Earth and Planetary Science Letters 259 (2007) 469 – 485 www.elsevier.com/locate/epsl Nature of stress accommodation in sheared granular material: Insights from 3D numerical modeling Karen Mair a,⁎, James F. Hazzard b a Physics of Geological Processes, University of Oslo, Norway b RocScience Inc., Toronto, Canada Received 13 February 2007; received in revised form 4 May 2007; accepted 4 May 2007 Available online 10 May 2007 Editor: R.D. van der Hilst Abstract Active faults often contain distinct accumulations of granular wear material. During shear, this granular material accommodates stress and strain in a heterogeneous manner that may influence fault stability. We present new work to visualize the nature of contact force distributions during 3D granular shear. Our 3D discrete numerical models consist of granular layers subjected to normal loading and direct shear, where gouge particles are simulated by individual spheres interacting at points of contact according to simple laws. During shear, we observe the transient microscopic processes and resulting macroscopic mechanical behavior that emerge from interactions of thousands of particles. We track particle translations and contact forces to determine the nature of internal stress accommodation with accumulated slip for different initial configurations. We view model outputs using novel 3D visualization techniques. Our results highlight the prevalence of transient directed contact force networks that preferentially transmit enhanced stresses across our granular layers. We demonstrate that particle size distribution (psd) controls the nature of the force networks. Models having a narrow (i.e. relatively uniform) psd exhibit discrete pipe-like force clusters with a dominant and focussed orientation oblique to but in the plane of shear. Wider psd models (e.g. power law size distributions D = 2.6) also show a directed contact force network oblique to shear but enjoy a wider range of orientations and show more out-of-plane linkages perpendicular to shear. Macroscopic friction level, is insensitive to these distinct force network morphologies, however, force network evolution appears to be linked to fluctuations in macroscopic friction. Our results are consistent with predictions, based on recent laboratory observations, that force network morphologies are sensitive to grain characteristics such as particle size distribution of a sheared granular layer. Our numerical approach offers the potential to investigate correlations between contact force geometry, evolution and resulting macroscopic friction, thus allowing us to explore ideas that heterogeneous force distributions in gouge material may exert an important control on fault stability and hence the seismic potential of active faults. © 2007 Elsevier B.V. All rights reserved. Keywords: numerical modeling; force chains; fault gouge; earthquake mechanics 1. Introduction ⁎ Corresponding author. E-mail addresses: karen.mair@fys.uio.no (K. Mair), hazzard@rocscience.com (J.F. Hazzard). 0012-821X/$ - see front matter © 2007 Elsevier B.V. All rights reserved. doi:10.1016/j.epsl.2007.05.006 Faults in nature often have significant accumulations of granular fault gouge. The presence and evolution state of this gouge affects frictional strength and stability. Both these properties in turn determine the 470 K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 essential to investigate processes that may be operating in faults. There is growing evidence (Cates et al., 1998; Howell et al., 1999) that force distributions in sheared granular materials are highly heterogeneous i.e. particles do not all carry the same load. Direct observations of force chains in 2D photo elastic shearing experiments conducted at low stresses (e.g. Oda et al., 1982; Howell et al., 1999) indicate that enhanced load is preferentially carried on a limited number of particles that set up a network of force chains. Between these chains are shielded regions where particles carry reduced load. 2D numerical modeling (Cundall et al., 1982; Morgan and Boettcher, 1999; Aharonov and Sparks, 1999) confirms the prevalence of these features. The presence of force chains have been invoked to help explain the comminution of granular fault gouge (Sammis et al., 1987) and they offer a convenient way to interpret results from recent 3D laboratory shearing experiments at geophysically relevant conditions mechanical nature of slip along a given fault. To understand the processes that may be operating in faults with gouge it is useful to investigate sheared granular material. At present there are 2 main approaches: laboratory friction experiments; and numerical modeling. Laboratory friction experiments are generally conducted either at high stresses (MPa) (e.g. Karner and Marone, 2001) relevant to geophysical conditions or at relatively low stresses (Pa) (e.g. Losert et al., 2000). Despite the difference in conditions, the relatively low stress experiments may help elucidate particular micro processes that are relevant to higher stress experiments and hence natural fault systems. With some notable exceptions much of the numerical modeling work in this field has been conducted in 2D (Mora and Place, 1998; Aharonov and Sparks, 1999; Morgan and Boettcher, 1999). Recent work (Hazzard and Mair, 2003; Abe and Mair, 2005) has revealed the importance of out-of-plane motions and grain fracture in sheared granular systems and demonstrated that 3D numerical modeling is Table 1 Numerical simulations Simulation psd Diameter (std) d/H tn021g tn027g tn028g⁎ tn029g ⁎⁎ tn030g tn031g tn051g+ tn035g2 tn036g2 tn044g tn048g tn049g tn040g tn041g tn037g tn038g tn045g tn050g tn052g tn046g tn047g tn014f tn032f tn033f tn053f tn034f tn054f Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Gaussian Powerlaw D = 2.6 Powerlaw D = 2.6 Powerlaw D = 1.6 Powerlaw D = 1.6 Powerlaw D = 0.8 Powerlaw D = 0.8 254 (22) 254 (22) 254 (22) 254 (22) 254 (22) 254 (22) 254 (22) 254 (44) 254 (44) 254 (22) 254 (22) 254 (22) 400 (44) 400 (44) 500 (44) 500 (88) 500 (44) 500 (44) 500 (44) 600 (60) 600 (60) 0.068 0.068 0.068 0.068 0.068 0.068 0.068 0.068 0.068 0.068 0.068 0.068 0.108 0.108 0.135 0.135 0.135 0.135 0.135 0.162 0.162 μ (mean) μ (std) dil rate (std) 0.3538 0.00946 0.0115 0.0106 0.3573 0.3591 0.3539 0.35728 0.00967 0.01184 3.21 2.85 3.31 0.3585 0.3611 0.3553 0.3603 0.354 0.3612 0.3536 0.3517 0.3639 0.337 0.3608 0.3488 0.3618 0.3377 0.348914 0.347329 0.371007 0.364849 0.35881 0.35361 0.01286 0.0127 0.01138 0.01219 0.0117 0.01759 0.02355 0.0219 0.02833 0.02445 0.02413 0.03344 0.0308 0.03074 0.0090 0.0102 0.0157 0.0227 0.0165 0.0214 3.68 3.19 3.41 2.68 2.5 5.74 5.87 8.72 15.2 9.0 6.71 8.14 16.5 17.8 3.86 4.86 4.77 0.0198 0.0283 0.0287 0.0302 Fmax 3.13 7.74 Modeled particles have microproperties as follows: shear modulus 22 GPa; Poisson's ratio 0.25; and an inter-particle friction of 0.5. Normal stress is 5 MPa. Particle size distribution is Gaussian or Power Law. Mean and standard deviation (std) of particle diameter are given in μm. Initial layer thickness is 3.7 mm. d /h is scaled grain size where d = mean diameter and H is initial layer thickness. Dil rate is standard deviation (std) in dilatancy rate. Boundary is rough and 1 particle wide (except in the case where it is 2 particles wide = ⁎; 4 particles wide = ⁎⁎, or consists of a smooth boundary = +). K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 (Karner and Marone, 2001; Mair et al., 2002; Anthony and Marone, 2005). Although force chain networks are generally believed to exist in 3D sheared granular material, a key question concerns their morphology since they have not been directly observed to date. Blair et al. (2001), Mueth et al. (1998) and others present laboratory evidence for heterogeneous load distributions in static 3D granular assemblages. In these experiments, the non-homogeneous distribution of normal load at the boundary of a static pack (e.g. the stress minimum at the center of a sand pile, Vanel et al., 1999) suggests that force must be distributed unevenly throughout the pack. However, the morphology of force chain distributions is not directly apparent from these measurements and furthermore it is not clear how this result translates to 3D granular systems under shear. We can then ask the following questions: Are directed force networks (or chains) the dominant load bearing structure in sheared 3D granular systems? What are the key morphological features of these networks? Do they form linear elements, similar to those in 2D, or occur as more complicated surfaces? What influences their occurrence, abundance and nature? For example how do grain scale characteristics, properties and interactions influence the morphology of chains? Does the development, interaction and breakdown of force chain networks influence the macroscopic stress state and hence potentially control frictional strength and stability? Here we build on recent 3D numerical simulations demonstrating the importance of out-of-plane behavior (Hazzard and Mair, 2003) to investigate the nature of stress accommodation in sheared 3D granular materials. We focus on i) the visualization of contact force distributions in 3D to characterize their morphology; ii) the dependence of force distributions on particle size distribution, and strain history; and iii) the influence of force chains on macroscopic stress and hence friction. Our results show that directed force networks do exist in 3D numerical models of granular shear, their morphology reflects specific characteristics of the granular assemblage and their development and breakdown may be directly linked to changes in macroscopic sliding friction. 471 or field investigations of natural faults. Here we use the distinct element method (e.g. Cundall and Strack, 1979) in 3D to model shear in granular materials. Using this method, an assembly of spherical particles (perfect and indestructible) is considered. There are no bonds between particles, and they interact only at points of contact. This approach is particularly useful in modeling granular systems since individual grains can be represented by discrete particles in the model (e.g. Mora and Place, 1998; Morgan, 1999; Aharonov and Sparks, 1999). We prescribe particle and contact properties (Table 1) then load the numerical system. An explicit solution scheme updates particle positions and contact forces each time step. Under load, particles interact according to simple laws, however, the interactions 2. Method Numerical modeling is a very useful tool for investigating dynamic fault processes since it enables a degree of visualization and analysis of evolving systems that is not generally possible in laboratory experiments Fig. 1. Schematic of 3D numerical model at a) initial conditions prior to shear, and b) after 100% strain. Top and bottom boundary particles are shaded. A vertical marker band (shaded) is displaced to the right after shearing (shear direction indicated by arrow). The top boundary layer has been removed in (b) to view the marker band. The x, y, z coordinate system is shown — initial layer thickness in z direction is 3.7 mm. 472 K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 between thousands of particles result in a complicated emergent macroscopic response. For the research presented here, we use Particle Flow Code in 3 dimensions (PFC3D, 1999, Potyondy and Cundall, 2004) with a Hertz–Mindlin contact model (Cundall, 1988). The shear force at each individual contact is limited by the coefficient of interparticle friction we specify. If shear force is exceeded, then stable sliding occurs at that contact. Granular layers were generated by filling a prism with a random assembly of particles (generated from a ‘seed’ condition). Particle microproperties are assigned then the assembly is compacted to the desired stress state (here 5 MPa). The top and bottom boundaries are composed of a controlled layer of particles to provide roughness (Fig. 1a). We apply normal stress (in the z direction) to a frictionless wall that confines the particles at the top of the model. A servo-control mechanism is activated to adjust vertical (z direction) wall velocity in such a way to maintain the desired normal stress (total contact force on the wall divided by wall area). This is a similar mechanism to the one used in laboratory friction experiments. The lower boundary is fixed, the left and right sides are periodic boundaries and the front and back are frictionless walls. Shear stress is applied by driving the top boundary particles in the positive x direction at a constant velocity (see arrow Fig. 1b). Particles in the top boundary layer are free to move and rotate in all other directions. This applied stress generates shear in the granular layer. A marker band, originally vertical (Fig. 1a) illustrates particle displacement in the layer (Fig. 1b) after 100% strain. We monitor transient microscopic processes (e.g. particle motion, contact forces) as well as macroscopic properties (e.g. friction, dilation) for different initial configurations and applied loading conditions. Particle displacements, velocities and rotations are measured continuously during numerical simulation of shearing to allow visualization of dynamic particle interactions. The contact forces between adjacent particles are monitored allowing us to track the nature of internal stress accommodation for different initial configurations and as a function of loading. Total contact forces are plotted as 3D cylinders where thickness and shading is proportional to the magnitude of the total contact force and length indicates the distance between particle–particle centers. A suite of numerical simulations were carried out for the conditions specified in Table 1. Loading geometry and particle properties were chosen to be comparable to recent laboratory experiments (Mair et al., 2002). The simulations reached deformations up to 500% shear strain. The specific simulations carried out were motivated by the following goals: i) to investigate the style of stress accommodation during shear in the model layers, the sensitivity of this to particle characteristics Fig. 2. Different particle size distribution (psd) configurations used in numerical simulations: a) Gaussian; b) power law D = 2.6; c) power law D = 1.6; d) power law D = 0.8. K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 473 Fig. 3. (a) Friction versus shear strain data plotted for several model runs (tn027g, tn021g, tn030g) having the same Gaussian particle size distribution, with mean particle radius 125 μm (scaled grain size: d / H = 0.068, where d is diameter and H is layer thickness), identical applied loading conditions but a distinct starting (seed) model. This demonstrates the reproducibility of the model results. (b). Friction versus shear strain plotted for Gaussian and power law particle size distributions having exponents D = 2.6, 1.6 and 0.8. (c) Friction versus shear strain for Gaussian size distribution models having mean particle radii r = 125, 200, 250, 300 μm (corresponding to d / H = 0.068, 0.108, 0.135, 0.162 respectively). 474 K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 and the influence on resultant macroscopic behavior; ii) to determine the reproducibility of our model results for identical runs using different starting layers (seeds). The particle size distributions (psd) used in our simulations are illustrated in Fig. 2. A Gaussian size distribution (Fig. 2a) is obtained by having a standard deviation about a mean particle diameter. For the small standard deviation we choose, this results in a fairly narrow particle size range that approximates the size distribution used in recent laboratory experiments (Mair et al., 2002). Several different mean particle diameters (for a given layer thickness) were chosen in different models to investigate the influence of number of particles across a sheared granular layer (see Table 1). An approximation to a power law size distribution (Fig. 2b, c and d) is obtained by varying the relative abundances of four particle size fractions having diameters equal to 62.5 μm, 125 μm, 250 μm, 500 μm). The distribution is defined using the power law: Ni ¼ Nmax ⁎ðRmax =Ri ÞD where Ni and Ri are the incremental number (i.e. abundance) and particle radius respectively. Nmax and Rmax are abundance and radius of the maximum size fraction (i.e. 250 μm), and D is the power-law exponent (often referred to as the fractal dimension). The approximation of a power law size distribution by this method has been previously used by Morgan (1999) and others. In this way we approximate distributions with 3D power law exponent D = 0.8, 1.6, 2.6. These power law exponents are chosen to represent different stages of a fault maturity. D = 0.8 is indicative of an immature coarse granular breccia having a grain supported texture, whereas D = 2.6 is characterized by a fines dominated, matrix supported texture. Exponent D = 2.6 is an often cited distribution for mature natural fault gouges (e.g. (Sammis et al., 1987; An and Sammis, 1994) and possibly representative for a zone of recurring earthquakes. The influence of particle size distributions on macroscopic friction and contact force distributions are now presented in Section 3, along with the reproducibility of the numerical simulations. 3. Results 3.1. Macroscopic observations 3.1.1. Friction The macroscopic frictional response of several simulations, all having the same particle size distribution (psd) but different ‘seeds’ (or starting models), is shown as a function of shear strain in Fig. 3a where friction = shear stress / normal stress measured at the upper and lower boundaries. All models have a fairly stable friction with small, high frequency fluctuations about a mean level of ≈ 0.35. The characteristics of the macroscopic data are comparable for all the modeling runs shown, indicating good reproducibility of the basic mechanical data for simulations having the same loading conditions but different ‘seed’ or starting models. The friction responses for models with different particle size distributions are compared in Fig. 3b. We show friction curves for models having Gaussian size Fig. 4. Close up of dilatancy rate dh / dx and friction plotted as a function of shear strain. dh / dx is calculated from layer thickness (h) and shear displacement (x) data using a moving window of 100 points. K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 distributions and power law size distributions (with exponent D = 2.6, 1.6, 0.8). Note that the mean friction level is comparable for all the particle size distributions studied indicating that first order friction is insensitive to particle size distribution. Friction fluctuations about the mean level, however, are enhanced for the power law particle size distributions. This effect is relatively minor for the power law size distribution models with D = 2.6, however, fluctuations in friction are markedly enhanced for power law models with exponent D = 1.6 and D = 0.8. In addition to having higher amplitude, the friction fluctuations also have longer wavelength than in the Gaussian case. 475 In Fig. 3c we plot friction responses for several simulations with the same particle size distribution (Gaussian) but different mean particle diameters. This effectively compares models with different numbers of particles across a given layer width. The mean level of friction is similar for all datasets (approximately 0.35) however the fluctuations in friction about this mean level increase directly with the mean particle size (i.e. with reduced numbers of particles across a layer). In general, the fluctuations in friction appear symmetric, perhaps suggesting geometrical causes, rather than true stick slope motion that would tend to produce sawtooth curves. Fig. 5. (a) Total particle displacements in x direction (m) versus particle position in layer (in z direction in m) after 100% shear strain for entire models. Curves (smoothed) are compared for Gaussian and power law D = 2.6 particle size distribution models. (b). Total particle displacements (m) versus particle position in layer (in z direction in m) after 100% shear strain for power law D = 2.6 simulation shown in Fig. 5a. Thin x–z slices (0.25mm wide in y-dimension) from y-positions y = +2 mm, 0 mm and − 2 mm are shown to highlight any variability with y-position in the model. 476 K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 The size of fluctuations in friction is characterized by calculating the standard deviation about a mean friction level over a shear displacement interval of several mm (2–10 mm unless otherwise stated) in each numerical model. Standard deviation in friction as a function of particle size is summarized in Table 1. There is a direct correlation between standard deviation in friction i.e. size of the friction fluctuations, and the mean particle size for a given layer thickness. That is, the Gaussian models exhibit increasing fluctuations for less particles across a granular layer (see Fig. 3c). Similarly, the power law size distribution models show larger fluctuations for models with a higher proportion of larger particles (i.e. lower power law exponents of D = 0.8, 1.6, see Fig. 3b). This case also corresponds to a smaller number of particles making up a granular layer. These observations highlight the influence of the system size of the model on the results we present. 3.1.2. Assemblage dilatancy During shear, we continuously monitor changes in layer thickness of the model (in z direction) required to maintain constant normal stress. These dilation and compaction events are macroscopic reflections of dynamic particle motions associated with frictional sliding. Fig. 4 illustrates a good positive correlation between dilatancy rate (dh / dx) and friction fluctuations for a portion of the slip. This relationship is apparent in all simulations. Dilatancy rate is calculated using a moving window of 100 points where dh is change in layer thickness (h) and dx is change in slip (x) in the direction of shear. Fluctuations in dilatancy rate are further characterized by taking the standard deviation of dh / dx for a displacement interval 2–10 mm slip. These data, summarized for several model runs, indicate a clear direct correlation between the size of fluctuations and the mean particle radius (and hence system size) in Table 1. 3.2. Particle motions A 3D model sheared to 100% strain is shown in Fig. 1b. Displacement of a marker band suggests that particle motions decrease gradually from the top, to the bottom of the layer. This is the typical output from all the modeling runs. The cumulative displacements of individual particles are plotted as a function of position (z-coordinate) as smoothed curves in Fig. 5a. Both Gaussian and power law psd particle models have largest displacements in the upper region of the layer, gradually decreasing with depth. Localization of slip within the layers would be apparent on this plot as kicks or discontinuities disrupting the smooth curve. Neither model shows serious discontinuities hence we infer there is no evidence for persistent localization of slip within the layers. Since we have plotted entire layers in Fig. 5a, Fig. 6. Histogram showing distribution of contact force magnitudes for the different particle size distribution models indicated. Plot shows the probability density function P( f ) of forces f = F / Fmean i.e. contact force magnitude F normalised to mean contact force Fmean. The main plot is log– log. We use adaptive binning where each bin hosts a constant number for data points. Inset shows semi-log plot of the same data highlighting the behaviour near f = 1. Solid black line in inset is a fit of equation P( f ) ∝ exp(− Bf ) with slope B = 1.17. K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 it is possible that the spread of data, particularly in the power law psd case, may mask expressions of localized slip at a particular y-position. We have therefore also analyzed a series of thin x–z slices (0.25 mm thick in the y direction) from three different y-positions throughout the deformed layers. Examples are shown in Fig. 5b. 477 These three slices show a slightly different particle displacement characteristics as one moves through the layer (in the y direction), however, they show no clear indication of persistent slip localization. We conclude that the accumulated strain in the granular layers is essentially distributed and not persistently localized. Fig. 7. Contact forces plotted for a Gaussian psd model run (tn045) after 100% strain. Three different views are shown: a) xz-transport plane (front view); b) perpendicular xy plane (top view); c) xz-transport plane (rear view). Shearing direction is indicated by grey arrows in plots a) c), and normal force is applied vertically i.e. in the z direction. The bounding box of the model is indicated as white outline. The width and shading of contact force cylinders are proportional to the magnitude of total contact force (in Newtons) acting between adjacent particles. The length of the cylinders represents the particle– particle centers. Animations: Fig. 7-dynamic.avi (Appendix) shows the same figure initially in position a) and rotating clockwise about the z-axis. 478 K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 3.3. Contact forces An overview of contact forces i.e. total force between two adjacent particles, for different models is presented in Fig. 6. This figure shows a probability density function P( f ) of contact forces F normalised to mean force Fmean (i.e. f = F / Fmean). Data are shown as log–log (main plot) and semi-log (inset) graphs. There is a clear influence of psd in the different models. The Gaussian model shows a crossover around f = 1, see inset to Fig. 6. Large forces f N 1 are fit reasonably well by an exponential ‘tail’ and small forces f b 1 show different behavior consistent with expectations from previous work (e.g. (Aharonov and Sparks, 2002, Aharonov and Sparks, 2004). The power law D = 2.6 model shows rather different behaviour not fit by an exponential relationship (the D = 1.6 and D = 0.8 cases exhibit intermediate behaviour). The observation that the different psd model curves do not collapse onto a single line indicates that their force distributions are intrinsically distinct. An example of the spatial distribution of contact forces for a Gaussian psd model (tn045) after ≈ 100% shear strain is shown in Fig. 7. Three views of the complete model are shown to highlight the 3D nature of the contact force population. The width and shading of the 3D cylinders represents the magnitude of total contact forces and the length illustrates the distance between particle–particle centers. Orientation of the cylinders represents the orientation of total force between adjacent particles. Individual particles are not shown. There is preferred orientation of the larger contact forces oblique to the shearing direction, particularly well illustrated in Fig. 7c. It appears that the larger contact forces create a directed force network that preferentially carries stress across the sheared layer. Particles are clearly also supported by many contacts in Fig. 8. Contact force orientations weighted by force magnitude are presented as polar histograms for a Gaussian psd model (black) and a power law D = 2.6 model (grey) after 100% shear strain. Data are projected onto transport xz plane (diagram a, c) and the perpendicular xy plane (diagram b, d). Data are shown as a) and b) large contact forces, i.e. those with F / Fmean N 1; and c) and d) small contact forces i.e. those with F / Fmean b 1. Data are binned and smoothed using a 10 point average. The bin value is plotted as radius for a given angle. Wall forces are not included in this plot. K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 the xy plane perpendicular to shear (Fig. 7b), however, there is an absence of a directed network of larger forces acting in the y-orientation. Animation: Fig. 7-dynamic (Appendix) shows the same model output as shown in Fig. 7, the model is gradually rotated about the z-axis to further highlight the 3D spatial distribution of contact forces. The dominant orientations of contact forces weighted by magnitude are presented as rose diagram in Fig. 8. Data are shown for Gaussian and power law D = 2.6 models. The role of contact force magnitude on the preferred orientation is examined by decomposing the dataset into large and small forces. Given the crossover in the probability distribution of forces at f = 1 (Fig. 6 479 and previous work) we use this to discriminate small and large forces. When large (F N Fmean) contact forces are considered with respect to the transport xz plane (Fig. 8a), we see that both models show a peak force orientation at ≈50° to shearing direction. The Gaussian size distribution model is fairly focussed whereas the power law D = 2.6 model shows a wider range of orientations (highlighted by the ‘fat waist’ and reduced peak of the power law polar histogram plot). In the xy plane (Fig. 8b), the large contact forces in both models show a preferential orientation subparallel to shear (i.e. x direction). Interestingly, the small contact forces (F b Fmean) show a preferential orientation perpendicular to shearing (Fig. 8d) that is strongest in the Power Law Fig. 9. Interacting large contact forces are plotted in 3D model space as cylinders where width and shading scale with force magnitude. Three projections xz plane, xy plane and yz plane are shown for Gaussian model a) b) and c) and power law D = 2.6 d) e) and f ) models respectively. Both models have reached 100% shear strain. Sense of shear is indicated by arrows in diagrams a) and d) and × ○ mark c) and f ) signifying shear into (×) and out of (○) the page respectively. Animations: Fig. 9a-dynamic.avi and Fig. 9b-dynamic.avi (Appendix) show Gaussian and power law D = 2.6 models respectively rotated about the z-axis such that the 3D connectivity of the contact forces can be better visualized. 480 K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 D = 2.6 case. This indicates the possibility of a secondary supporting network of smaller contact forces that may be important to determining that overall contact force distributions. 3.4. Force networks To highlight the spatial distribution and connectivity of the main load bearing elements in the granular models, we analyzed the occurrence of the largest contact forces with proximity to each other. We use an algorithm to find the largest contact force, then check the neighboring particles for the next largest force, and move to that particle. The algorithm then checks the new neighboring particles for the next largest force and moves on etc until a boundary is reached. This procedure is repeated traveling in the opposite direction from the maximum force. The whole process is repeated 10–15 times to alleviate the potential problems caused by a spurious high contact force isolated near an edge. The result is a 3D spatial distribution of connected contact forces (Fig. 9) highlighting the manner in which stress is transmitted across the sheared granular layer. In keeping with recent literature, we call these interconnected high contact force features ‘force networks’. Fig. 10. Snapshots of contact forces of a Gaussian size distribution model (tn045) at increasing strain are shown for a thin 2D slice of the 3D model. The orientation of the xz plane is shown and sense of shear is indicated by arrows on first plot. The width and color of force cylinders scales to their magnitude. A subplot of friction (0.25–0.43) versus shear strain (50–100%) is shown for each snapshot, the orange dots indicating the current position on the friction strain curve. Areas of interest are circled in white. The gradual buildup of a directed force network in a) and b) corresponds to increasing friction level. A reduction in friction c) correlates to breakdown of a high force network. A force network then builds d) and breaks down e) associated with an increase and decrease in friction level respectively. Finally a directed force network starts to build in new location consistent with friction increase. Animation: Fig. 10dynamic.avi (Appendix) shows animation of force networks and macroscopic friction data evolving with increasing strain. K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 The force networks developed after 100% shear strain for Gaussian (Fig. 9a, b, c) and D = 2.6 power law (Fig. 9d, e, f) psd models are presented as plots of the xz-, xy- and yz planes respectively. Animations (Fig. 9a-dynamic and Fig. 9b-dynamic (Appendix)) show the force networks for the two psd models rotated about the z-axis to highlight the 3D structure and connectivity. The Gaussian model (Fig. 9a) shows force components directed obliquely to shear direction in the xz-transport plane. From above (Fig. 9b) and viewed along the shearing direction (Fig. 9c), we can clearly discern ≈4 discrete pipe like clusters of connected forces located near the corners of the model. They have little obvious component of out of plane force (y direction) and appear to have limited interaction with each other (although clearly they may be connected or supported by small forces). The power law D = 2.6 model (Fig. 9d, e, f) also shows connected force elements oriented oblique to shear direction (Fig. 9d) as expected from Fig. 8. Viewed from above (Fig. 9e) we see a greater degree of connectivity of the force elements perpendicular to shearing direction (y direction). Fig. 9f also highlights significant linkage of the contact force elements out-of-the plane and an absence of the spatially concentrated clustering shown by the Gaussian model. This results in a more sheet like or tree like high force network compared to the Gaussian psd model. In summary, Gaussian models appear to have several, spatially discrete pipe-like force clusters, whereas the power law size distribution D = 2.6 models develop more sheet like 3D force networks that have a higher degree of out-of-plane linkage. 3.5. Evolution of force networks with strain Fig. 10a–f shows a series of snapshots of contact force networks as a function of increasing strain from 50–100% for a Gaussian psd particle model (tn045). Animation: Fig. 10-dynamic (Appendix) shows a movie of this record. Total contact forces are plotted for a thin x–z slice of a 3D sheared granular layer. The subplots show friction versus shear strain for 50–100% shear strain, with the red dots indicating the stage reached on the friction curve for each snapshot. We have highlighted, using circles, the important contact force networks and interpreted them in terms of frictional behavior as follows. Fig. 10a shows friction increasing and a strong force system is developing oblique to the shearing direction; b) friction has just reached local maximum and the force element seen in previous snapshot is strengthened; c) friction has dropped to a local minimum value and the central part of the high force network has 481 significantly reduced in magnitude and perhaps broken this chain; d) friction is on the increase again and two subparallel high force elements have developed; e) a drop in friction appears to coincide with the breakdown or weakening of the contact force network highlighted; f) shows a slight increase in friction associated with the possible development or at least strengthening of a new (high magnitude) force network, oblique to shearing direction located to the left side of the layer. We suggest that these observations highlight a potentially important link between development and strengthening of strong force networks and an increase in macroscopic friction. Conversely we seem to see a reduction in friction when strong force networks are reduced or broken. The transition of the force network to a new orientation (Fig. 10f) highlights the transient nature of individual networks but the persistence of a pattern of strong force networks directed obliquely to the shearing direction. 4. Discussion 4.1. Friction and dilatancy The macroscopic friction values generated in our numerical particle models are comparable to those found in previous 3D numerical modeling (Hazzard and Mair, 2003). They are also approximately equivalent to the friction levels measured in laboratory shearing experiments carried out on idealized spherical particles in a nondestructive loading regime (Mair et al., 2002). The friction levels we record in 3D are higher than those generally found in previous 2D numerical models (e.g. (Morgan, 1999, Hazzard and Mair, 2003) and in idealized 2D experimental work (Frye and Marone, 2002). Frye and Marone (2002) showed that 3D granular friction exceeds 2D friction by an amount that is equal to the interparticle friction on the extra out-of-plane contacts that don’t exist in 2D. So the enhanced friction in our models (compared to 2D models) is likely due to extra surface friction interactions in the 3rd dimension. The friction level we measure is lower than laboratory values for sheared angular gouge material as is expected due to the roughness effects of angular grains. The influence of grain shape on macroscopic friction is discussed in detail in Mair et al. (2002) and in Anthony and Marone (2005). Our results are entirely consistent with those laboratory results. The fluctuations about the mean level of friction we see in 3D numerical models are significantly smaller in amplitude than for the 2D models (e.g. Morgan, 1999, Hazzard and Mair, 2003). Fluctuations are also closely and positively correlated to dilatancy rate (Fig. 4). 482 K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 Plausible explanations (Frye and Marone, 2002, Hazzard and Mair, 2003) involve particle reorganization mechanisms associated with shear. In 2D, all the particle motion needed to accommodate shear is constrained to be inplane (i.e. in z direction) resulting in large dilations in the z direction. In 3D, grain reorganizations are accommodated by in-plane motions as well as out-of-plane motion in the y direction (Hazzard and Mair, 2003), hence the dilation component normal to the shear direction (in z direction) and therefore the dilatancy rate (dh / dx) is markedly reduced. Since dilatancy rate is correlated to friction (Morgan, 1999, Frye and Marone, 2002, this study Fig. 4), we can completely explain the reduced friction fluctuations in 3D. Friction fluctuations, in our 3D models, are systematically smaller for increasing power law exponent D = 0.8, 1.6, 2.6 (Fig. 3c and Table 1). This implies a microstructural response to shearing (likely particle reorganization) that is sensitive to particle size (i.e. the number of particles across a granular layer) or particle size distribution. An increase in mean particle size (for a constant Gaussian psd model and a constant gouge layer thickness) produces systematically larger friction fluctuations (Table 1) as well as an increase in dilatancy rate fluctuations. This system size sensitivity (equivalent to the inverse of d / H in Table 1) is sufficient to explain the power law psd observations since a reduction in exponent D, leads to an abundance of largest size particles, a greater importance of interactions between large particles and an overall effective increase in mean particle size for the model layer of a given thickness (i.e. essentially a reduction in number of particles occurring across a layer). A similar observation was made in 2D by (Morgan, 1999) however, the friction fluctuations for a given size distribution in 2D were much larger. 4.2. Particle motions Particle displacements are accommodated throughout the particle layer for all the model configurations we consider. Even when thin slices of the entire model layer are analyzed, the cumulative particle motion decays more or less monotonically from the upper sheared region to the lower fixed boundary, with no convincing evidence for persistent localized slip planes developing. This suggests that, the entire layer actively participates in shear. Individual particle motions depend mainly on particle location with respect to the z-axis and appear to be relatively insensitive to individual particle size or particle size distribution (at least for the conditions we have investigated). This observation concurs with 2D numerical results (Morgan and Boettcher, 1999) showing that after substantial slip, finite strain was distributed throughout the layer. We note however, that Morgan and Boettcher (1999) also describe transient episodes of strain localization during their simulations that alternate between multiple and single slip planes. It is possible that transient episodes of local slip exist in our simulations but they are not discernible from our current analysis. Aharonov and Sparks (2002) also show evidence for fluctuations between distributed and localized slip from instantaneous velocity profiles, in 2D simulations of dense granular shear. A direct comparison with this study is not possible from our current measure of accumulated shear however this will be investigated in our future work. In the laboratory, strain localization is common and usually inferred from a transition to velocity weakening behavior (Beeler et al., 1996; Mair and Marone, 2000) or the occurrence of comminution bands interpreted as evidence of concentrated shear. We note however that experiments conducted at low (non-grain fracture) stress (Mair and Marone, 2000) maintain velocity strengthening behavior (interpreted as distributed shear) throughout and show no organization of gouge layers. This does not of course preclude short transient episodes of localized slip but results in cumulative behavior that is qualitatively consistent with our numerical results. These experiments (Mair and Marone, 2000) are indeed closer to our numerical conditions where grain fracture is not permitted. 4.3. Contact forces and force networks We demonstrate that networks, characterized by an organized set of highly forced contacts, exist and appear to be prevalent in 3D granular shear simulations. These features have been commonly observed in 2D numerical models (Morgan and Boettcher, 1999; Aharonov and Sparks, 1999; Aharonov and Sparks, 2004) and 2D photoelastic experiments (e.g. Howell et al., 1999) of granular shear. Our analyzes indicate a highly heterogeneous distribution of forces with a subset of contacts preferentially carrying higher than average force that represent the dominant load bearing structure in the sheared 3D granular layer. In addition to the large contact forces that transmit load preferentially in an orientation ≈ 50° to the shearing direction, we show evidence for a support network of small forces oriented perpendicular to shear. These contacts may be termed spectator particles although their influence on the overall force network is likely significant. These K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 observations are qualitatively consistent with those from 2D studies. The morphology of the connected high magnitude contact forces depends on the particle size distribution of models as well as mean particle size (i.e. system size of the model). A narrow (Gaussian) particle size distribution gives rise to a set of discrete pipe-like clusters containing high contact forces. These clusters plunge at ≈ 50° to shear and are not obviously linked in the y direction by highly forced contacts however we see evidence for low contact forces oriented in appropriate directions to provide an out of plane support network. A wide (power law) size distribution granular model results in more distributed tree or sheet-like force networks that have significant out-of-plane linkage and appear to enjoy a wider spread of orientations. When we consider large contact forces (e.g. Fig. 8a), we see that individual contact forces for power law D = 2.6 models enjoy a wider spread of orientations than Gaussian psd models. Power law D = 2.6 models also show a directed force network of small forces perpendicular to shear that is more developed than in the Gaussian models. We show that high load force networks evolve with strain and their individual elements may rapidly disintegrate and reform, although their overall pattern (i.e. spatial distribution and dominant orientation) appears to be persistent. These characteristics are consistent with 2D simulations (Morgan and Boettcher, 1999; Aharonov and Sparks, 1999) however the morphology of our 3D force networks is unsurprisingly more complicated. We show a link between evolution of contact force distributions and macroscopic friction (Fig. 10). It appears that the development or enhancement of a contact force network element that spans a granular layer (from top to bottom) is associated with an increase in macroscopic friction. In contrast, when a set of linked contact forces breakdown and a chain becomes disrupted, macroscopic friction level is decreased. This observation has potentially important implications for fault zone stability, if we believe that force networks indeed develop in natural faults containing granular gouge material. In our models, grain fracture is not permitted, however, the distribution of high magnitude contact forces and force networks may indicate the ‘fracture potential’ for different systems. According to the constrained comminution model of Sammis et al. (1987) neighboring grains of equivalent size are most likely to fracture. Our Gaussian psd models, having many similar sized particles, have many similar sized contact forces giving rise to significant ‘fracture potential’. In contrast, for power law D = 2.6 distributions, the smaller grains form 483 a matrix supported texture which effectively cushions the large grains. The wide distribution of contact forces and in particular the abundance of small forces reduces the fracture potential of neighbors. We suggest this may be a more stable configuration (Sammis et al., 1987) where breakage of neighboring grains is less likely. This is entirely consistent with the Sammis et al. (1987) hypothesis and results of Morgan and Boettcher (1999). On considering the mechanical implications of different force chain morphologies, we speculate that spatially discrete, pipe-like force networks (typical in Gaussian psd models) may be indicative of a ‘fragile network’. This means that if one contact fails, the entire linear cluster is at risk of failing. Since a single linear cluster accommodates a significant proportion of the total stress, it seems reasonable that this action may result in a macroscopic stress drop. By contrast, tree-like force networks, typical for power law psd models, may be more resilient. In their case, it is unlikely that failure of a single contact would cause complete network failure (or a macroscopic stress drop) since there is significant out-of-plane communication and support. In addition, the individual contacts have a wide range of sizes and orientations, hence there are a wider range of grains and contacts that can potentially offer support. 4.4. Comparison with laboratory predictions A relation between particle size distribution and the nature of stress accommodation was predicted from laboratory studies (Mair et al., 2002). From interpretations of laboratory friction data, Mair et al. (2002) suggested that narrow size distribution (i.e. Gaussian) granular systems have discrete, focused, well organized force chains, whereas wide psd (power law) systems have more spread out force chains. Our 3D numerical results completely support these predictions and indicate hybrid behavior for intermediate psd systems. Unlike laboratory data that commonly show highly repetitive stick–slip behavior (e.g. Karner and Marone, 2000; Mair et al., 2002) there is a notable lack of repetitive stick–slip in our 3D numerical simulations. This discrepancy can be accounted for by the constant velocity boundary condition used in simulations. This effectively simulates an infinite stiffness loading frame, whereas a more compliant loading frame would allow stick slip motion. An adapted boundary condition (other than a constant velocity boundary condition) would be required to reproduce laboratory-like stick slip (e.g. Aharonov and Sparks, 2004). Another relevant consideration, given the strong laboratory evidence for time dependent healing between 484 K. Mair, J.F. Hazzard / Earth and Planetary Science Letters 259 (2007) 469–485 dynamic slip events (Dieterich, 1978; Mair et al., 2002), is the lack of time dependent contact processes operating in our model. This is a clear limitation of the model since without time dependent contact evolution, stick slip would be purely geometric and not particularly realistic. 2nd order time dependent processes are therefore extremely important and will be added to numerical simulations in future. Importantly, the nature of contact forces and their persistent use of individual particles will very likely influence contact healing mechanisms thus understanding force chain morphology is an essential first step in the quest for more realistic time dependent models. 4.5. Application, limitations and future work Numerical simulations on sheared assemblies of solid spherical particles that don’t break or evolve, are clearly a marked simplification of natural fault zones. To properly model fault gouge, we need rough, 3D particles that are permitted to break and whose contact properties can evolve with time to simulate contact healing processes. Additional complexity is necessary in numerical models however it must be added gradually with each additional level of intricacy being validated through comparison with laboratory experiments or field observations so that we fully appreciate the relative importance and interaction of the individual process. In this manuscript we have concentrated on visualizing contact force distributions produced under 3D granular shear. We did not attempt to simulate grain breakage, but see Abe and Mair (2005) for recent 3D grain fracture modeling results. Although there is no gouge evolution per se, we justify our non-fracture approach by investigating different ‘end member’ particle size distribution models that may reveal the behavior that is dominant at different stages of gouge evolution. We successfully simulated 3D granular shear, producing first order results that are validated by nonfracture laboratory tests (on idealized granular materials) confirming the mechanical behavior produced by our simulations. Although our 3D numerical approach was inherently simple, and certainly lacked 2nd order complexities, it represents an important step forward from 2D simulations and highlights the necessity of 3Dmodels for investigating frictional shear. We show diversity of stress accommodation during 3D shear and provide a benchmark database for future 3D granular shear simulations that add complexities such as e.g. time dependent contact evolution, grain fracture, grain angularity. 5. Conclusions Our 3D numerical simulations of sheared granular material demonstrate the prevalence of 3D directed force networks that preferentially support load across the sheared granular layers. We show that force network morphologies are sensitive to particle characteristics, in particular grain size distribution, confirming recent predictions based on laboratory friction experiments. Models having a narrow (i.e. relatively uniform) psd exhibit pipe-like force clusters with a persistent orientation oblique to shearing, whereas wider psd models (e.g. power law D = 2.6 size distributions) show tree-like force networks that have abundant out-of-plane linkage and take a wider range of orientations. Highly localized discrete force clusters may be more ‘fragile’ than treelike force networks, with the failure of an individual contact more likely to lead to sample failure. Macroscopic friction level is insensitive to the nature of stress accommodation, however, force network morphology and evolution appears to be linked to fluctuations about this mean level of macroscopic friction. We therefore conclude that heterogeneous force distributions, if they exist in natural fault gouge material, may exert an important control on fault stability and hence the seismic potential of active faults. Acknowledgements We thank A. Heath, R.P. Young and Itasca Consulting for European Commission funded software development through the SAFETI project (Nuclear Fission Program). We are very grateful to M. Dabrowski and E. Jettestuen (both PGP) for assistance in visualization and plotting of force chain distributions. We appreciate reviewers’ insights that helped improve the final manuscript. K. Mair was funded by a Royal Society Dorothy Hodgkin Fellowship held at University of Liverpool and more recently by the Center for Physics of Geological Processes (PGP) at the University of Oslo. Appendix A. Supplementary data Supplementary data associated with this article can be found, in the online version, at doi:10.1016/j.epsl. 2007.05.006. References Abe, S., Mair, K., 2005. 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