shown that the algorithms originally derived for standard (continuous) plasticity theory can also be applied to the discontinuous case. This is precisely the framework which will be followed in the present paper. According to Subsection 2.2, two different approximations exist in case of multiple strong discontinuities, compare Eq. (15) to Eq. (16). Both have been implemented. However, since their algorithmic formulations are similar, only one of those will be described in detail. Due to the efficiency of approximation (16), it is chosen as prototype. 4.1.1 Elastic predictor Assuming a purely elastic loading step, the material displacement jumps J (i) remain constant. It bears emphasis that this is not true for their spatial counterparts, i.e., J̇ With assumption J̇ (i) tr F̄ n+1 (i) =0 6⇒ [ u̇]] (i) = i d h F̂ · J (i) = 0. dt (70) = 0, the (elastic) trial deformation gradient at time tn+1 can be computed according to = F̂ n+1 − F̂ n+1 · ns X β=1 (β) J (β) , n ⊗ GRAD ϕ F̂ n+1 = 1 + GRAD ûn+1 (71) tr which, in turn, defines the right Cauchy-Green trial tensor C̄ n+1 , the second Piola-Kirchhoff trial stresses S tr n+1 and finally, the trial stress vector (β) tr tr (β) T̄ n+1 = C̄ n+1 · S tr n+1 · N (72) at internal surface β. Subsequently, the discrete loading condition (β) tr (β) tr φ(β) tr := φ(β) (T̄ n+1 , q n+1 ) > 0 with (β) tr q n+1 = q (β) n . (73) can be checked. Clearly, if φ(β) tr ≤ 0 for all beta, the trial step represents already the physical solution. If one of the yield functions is, however, active (φ(β) tr > 0), a plastic corrector step is required. In the next paragraph, such a corrector step is described in detail. For the sake of simplicity, it is assumed that the set of active yield surfaces Jact is known. Clearly, this is usually not the case. More precisely, the computation of this set is highly challenging itself and thus, a subject of its own, cf. [74]. Some comments concerning the employed active set search can be found in Paragraph 4.1.3. 4.1.2 Plastic corrector (β) (β) For active yield surfaces, the assumption J̇ = 0 was obviously not correct. Hence, J n+1 6= J (β) n . In line with the classical return-mapping scheme for continuous deformations, cf. [75, 76], a backward Euler integration is applied for approximating the flow rule and the evolution equations. More precisely, (i) (i) J n+1 = J (i) ∂T̄ (i) g (i) n + ∆λ n+1 (74) (i) (i) (i) αn+1 = α(i) + ∆λ ∂ g . q (i) n n+1 For solving the set of nonlinear equations (74), together with φ(i) = 0, ∀i ∈ Jact , Newton’s method is applied. However, a direct implementation of those equations would lead to a singular Hessian, if several discontinuities were active. This problem is fully analogous to that of crystal plasticity theory, cf. [74]. For that reason, the plastic strain-type tensor ns X p ǫ := J (β) ⊗ GRADϕ(β) (75) β=1 is introduced and Eq. (74)1 is replaced by ǫp n+1 = ǫp n + X β∈Jact ∆λ(β) ∂ T̄(β) g (β) |n+1 ⊗ GRAD ϕ(β) . (76) 16 J. Mosler, L. Stanković and R. Radulović Finally, the residuum R is defined with p R ǫ = −ǫp n+1 + ǫp n + and R := X ∆λ(β) ∂ T̄(β) g (β) |n+1 ⊗ GRAD ϕ(β) β∈Jact p Rǫ Rα , (77) (1) (1) ∂ q(1) g (1) |n+1 −αn+1 + α(1) n + ∆λ R α := , ... nact (nact ) (nact ) (nact ) −αn+1 + αn + ∆λ ∂ q(nact ) φ |n+1 nact := dim Jact . (78) (79) and the set of equations R=0 ∧ (β) φn+1 = 0 , β = 1, . . . , nact . (80) is solved by means of Newton’s method. Within this scheme, the variables (ǫp , q (i) , ∆λ(i) ) have been chosen as the independent unknowns. Although the linearizations necessary for an asymptotically quadratic convergence are quite lengthy, they can be computed in a standard fashion. For a single discontinuity they can be found in [39], while the case of multiple discontinuities is described in [59]. 4.1.3 Numerical aspects Choice of the unknown variables within the return-mapping scheme According to the previous paragraph, the variables (ǫp , q(i) , ∆λ(i) ) have been chosen as independent unknowns within the return-mapping scheme. (i) As already mentioned, the replacement of the stress vectors T̄ by ǫp is motivated by an analogy to crystal (i) plasticity theory: If T̄ had been chosen, the resulting Hessian would have been singular in case of multiple active discontinuities. However, the choice of ǫp as unknown variable is not the only choice. The Mandel stresses Σ could have been utilized as well. As a matter of fact, the original implementation was based on this parameterization. However, convergence problems due to the linearization of Σ had been observed. Such drawbacks are not present within the current implementation. Enforcing a positive plastic multiplier In several numerical examples, the converged return-mapping state showed a negative plastic multiplier. Even by employing the standard active set search strategy as briefly summarized in the following paragraph, such problems could not be eliminated. For this reason, ∆λ ≥ 0 was explicitly enforced by setting ∆λ = a2 . Active set search The set of potentially active singular surfaces within the return-mapping scheme is not necessarily constant, i.e., Jn+1 := {i|φ(i) > 0} 6= const. This is a well known problem frequently reported in crystal plasticity theory, cf. [74]. Usually, two different strategies are applied. For solving this problem, either the set Jn+1 := {i|φ(i) > 0} is updated during the iterations, or it is modified at a converged step and an additional Newton iteration is performed subsequently, cf. [75, 76]. Without going to much into detail, it is noted that both schemes are purely heuristic. However, the latter guarantees, at least, a quadratic convergence. Consequently, this approach is chosen. In the next section, a novel variational constitutive update will be presented. This method naturally solves the aforementioned problem. 4.2 Variational constitutive updates In contrast to the return-mapping scheme presented in the previous section, the novel variational constitutive update discussed here is directly based on the underlying extended principle of maximum dissipation, see Eq. (49) and Eq. (60). Conceptually, the overriding idea is astonishingly simple: The continuous variational principle is approximated by a consistent time integration yielding a consistent numerical implementation. According to Paragraph 3.2.3, the aforementioned extended principle of maximum dissipation is the minimization of the stress power. Hence, application of this principle within a numerical formulation requires a proper time discretization. In line with the return-mapping scheme presented in the previous subsection, a backward-Euler integration is applied here. More precisely, (i) (i) J n+1 = J n+1 + ∆λ(i) ∂T̄ (i) g (i) ˜ (i) T̄ n+1 (81) (i) (i) (i) (i) αn+1 = αn + ∆λ ∂q (i) g . n+1 A variationally consistent embedded strong discontinuity approach 17 Evidently, the only difference between Eq. (81) and Eq. (74) is the parameterization of the flow direction by means ˜ (i) . As pointed out in Remark 6, Eq. (81) can be replaced by an equivalent description of pseudo stress vectors T̄ 1 in terms of a pseudo stress tensor Σ̃, i.e., X ∆λ(i) ∂Σ̃ g̃ (i) ||GRADϕ(i) || (82) ǫp n+1 = ǫp n + i∈Jact Σ̃n+1 with ǫp as defined in Eq. (69). According to Remark 6, this parameterization is more efficient than that depending on pseudo stress vectors, if more than one discontinuity is active within the considered finite element. For that reason, parameterization (82) is chosen in what follows. However, efficiency is not the only advantage of this approach. More precisely, it will be shown that in this case, the resulting variational constitutive update is almost identical to that previously derived for standard (stress-strain-based) material models, cf. [45, 46]. Based on time integrations (81)2 and (82) the integrated stress power can be computed. For that purpose, Eq. (81)2 and Eq. (82) are inserted into the Helmholtz energy Ψ yielding Ψ(tn+1 ) =: Ψn+1 = Ψreg |n+1 + c ns X i=1 (i) δs(i) Ψsing |n+1 . (83) The second term necessary for computing the integrated stress power is the dissipation. With Eq. (36), a backwardEuler integration yields tZ n+1 ns X (i) . (84) ∆λ(i) δs(i) q0eq − (T̄Neq)(i) D dt = n+1 i=1 tn Finally, by combining Eqs. (81)–(84), the integrated stress power Iinc := tZ n+1 E dt = Ψn+1 − Ψn + c tn tZ n+1 D dt (85) tn is completely defined. Since the time discretization (81) is consistent, Eq. (85) is a consistent first-order approximation of the underlying functional (49). Accordingly, the novel variational constitutive update reads (∆λ(1) , . . . , ∆λ(ns ) , Σ̃) = arg inf Iinc (∆λ(1) , . . . , ∆λ(ns ) , Σ̃). (86) Consistency of the novel variational constitutive update (86) is not obvious. Consequently, it will be proved here. For that purpose, the stationarity conditions are analyzed. After some relatively straightforward computations, the gradients of the energy Iinc are obtained as eq (i) T ∂Iinc eq (i) eq (i) (i) ∂(T̄ N ) (i) (i) (i) e − ∆λ + c δs q0 − (T̄ N ) = − F̂ · ∂F̄ Ψ : ∂T̄ (i) g ⊗ GRADϕ ∂∆λ(i) ∂∆λ(i) eq (i) eq (i) eq (i) eq (i) (i) ∂(T̄ N ) (i) (i) − ∆λ q0 − (T̄ N ) = −(T̄ S ) ||GRADϕ || + c δs ∂∆λ(i) (87) and ns eq X T ∂(T̄ N )(i) ∂Iinc 2 (i) g̃ |Σ̃ ||GRADϕ(i) || − c ∆λ(i) δs(i) . (88) F̂ · ∂F̄ Ψe : ∂Σ =− ∂ Σ̃ ∂ Σ̃ i=1 Alternatively, a parameterization in terms of pseudo stress vectors leads to ∂Iinc ˜ (i) ∂ T̄ = = − i h T F̂ · ∂F̄ Ψe · GRADϕ(i) · ∂T̄2 g (i) |T̄˜ (i) −T̄ (i) eq − c ∆λ(i) δs(i) ∂(T̄ N )(i) ˜ (i) ∂ T̄ eq · ∂T̄2 g (i) |T̄˜ (i) ||GRADϕ(i) || − c ∆λ(i) δs(i) (89) ∂(T̄ N )(i) . ˜ (i) ∂ T̄ Fully analogously to Paragraph 3.2.3, the singular Dirac-Delta distributions are eliminated by integrating the equations over the respective finite element. For example, for constant strain tetrahedron elements, Eq. (87) is re-written as Z ∂Iinc eq (i) eq (i) eq e (i) (i) dV = −V ( T̄ ) ||GRADϕ || + c A q − ( T̄ ) − rλ (∆λ(i) ), (90) S s N 0 ∂∆λ(i) Ωe 18 J. Mosler, L. Stanković and R. Radulović while Eq. (89) yields Z Ωe ∂Iinc (i) dV = −T̄ · ∂T̄2 g (i) |T̄˜ (i) ||GRADϕ(i) || V e − rT (∆λ(i) ). ˜ (i) ∂ T̄ (91) Here, rλ and r T are two residuals depending on ∆λ, i.e., eq rλ (∆λ(i) ) (i) = c A(i) s ∆λ ∂(T̄ N )(i) ∂∆λ(i) eq (i) rT (∆λ ) = c A(i) s (i) ∆λ ∂(T̄ N )(i) . ˜ (i) ∂ T̄ (92) Hence, in the limiting case ∆t → 0, these residua converge to zero and as a result, stationarity conditions (90) and (91) simplify to Z ∂Iinc dV = 0 ⇔ φ(i) = 0 (93) ∂∆λ(i) Ωe and Z Ωe ∆t→0 ∂Iinc dV = 0 ∂ Σ̃ ∆t→0 ⇔ T̄ (i) · ∂T̄2 g (i) |T̄˜ (i) = 0. (94) As evident from Eqs. (93)–(94), the numerical approximation leads to the same stationarity conditions as the continuous model, cf. Eqs. (58)–(59), and thus, the algorithmic formulation is consistent. In line with Paragraph 3.2.3, the parameter c has been chosen as cgeom (see appendix). Clearly, strictly speaking, equivalences (93)–(94) hold only, if the stresses are constant within each finite element. For more general discretizations, these stationarity conditions represent the respective weak forms. It is noteworthy that Eqs. (93)–(94) are formally identical to those corresponding to variational constitutive updates for continuous models (based on stress-strain relationships), cf. [45, 46]. This analogy is even more pronounced, if a parameterization in terms of a pseudo stress tensor is employed. R For solving the highly nonlinear minimization problem inf Iinc (∆λ(1) , · · · , ∆λ(ns ) , Σ̃)dV standard optimization schemes can be applied. In case of gradient-type approaches such as BFGS-algorithms or conjugate R gradient methods, the function Iinc dV itself and its gradients (see Eqs. (87) and (88)) are required, cf. [77, 78]. If other algorithms showing a higher convergence rate such as Newton’s method are to be applied, the second derivatives of Iinc have to be computed as well. Although they are not given explicitly in the present paper, they R can be derived in a straightforward fashion. Once, the minimization problem inf Iinc (∆λ(1) , · · · , ∆λ(ns ) , Σ̃)dV is solved, the stresses can be computed in a standard manner. 5 NUMERICAL EXAMPLES The numerical robustness, the performance as well as the accuracy of the novel variational constitutive update are analyzed in this section by means of selected numerical examples. First, the propagation of shear bands is considered in Subsection 5.2. Subsequently, cracking in quasi-brittle structures is discussed in Subsection 5.2. Within all computations, 4-node tetrahedron elements based on a linear approximation of the continuous displacement field are used. 5.1 Modeling of slip bands 5.1.1 Single element test: variational constitutive update vs. return-mapping algorithm For demonstrating the robustness and the advantages of the novel variational constitutive update (Subsection 4.2) compared to a numerical implementation based on the return-mapping scheme (Subsection 4.1), a single element test as shown in Fig. 3 is analyzed. While for the bulk material a classical isotropic neo-Hooke-type model is utilized (Young’s modulus E, Poisson’s ratio ν), the slip bands parallel to the facets of the finite element are approximated by means of a von Mises-type yield function and associative evolution equations (g = φ, T̄Neq = 0, cf. Paragraph 3.2.2). Furthermore, the exponential softening law α(β) eq (i) (β) (β) (95) 1 − exp − q (α ) = q0 H is considered. A variationally consistent embedded strong discontinuity approach z y 19 F,u x L E ν q0eq H u L = = = = = = 0.5 1.0 · 107 0.2 500 0.0008 0.01 [m] [kN/m2 ] [kN/m2 ] [m] L L Figure 3: Single element shear test: geometry and material parameters After localization occurs, a certain iteration step is singled out for a comparative analysis between the novel variational constitutive update (Subsection 4.1) and the modified return-mapping scheme (Subsection 4.2). According to the respective trial state, the initial set of active singular surfaces Jtr act includes two potential slip bands, i.e., one with the normal in x-direction (β = 1) and one with the normal in y-direction (β = 4). The computed energy landscape Iinc as a function depending on the two unknown slip increments ∆λ(1) and ∆λ(4) is shown in Fig. 4. Interestingly, the two numerical approaches lead to different results. While the return-mapping solution signals two 3 · 10−4 1 2 ∆λ(4) [m] 0.0 −3 · 10−4 −3 · 10−4 0.0 3 · 10−4 ∆λ(1) [m] Figure 4: Single element shear test: two-dimensional contour plot of the potential Iinc as a function depending on ∆λ(1) and ∆λ(4) . Point 1 indicates the solution obtained from the return-mapping scheme, while point 2 defines the result corresponding to the proposed variational constitutive update. active surfaces showing the same amplitude of plastic slip (∆λ(1) , ∆λ(4) ) = (1.0386994·10−5, 1.0386994·10−5), the variational algorithm yields only one active surface (∆λ(1) , ∆λ(4) = 2.15982 · 10−5 , 0). A careful analysis reveals that only the energy associated with the variational approach corresponds to a minimum. The extremum as predicted by the return-mapping scheme is a maximum and hence, it is not the correct physical solution. It bears emphasis that if Jtr act is modified such that only the first slip plane is active, both numerical implementations lead to identical results. This example highlights the importance of computing the correct set of active slip planes. However, since such a method depends crucially on the underlying physics, it is not naturally included within a return-mapping scheme. More precisely, the correct solution can only be identified by checking the respective energy Iinc . By way of contrast, the variational constitutive update directly driven by that energy automatically chooses the correct set of active slip bands. 5.1.2 Numerical analysis of a strip with a circular hole Within the next example, the propagation of a single slip band in a steel made strip with a circular hole is numerically analyzed. The geometry, the boundary conditions as well as the material parameters are summarized in Fig. 5. As in the previous subsection, a standard neo-Hooke-type model (with material constants E and ν) is chosen for the elastic response, while a von Mises yield function with exponential softening is adopted for the 20 J. Mosler, L. Stanković and R. Radulović u, F 0.3 0.4 E ν σy H = = = = 20690 [kN/cm2 ] 0.29 45 [kN/cm2 ] 4000 [kN/cm3 ] 0.3 0.8 0.4 0.8 Figure 5: Numerical analysis of a strip with a circular hole: dimensions (in [cm]) and material parameters; thickness of the strip t = 0.1 cm mesh I (1020 elements) mesh II (2721 elements) mesh III (5210 elements) Figure 6: Numerical analysis of a strip with a circular hole: distribution of the internal variable associated with the relative shear sliding displacement for different finite element triangulations modeling of slip bands (see Eq. (95)). A similar problem has been investigated numerically by several authors, see e.g., [75]. Although the structure could be modeled by using plane stress conditions, a fully three-dimensional setting is considered. Three different displacement-controlled numerical analyses were conducted (see Fig. 6). Within the computations, up to four slip bands parallel to the facets of the triangulation were considered in each finite element. Since the stress state within this structure is highly inhomogeneous, an initial imperfection for triggering the localization process is not required. The final deformation as predicted by the different finite element triangulations, together with the distribution of the maximum relative shear sliding displacement, are shown in Fig. 6. As evident from Fig. 6, all discretizations predict a shear band with the same orientation. The angle between the normal vector of that band and the loading direction is about 45◦ . This orientation agrees well with that of the maximum shear stresses. The load-displacement diagrams as obtained from the three different finite element analyses are summarized in Fig. 6. Accordingly, a maximum force which is almost independent with respect to the underlying triangulation of about 3.6 kN is observed. The post peak response is also not significantly affected by the underlying finite element triangulation. Hence, the numerical approach gives mesh objective results. 5.1.3 Modeling of micro-shear bands – representative volume elements In this subsection, the robustness and efficiency of the proposed variational constitutive update in case of thousands of simultaneously active and crossing discontinuities is demonstrated. For that purpose, a representative volume element characterized by pre-existing micro slip bands is considered. The material parameters, together with the geometry and the boundary conditions, are given in Fig. 8. Again, the bulk is modeled by means of an isotropic neo-Hooke-type law (Young’s modulus E, Poisson’s ratio ν) and the slip bands are approximated by utilizing a von Mises model. In order to simulate the initial state of the material realistically, the yield strength q0eq is element-wise stochastically distributed. For the softening response, an exponential evolution of the type (95) is adopted. Two different unstructured discretizations, mesh I with 3588 and mesh II with 5884 constant-strain tetrahedral elements, are considered. Since the initial strength of the slip bands is stochastically distributed and furthermore, the facets of the elements define the set of admissible slip bands, both triangulations lead to different microstructures (the topology of pre-existing shear bands) and consequently, both will lead to different mechanical responses. However, since the discretizations are almost isotropic, i.e., no direction is preferred, and the distribution of the initial strength q0eq is assumed as uniform, both representative volume elements are macroscopically similar. A variationally consistent embedded strong discontinuity approach 21 4 F [kN] 3 2 mesh I (1020 elements) mesh II (2721 elements) mesh III (5210 elements) 1 0 0 0.005 0.01 0.015 0.02 u [cm] Figure 7: Numerical analysis of a strip with a circular hole: predicted load-displacement response for different finite element triangulations (see Fig. 6) u,F p h b p b d h p E ν q0eq H = = = = = = = = 4 4 8 1 1500 0.31 4.0 – 6.0 0.3 [cm] [cm] [cm] [kN/cm2 ] [kN/cm2 ] [kN/cm2 ] [cm] d u,F Figure 8: Triaxial compression test: geometry and material parameters As a result, they should show the same mechanical response on average. More precisely, the homogenized solution should be invariant with respect to the triangulation. The distribution of the shear band displacements is shown in Fig. 9. Accordingly and as expected, both tri- 6.6 · 10−2 9.9 · 10−2 9.2 · 10−4 8.1 · 10−4 αmax [cm] mesh I mesh II Figure 9: Triaxial compression test: distribution of the internal variable αmax 22 J. Mosler, L. Stanković and R. Radulović angulations lead to different results at the micro-scale. For analyzing the homogenized solution, the respective quantities have to be averaged. For that purpose, the load-displacement diagram is chosen. Since the reaction force is proportional to the average stress and the top displacement agrees with the average strain field, this diagram can be interpreted as the resulting macroscopic stress-strain law. As evident from Fig. 10, although both discretizations 250 Reaction force F [kN] II Fmax 200 I Fmax 150 100 mesh I mesh II 50 0 0 0.05 0.10 0.15 0.20 0.25 Displacement u [cm] Figure 10: Triaxial compression test: load-displacement diagram predict a different microscopic response, they yield identical results at the macro-scale. The estimated ultimate load for mesh I is reached at a vertical displacement of u = 0.12565 cm and has the magnitude F = 211.77 kN. For mesh II, the ultimate load is evaluated at F = 214.94 kN at a vertical displacement of u = 0.1339 cm. Accordingly, the difference between the two spatial discretizations is 1.5%. The example presented here demonstrated that the proposed variational constitutive update can easily handle more than thousands of active cracks or shear bands. Since usually numerous pre-existing defects can be observed at the micro-scale, the novel method seems to be promising for analyzing their effect on the macro-scale. 5.2 Modeling of cracking in brittle structures 5.2.1 Analysis of the mesh bias: mode-I cracking under simple tension Having presented the predictive capabilities of the novel variationally consistent strong discontinuity approach for the modeling of slip bands, focus is now on material failure in quasi-brittle structures. Within the present subsection, the mesh bias induced by assuming that the cracks and the shear bands are parallel to the facets and edges of the underlying finite element discretization is analyzed. For that purpose, one of the simplest examples is considered: uniaxial tension within a geometrically linearized setting. The elastic material response of the 1 cm×1 cm× 1 cm cube shown in Fig. 11 is approximated by an isotropic Hooke model (Lamé constants λ = 11074 kN/cm2 , µ = 8019 kN/cm2 ). Cracking is taken into account by means of a Rankine-type yield function. Here, crack initiation is assumed at a critical tension stress of ft = 20 kN/cm2 , while crack propagation is governed by the exponential softening law (95) showing a fracture energy of Gf = 0.1 KNm/m2 . Localization is triggered by a slight imperfection in the tensile strength. The results obtained by means of three different finite element discretizations are summarized in Fig. 11. Within this figure, the distribution of the internal variable associated with crack opening is shown. The first row in Fig. 11 is associated with the facet modes, i.e., cracks are enforced to be parallel to the facets of the finite elements. As evident from this figure and as expected, the macroscopic crack is orthogonal to the maximum principal stress direction. The respective load-displacement diagrams are given in Fig. 12 (left). Within these diagrams, the analytical solution of the boundary value is also provided. According to Fig. 12 (left), differences between the analytical solution and the finite element analyses in which the cracks are enforced to be parallel to the elements’ facets are now evident. More precisely, although the numerical solutions seem to be independent of the underlying discretization (mesh I-III), the respective ultimate loads are significantly higher than that of the analytical solution. However, this overprediction is not very surprising: Cracking is governed by the normal stresses acting at the elements’ facets. This stress is only identical to the externally applied stress, if the normal of the considered facet is identical to the maximum principal stress direction. Otherwise, the stress at that facet is always lower and thus, cracking occurs later. Although from the authors’ experiences, the aforementioned mesh bias is less pronounced in more complex boundary value problems, it is indeed important to develop advanced numerical approaches further reducing this A variationally consistent embedded strong discontinuity approach mesh I (629 elements) FE implementation 23 mesh II (1236 elements) mesh III (2005 elements) Only facet modes Facet and edge modes Facet modes and stress projection Figure 11: Numerical analysis of the simple tension test: distribution of the internal variable associated with crack opening for different finite element triangulations and numerical implementations Only facet modes analytical mesh I mesh II mesh III 20 15 10 5 0 analytical mesh I mesh II mesh III 25 F [kN] 20 Facet modes and stress projection 20 15 10 5 0 0.01 0.02 u [cm] 0.03 0 analytical mesh I mesh II mesh III 25 F [kN] 25 F [kN] Facet and edge modes 15 10 5 0 0.01 0.02 u [cm] 0.03 0 0 0.01 0.02 0.03 u [cm] Figure 12: Numerical analysis of the simple tension test: predicted load-displacement response for different finite element triangulations and numerical implementations (see Fig. 11) 24 J. Mosler, L. Stanković and R. Radulović artificial bias. As already mentioned with the introduction of the present paper, adaptive strategies could be used for that purpose, see, e.g., [34–36]. However, two alternative methods are briefly discussed here. The first of those, is straightforward: In addition to the facet modes, the edge modes are also allowed to be active. By doing so, the angle between the maximum principal stress direction and the normal vector of an active crack can be reduced. The solutions predicted by this approach are shown in Fig. 11 (second row) and Fig. 12 (middle). According to Fig. 11, the topology of the crack still agrees reasonably with that of the analytical solution. However and as evident in Fig. 12, the ultimate load has been improved significantly. Consequently, although the method shows indeed an intrinsic mesh bias, this bias is not very pronounced anymore. Alternatively, the mesh bias induced by enforcing the cracks to be parallel to the elements’ facets can be reduced by applying a stress projection techniques. The underlying idea of such a projection technique is that crack initiation at the critical facet should occur at the same time as for the analytical solution. One way of achieving this is to multiply the crack initiation stress by the cosine of the angle between the facet’s normal N F and the maximum principle stress direction N σ , i.e., q̃0eq = cos(N F , N σ ) q0eq . (96) For enforcing also an equivalence of the resulting macroscopic fracture energies, the original fracture energy at the respective facet has to be reduced by the cosine as well. It bears emphasis that the aforementioned projection technique is not restricted to any specific failure type. For instance, if slip bands are to be modeled, the vector N σ has to be chosen as the maximum principal shear direction. For guaranteeing consistency of the softening behavior, the fracture energy has again to be modified as explained for the Rankine-type model. Further details are omitted here, but will be presented in a forthcoming paper. The results obtained from the strong discontinuity approach based on facet modes combined with the aforementioned stress projection technique are summarized in Fig. 11 (third row) and Fig. 12 (right). Again, the orientation of the predicted macroscopic crack is in good agreement with that of the analytical solution (see Fig. 12). Furthermore, the corresponding load-displacement diagram agrees now also excellently with the analytical solution The mesh bias induced by enforcing the cracks to be parallel to the elements’ facets has been carefully investigated here. Three conclusion can be drawn from the respective analyses: • Although the results obtained by the strong discontinuity approach based on facet modes do not strongly depend on the finite element discretization, they can be still different compared to the analytical solution. • Therefore, advanced solution techniques are required. The simplest of those is to include also the edge modes. Alternatively, the aforementioned projection technique can be used. An additional method which has not been discussed in detail here is mesh adaption. • Although the difference in predicted mechanical response between the strong discontinuity approach based on facet modes and that including also edge modes is significant for the simple tension test, it is less pronounced in case of more complex boundary value problems. As a matter of fact, most of the examples presented here have been originally computed by using both approaches. However, since the respective results were almost identical, they will not be discussed in detail here. 5.2.2 Modeling of micro-cracks – representative volume elements Similar to Subsection 5.1.3, the robustness and efficiency of the proposed variational constitutive update in case of thousands of simultaneously active and crossing discontinuities is demonstrated here. However, focus is now on the evolution of micro-cracks. The material parameters, together with the geometry and the boundary conditions, are given in Fig. 13. According to Fig. 13, the representative volume elements consist of ceramic particles embedded within a polymer matrix. Two different stochastically generated volumes with the same ratio polymer/ceramics are considered. As evident in Fig. 13, mesh I has been discretized by using a relatively coarse triangulation compared to mesh II. The elements crossed by cracks and the distribution of the resulting macroscopic crack (crack width) are shown in Fig. 14. Accordingly, thousands of elements are enhanced by a discontinuous displacement field. Furthermore, depending on the underlying finite element discretization and microstructure, several spots of cracking at the micro scale can be seen. However, only one final macroscopic crack within the polymer matrix being orthogonal to the external loading direction will eventually form. Due to the variational consistency of the elaborated strong discontinuity approach, the resulting crack path can be interpreted as the one which is energetically favorable. The load-displacement diagrams are depicted in Fig. 15. Although both discretizations predict a different microscopic response, they yield identical results at the macro-scale. The estimated ultimate load is reached at a vertical displacement of 0.22 cm and has the magnitude 0.65 kN. A variationally consistent embedded strong discontinuity approach 25 mesh II mesh I Ceramics µ 9842 kN/cm2 λ 11554 kN/cm2 Fracture energy 0.32 kNm/m2 Crack initiation stress 60 kN/cm2 Polymer µ λ Fracture energy Crack initiation stress 112 kN/cm2 219 kN/cm2 0.12 kNm/m2 4 kN/cm2 Figure 13: Numerical analysis of crack initiation and propagation in a ceramic-polymer composite of size 0.3cm×0.4cm×2.0cm: geometry of the microstructures and material parameters mesh I Elements crossed by cracks mesh II Distribution of crack width Elements crossed by cracks Distribution of crack width Figure 14: Numerical analysis of crack initiation and propagation in a ceramic-polymer composite: elements crosses by micro cracks and the evolution of the equivalent crack width (max || [[u]] ||) for two different discretizations 6 CONCLUSIONS In the present paper, a novel embedded strong discontinuity approach has been proposed. In contrast to already existing models, the presented implementation allows to consider several interacting and crossing slip bands or cracks in each finite element. For deriving an efficient formulation of the kinematics, the effect of a single discontinuity was critically analyzed first. Based on this analysis a novel parameterization of the deformation gradient F was elaborated. It permits to compute the regularly distributed part of F in an explicit manner and therefore, it increases the numerical efficiency significantly compared to other approaches. For a single discontinuity in each finite element, this parameterization is mathematically equivalent to its original counterpart, while for several slip bands this does not hold anymore. However, numerical experiments indicated that the difference between the two formulations can be neglected even in this case. 26 J. Mosler, L. Stanković and R. Radulović 0.7 mesh I mesh II F [kN] 0.525 0.35 0.175 0 0 0.01 0.02 0.03 0.04 u [cm] Figure 15: Numerical analysis of crack initiation and propagation in a ceramic-polymer composite: loaddisplacement response as predicted by the discretizations shown in Fig. 14 The other novelty advocated in the present paper is the proposed variational constitutive update. In line with previously published works on variational updates for standard (stress-strain-based) material models, this method allows to compute the displacement discontinuities, together with the internal variables, jointly by minimizing a certain energy functional. This functional turns out to be the stress power. For providing enough flexibility to account even for non-associative evolution equations, the flow rule and the evolution equations were enforced a priori by utilizing a convenient re-parameterization and the dissipation functional was chosen independently of those equations. The resulting variational principle can be understood as an extended principle of maximum dissipation, since the flow rule and the dissipation can be chosen independently. This variational principle was discretized yielding an efficient numerical implementation inheriting all physical properties of the underlying continuous counterpart. The advocated modeling framework covers a broad range of different, also non-associative, plasticity models and accounts for several discontinuities within each finite element. In contrast to implementations based on a modified return-mapping scheme, no artificial active search strategies for determining the active discontinuities are required. The physical minimization principle itself specifies automatically and naturally this set. Interestingly, the proposed algorithmic formulation is formally identical to that of standard (continuous deformation) material models. This could be seen particularly when the flow rule was parameterized in terms of a pseudo stress tensor. For deriving the proposed variational constitutive update a geometry parameter c had to be introduced. It is related to the position of the discontinuity within the considered finite element. By choosing c = cgeom , the variational update gives identical results as the original embedded strong discontinuity approach. Therefore, this choice was made. However, the position of the discontinuity, or more precisely, the area of the slip band or the crack, does influence the softening behavior. Though this effect has not been analyzed in detail here, it is naturally included within the proposed variational update scheme and will be analyzed in a forthcoming paper. 7 APPENDIX In this appendix, equation ||GRADϕ|| V ! = cgeom = const (97) A is proved. For that purpose, an affine approximation of the undeformed configuration X ∈ Ω by means of natural coordinates ξ of the type X = Jξ · ξ + X0 (98) is considered. Here, J ξ is the Jacobian of that approximation. Hence, the volume V , the area A and the gradient of the ramp function ϕ can be computed using the well known equations V = det Jξ Vξ , GRADϕ = ∂ξ ϕ · J −1 ξ , A = det Jξ Vξ ||Aξ · J ξ−1 ||. (99) Inserting Eqs. (99) into the left hand side of Eq. (97), yields the identity ||∂ξ ϕ · J −1 ||GRADϕ|| V ξ || = . −1 A ||Aξ · J ξ || (100) A variationally consistent embedded strong discontinuity approach Mode ∂ξ Ni Ai X e1 ∈ Ω+ e1 1/cgeom e1 X e2 ∈ Ω+ e2 1/cgeom e2 X e3 ∈ Ω+ e3 1/cgeom e2 27 X e4 ∈ Ω+ −e1 − e2 − e3 1/cgeom (−e1 − e2 − e3 ) Table 1: Analysis of Eq. (100) for all different failure modes For analyzing Eq. (100), all possible failure modes are considered in Tab. 1. Here, cgeom is a geometry parameter which depends only on the relative position of the area Ai within the finite element. If the surface Ai is chosen to be identical to one of the facets, cgeom = 2. If the area approaches the opposite corner node, cgeom → 0. In between, a linear transition applies. Inserting Tab. 1 into Eq. (100) and Eq. (97), the proof is completed, i.e., ||GRADϕ|| V = cgeom . A (101) Acknowledgement This work was completed under the financial support of the Deutsche Forschungsgemeinschaft (DFG) through project BR 580/30 and the Integrated Materials Systems cluster within the Hamburg Excellence Initiative. The authors wish to express their sincere gratitude to this support. References [1] I. Milne, R.O. Ritchie, and B.L. Karihaloo. Comprehensive Structural Integrity, volume 3: Numerical and Computational Methods. Elsevier Science, 2004. [2] J. Mosler. 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