31 Theory and simulation of micropolar fluid dynamics J Chen*, C Liang, and J D Lee Department of Mechanical and Aerospace Engineering, The George Washington University, Washington, DC, USA The manuscript was received on 29 October 2010 and was accepted after revision for publication on 21 January 2011. DOI: 10.1177/1740349911400132 Abstract: This paper reviews the fundamentals of micropolar fluid dynamics (MFD), and proposes a numerical scheme integrating Chorin’s projection method and time-centred split method (TCSM) for solving unsteady forms of MFD equations. It has been known that Navier–Stokes equations are incapable of explaining the phenomena at micro and nano scales. On the contrary, MFD can naturally pick up the physical phenomena at micro and nano scales owingto its additional degrees of freedom for gyration. In this study, the analytical and exact solutions of Couette and Hagen–Poiseuille flow are provided. Though this study is limited to the steady flow cases, the unsteady term in the MFD has been taken into account. This present work initiates the development of a general-purpose code of computational micropolar fluid dynamics (CMFD). The discretization scheme in space is demonstrated with nearly second-order accuracy on multiple meshes. Keywords: micropolar fluid dynamics (MFD), microfluidics, computational micropolar fluid dynamics (CMFD), finite difference method, projection method, time-centre split method (TCSM) 1 INTRODUCTION Research activities aiming to explore fluid physics at nano and micro scales have been increasing over the past 20 years. There are existing literatures that have analysed fluid mechanics in microchannels and micromachined fluid systems (e.g. pumps and valves) using Navier–Stokes equations [1]. Fluid flow moves differently in the micro scale than that in the macro scale. There are situations in which the Navier–Stokes equations, derived from classical continuum, become incapable of explaining the micro scale fluid transport phenomena [2]. The reason is that when the channel size is comparable to the molecular size, the spinning of molecules, which have been observed in molecular dynamics (MD) simulations [3, 4], affects significantly the flow field. This effect of molecular spin is not taken into account in the Navier–Stokes equations. A *Corresponding author: Department of Mechanical and Aerospace Engineering, The George Washington University, Washington, DC, 20052, USA email: jikembo@gwmail.gwu.edu novel approach, microcontinuum theory, consisting of micropolar, microstretch, and micromorphic (3M) theories, developed by Eringen [5–8] and Lee et al. [9], offers a mathematical foundation to capture such motions. In 3M theories, each particle has a finite size and contains a microstructure that can rotate and deform independently, regardless of the motion of the centroid of the particle. The formulation of the micropolar theory has additional degrees of freedom – gyration – to determine the rotation of the microstructure. Hence, the balance law of angular momentum are given for solving gyration. This equation introduces a mechanism to take into account the effect of molecular spin. The micropolar theory thus represents a promising alternative approach to numerically solving micro scale fluid dynamics that can be much more computationally efficient than the MD simulations. Papautsky [10] was the first one to adopt the micropolar fluid model to explain the experimental observation of volume flow rate reduction for the flow in a rectangular microchannel. In addition, Gad-El-Hak [11] explicitly states that microscale flows are essentially different from flows in the Proc. IMechE Vol. 224 Part N: J. Nanoengineering and Nanosystems 32 J Chen, C Liang, and J D Lee macroscale. The Navier–Stokes description is incapable of explaining the observed effects. The calculated hydrodynamic quantities for a fluid as a classical continuous medium (from Navier–Stokes equations) differ significantly from those obtained experimentally, and the difference increases with the decrease of the channel diameter in the flow through narrow channels. There are many recent developments of micropolar theory that have focused on numerical analysis of Hagen–Poiseuille flow and its applications on nano- and microfluidics, including Papautsky [10], Ye [12], and Hansen [13]. However, all of the studies considered only a steady state solution and did not solve for pressure. Their methods are therefore unable to solve unsteady flow problems. In this work, a numerical scheme for solving the unsteady form of micropolar fluid dynamics (MFD) is developed. A detailed explanation for the physical meaning of all coefficients is provided. Analytical and exact solutions for flat-plate Hagen–Poiseuille flow and flat-plate Couette flow are discussed against numerical solutions. As a numerical example, lid-driven cavity flow is simulated by solving the micropolar equations. Nomenclature can be found in the Appendix section. 2 In microcontinuum field theories, the material points of the fluid are considered to be small deformable particles. The macromotion and micromotion of the material particles are expressed by [5–9] xk 5xk ðX ; t Þ; k51;2;3 (1) jk 5x kK ðX; t ÞK ; K 51;2;3 (2) Since the material particles are considered to be geometrical points with mass and inertia, x kK ðX ; t Þ here represents the three deformable directors attached to the material particles. For a material body called a micropolar continuum, the micromotion is further reduced to a rotation. In other words, its directors are orthonormal and rigid, that is xkK x kL ¼ dKL akl ¼ vl;k 1elkm vm ; bkl ¼ vk;l (3) For fluid flow, deformation-rate tensors are crucial to the characterization of the viscous resistance. Deformation-rate tensors may be deduced by simply calculating the material time-rates of the Proc. IMechE Vol. 224 Part N: J. Nanoengineering and Nanosystems (4) vm is the gyration vector, which is the additional rotating degree of freedom for a particle. Because the mean free path of fluid is larger than solid, each fluid molecule has more space to move around. When a group of fluid molecules or a single fluid molecule spins, the effect of the gyration vector appears and cannot be observed in classical continuum theory. Therefore, the gy ration vector is a good candidate for determining the physics at the micro scale while adopting the continuum assumption. The balance laws of the micropolar continuum can be expressed as [5, 6]: Conservation of mass r1rv _ l;l ¼ 0 (5) Balance of momentum tkl;k 1rðfl v_ l Þ ¼ 0 (6) Balance of angular momentum mkl;k 1elmn tmn 1rðll iv_ l Þ ¼ 0 MICROPOLAR FLUID THEORY x kK xlK ¼ dkl ; spatial deformation tensors. For micropolar fluid, two objective deformation-rate tensors are [5–8] (7) Conservation of energy re_ tkl ðvl;k 1elkr vr Þ mkl vl;k 1 qk;k rh ¼ 0 (8) Clausius–Duhem inequality qk _ _ rðc1h uÞ1t u;k 0 kl akl 1mbl blk u (9) The linear constitutive equations for Cauchy stress, moment stress, and heat flux are derived to be [5, 6] tkl 5 pdkl 1l trðamn Þdkl 1ðm1kÞakl 1malk [ pdkl 1D tkl a mkl 5 eklm u;m 1a trðbmn Þdkl 1bbkl 1gblk u K qk 5 u;k 1aeklm vm;l u (10) Substitute the constitutive equations into all the balance laws, and the governing field equations of MFD can be rewritten as [5–8]: Conservation of mass r1rv _ l;l ¼ 0 (11) Theory and simulation of micropolar fluid dynamics Balance of momentum rp1ðl1mÞrr v1ðm1kÞr2 v 1kr3v1rf ¼ rv_ 33 D ðxk;K Þ ¼ vk;l xl;K Dt (12) Balance of angular momentum _ (13) ða1bÞrr v1gr2 v1kðr3v 2vÞ1rl ¼ riv D ðx Þ ¼ vkl xlK Dt kK (16) If the micromotion equals the macromotion, that is, xl,K = xlK, this leads to vk;l ¼ vkl (17) Conservation of energy re_ D t : aT m : b1r q rh ¼ 0 (14) In micropolar theory, the gyration tensor is antisymmetric, that is The microinertia is defined as vkl ¼ eklm vm i [ h2jk jk i R 0 r j j dv0 5 2 R k0 k 0 r dv This leads to [l 1 vm ¼ elkm vk;l 2 (15) 2 and l represents a hidden length scale, which can be at the level of molecular scale, Kolmogorov micro scale, or Taylor micro scale. These small-scale activities can possibly be measured experimentally using Largragian velocities of tracer particles [14,15]. CONNECTION WITH NAVIER–STOKES EQUATIONS Vorticity is considered as the circulation per unit area at a point in a fluid flow field. It is a common practice in general vector analysis to describe a vector function of a position having zero curl as irrotational in view of the connection between r 3 v and the local rotation of the fluid [16]. It has another physical interpretation: vorticity measures the solid-body-like rotation of a material point P’ adjacent to the primary material point P [17]. In micropolar fluid dynamics, gyration has a similar concept. One can interpret the motion in MFD using the earth motion as an example. In the motion of the earth, it not only revolves around the sun, which results in seasons, but also spins on its own axis, which makes days. A micropolar continuum is considered as a continuous collection of finite-size particles. The translation of finite-size fluid particles can be imagined as the earth revolution with, the gyration being similar to the spin of the earth. The material time rates of spatial deformation tensors can be obtained as (19) The physical picture of equation (19) is similar to the motion of the moon; it always faces the Earth with the same side while revolving around the Earth. Substitute equation (19) into equation (12) and one can obtain rp1ðl1m Þrr v1m r2 v1rf ¼ rv_ 3 (18) (20) where m ¼ m11=2k. It is identical to Navier–Stokes equations derived from Newtonian fluid. At this point, the MFD formulation has been clearly shown as more general than Navier–Stokes equations. 4 NUMERICAL SCHEME The time-centre split method (TCSM) was first developed by Fu and Hodges in 2009 for unsteady advection problems [18]. Here the TCSM is further extended for incompressible MFD. The incompressible fluid implies r v ¼ 0 and hence the pressure p becomes the Lagrange multiplier. The condition r v ¼ 0 must be enforced and indeed it is used to calculate the Lagrange multiplier. The Chorin’s projection method is incorporated with TCSM to update the pressure gradient term for solving the Poisson equation. Also, it is noted that the effect of thermomechanical coupling is not considered. The projection method was originally introduced to solve time-dependent incompressible Navier– Stokes fluid-flow problems by Chorin [19]. In Chorin’s original version of the projection method, the intermediate velocity v* is explicitly computed Proc. IMechE Vol. 224 Part N: J. Nanoengineering and Nanosystems 34 J Chen, C Liang, and J D Lee using the momentum equations, ignoring the pressure gradient term v vn 1v rv ðt t n Þ ri ¼ (21) ða1bÞrr v 1gr2 v 1kðr3v 2v Þ1rl (26) where vn is the velocity at the nth time step. In the next step, the velocity is updated with 5. Neglect the pressure effect and update velocity from t** to t*** while dealing with the convective term as v rv = v** rv** v vn ¼ v n rv n 1mr2 v n ðt t n Þ v n11 v 1 ¼ rpn11 r ðt n11 t Þ (22) In order to guarantee that vn11 satisfies the continuity equation, taking divergence on both sides of equation (22) leads to r v n11 r v ¼ ðt n11 t Þ 2 n11 r p r (23) Thus, a Poisson equation for pn11 is obtained as r2 pn11 ¼ r r v ðt n11 t Þ v vn 1v n rv ðt t n Þ ¼ ðm1kÞr2 v 1kr3vn (25) 2. Solve r2 p ¼ ðt r r v tÞ 3. March time from t* to t**and update velocity as v ¼ v ðt t Þ rp r which guarantees velocity divergence free at t**. 4. Solve gyration v** at t** using velocity field v** Proc. IMechE Vol. 224 Part N: J. Nanoengineering and Nanosystems ¼ (27) ðm1kÞr2 v 1kr3v 6. Solve r2 pn11 ¼ r r v ðt n11 t Þ 7. March time from t*** to tn11 and update velocity using v 1. Neglect the pressure effect and update the velocity from tn to t* while dealing with the convective term as v rv = vn rv* v v 1v rv ðt t Þ (24) A distinguished feature of Chorin’s projection method is that the velocity field is forced to satisfy the continuity equation at the end of each time step. In this paper, a new method is proposed. It incorporates TCSM into Chorin’s projection method for MFD equations and enforces the continuity equation to be satisfied in the middle and at the end of each time step. The procedures of this method are listed as follows. r r n11 ¼v t n11 t rpn11 :v n11 r to satisfy the continuity equation at tn11. 8. Solve gyration vn11 at tn11 using the velocity field nn11 vn11 v 1v n11 rvn11 ri ðt n11 t Þ ða1bÞrr vn11 1gr2 vn11 1 ¼ (28) kðr3v n11 2vn11 Þ1rl The procedures from step 1 to step 8 complete a physical step of time marching. The advantage of this algorithm is to avoid the non-linear terms in the equations and to provide a set of linear equations with a second-order accuracy in time evolving [18]. For the viscous terms of velocity and gyration, they are discretized using the central difference method, for example vx ðx11; y; zÞ 2vx ðx; y; zÞ1vx ðx 1; y; zÞ x2 vx ðx; y11; zÞ 2vx ðx; y; zÞ1vx ðx; y 1; zÞ 1 y 2 vx ðx; y; z11Þ 2vx ðx; y; zÞ1vx ðx; y; z 1Þ 1 z2 r2 v x ¼ (29) Theory and simulation of micropolar fluid dynamics vx ðx11; y; zÞ 2vx ðx; y; zÞ1vx ðx 1; y; zÞ r vx ¼ x2 vx ðx; y11; zÞ 2vx ðx; y; zÞ1vx ðx; y 1; zÞ 1 y 2 vx ðx; y; z11Þ 2vx ðx; y; zÞ1vx ðx; y; z 1Þ 1 z2 2 where j can be x or y or z. The central difference method is also employed to discretize the curl of velocity and gyration. ∂vx ∂vy vx ðx;y11;zÞ vx ðx;y 1;zÞ 5 2y ∂y ∂x vy ðx11;y;zÞ vy ðx 1;y;zÞ 2x ∂vx ∂vy vx ðx;y11;zÞ vx ðx;y 1;zÞ 5 2y ∂y ∂x vy ðx11;y;zÞ vy ðx 1;y;zÞ 2x (30) For the convective terms, v rv and v rv, an upwind scheme is adopted due to the stability issue. For example, at step 1 in the time marching algorithm, the convective terms in momentum equations can be discretized as vx vj;x 8 v j ðx;y;zÞ vj ðx 1;y;zÞ > > n > v ð x;y;z Þ > x > x > > > < if vxn ðx;y;zÞ . 0 ) > v j ðx11;y;zÞ vj ðx;y;zÞ > > > vxn ðx;y;zÞ > > x > > : if vxn ðx;y;zÞ\0 5 (31) where j can be x, y, or z. However at step 5, v*** is unknown, so the upwind scheme is chosen based on v** vx vj;x ) 8 v ðx; y; zÞ vx ðx 1; y; zÞ > > ðx; y; zÞ x v > x > > x > > > > < if vx ðx; y; zÞ . 0 vx vj;x (35) ANALYTICAL AND EXACT SOLUTIONS OF COUETTE FLOW Consider an incompressible fluid with a top plate in height h moving with a velocity U0, a bottom plate fixed, and the following assumptions: (a) no velocity in the y- and z-directions, (b) no gyration in the xand y-directions, (c) fully developed flow (i.e. both x-direction velocity and z-direction gyration are functions of y only), and (d) no body force. The steady solution for micropolar fluid is k C2 e MyC3 e My 12ðC_21C_3Þy1C4 Mðm1kÞ m1k C1 vz ¼ C2 e My 1C3 e My 2m1k (36) vx ¼ > v ðx11; y; zÞ vx ðx; y; zÞ > > > ðx; y; zÞ x v x > > x > > > : if vx ðx; y; zÞ\0 (32) where j can be x, y, or z. At steps 4 and 8, the convective terms in the angular momentum equations are discretized as vx vj;x 35 8 vj ðx; y; zÞ vj ðx 1; y; zÞ > > > ðx; y; zÞ v > x > x > > > < if vx ðx; y; zÞ . 0 ) > vj ðx11; y; zÞ vj ðx; y; zÞ > > > vx ðx; y; zÞ > > x > > : if vx ðx; y; zÞ\0 (33) 8 vn11 ðx; y; zÞ vn11 ðx 1; y; zÞ > j j n11 > > v ðx; y; zÞ > x > x > > > < if vxn11 ðx; y; zÞ . 0 ) > vn11 ðx11; y; zÞ vn11 ðx; y; zÞ > j j > n11 > v ðx; y; zÞ > x > x > > : if vxn11 ðx; y; zÞ\0 (34) where kð2m1kÞ gðm1kÞ 2m1k C1 5 ðC2 1C3 Þ m1k U0 C2 5 Mh Mh kð1eMh Þ 2 M ðm1kÞ 1 e eMhe1 h M 25 1 e Mh C2 e Mh 1 k C4 5 ðC2 C3 Þ M ðm1kÞ C3 5 (37) The steady solution of Newtonian fluid is y U0 h 1 ∂v x U0 ¼ v z ¼ 2 ∂y 2h vx ¼ (38) Taking into account that g is the viscosity coefficient, which tends to stop the rotation of the finite Proc. IMechE Vol. 224 Part N: J. Nanoengineering and Nanosystems 36 J Chen, C Liang, and J D Lee Fig. 1 The comparison of angular velocity in Navier– Stokes equations and microgyration in MFD (Couette flow) Fig. 3 The comparison of velocity profiles in Navier– Stokes equations and MFD (Poiseuille flow) Figure 2 shows the time evolution of the velocity profile in Couette flow 6 ANALYTICAL AND EXACT SOLUTIONS OF POISEUILLE FLOW Consider an incompressible fluid in a channel with a uniform pressure gradient 2G and half channel height h. The steady state solution for micropolar fluid is 2 G h y2 ð2m1kÞ kC2 Mh Mh My My 1 e 1e e 1e M ðm1kÞ Gy 1C2 e My e My vz 5 ð2m1kÞ vx 5 Fig. 2 Time evolution of velocity in Couette flow. The arrow indicates the transient process as time marches on size particles, one can also define the internal characteristic length l g m1k k 2m1k 1 2 l¼ (39) Note that g = 0 leads to l = 0. Figure 1 shows the gyration plot with the change of l. It can be observed that as g decreases, the gyration effect intensifies. It should be mentioned that the gyration is normalized by the angular velocity solved from Navier–Stokes equations. Utilizing the proposed numerical method, the transient process of Couette flow can now be tackled. The fluid is initially at rest. The time step is set as 2 31023 and the result is output every 100 steps. Proc. IMechE Vol. 224 Part N: J. Nanoengineering and Nanosystems (40) where M2 ¼ kð2m1kÞ ; gðm1kÞ C2 ¼ Gh ðe Mh e Mh Þð2m1kÞ (41) The steady solution of Newtonian fluid is G ðh2 y 2 Þ 2m 1 ∂v x Gy ¼ v z ¼ 2 ∂y 2m vx ¼ (42) It can be observed that k is the connection between velocity and gyration, which indicates the strength of the coupling effect. In Figs 3 and 4, m1k keeps constant while k is changing. It is obvious that when k is dominating in m1k, the coupling effect is so strong that the centre velocity of MFD is quite different from the velocity obtained from the Navier– Stokes equations. The plot of gyration and centre Theory and simulation of micropolar fluid dynamics 37 compared. Different numbers of grid point (including 6 3 6, 11 3 11, and 21 3 21) are tested. Figure 5 plots the L1 and L2 error for the centre velocity and gyration. The errors all decay as grid points increase. The comparison is also listed in Table 1. The average orders of L1 error of velocity are 1.94 and 1.55 for velocity and gyration, respectively. The average order of L2 error of velocity is 1.55, and gyration is 1.658. The accuracies of both velocity and gyration are nearly second-order in space. 8 Fig. 4 The comparison of angular velocity in Navier– Stokes equations and microgyration in MFD (Poiseuille flow) Fig. 5 Error analysis of the numerical scheme Table 1 Error analysis of Poiseuille flow Velocity Microgyration x L1 error Order L2 error Order L1 error Order L2 error Order 636 11 3 11 21 3 21 0.079 84 0.024 89 1.681 5 0.028 46 1.797 6 0.006 77 1.414 77 0.008 69 1.530 8 1 0.005 46 2.189 0.006 27 2.182 0.002 1 1.688 8 0.002 52 1.786 0.5 0.098 94 0.018 05 0.025 11 2 velocity are in Figs 3 and 4, respectively, while the centre velocity and the gyration are normalized by the velocity and angular velocity, respectively, from the Navier–Stokes equations. 7 NUMERICAL ACCURACY STUDY Uniform mesh is utilized to analyse numerical accuracy, while the numerical and analytical solutions of the flat-plate Hagen–Poiseuille flow are LAMINAR LID-DRIVEN CAVITY FLOW The cavity is a square box with side length d = 0.1. The velocity on the top of the box, uN, is 1. The material constants are set as follows: m ¼ 104 ; k ¼ 93104 ; g ¼ 107 . Consequently, the Reynolds number, Re = ( ruN d/( m 1 k), is 10. The mesh number is 20 3 20. The time step is set as 0.005, while the Courant condition requires that t tmax = x/uN = 0.005. Note that this proposed numerical scheme is semi-implicit so that the Courant condition does not have a significant influence on the numerical method. Figure 6 plots the centre velocity vector. A big recirculation region can be clearly seen. Figure 7 shows the pressure distribution. The boundary condition of pressure is set under Neumann boundary conditions, exactly on the wall, while the reference point is set in the centre of the box. In addition, the normalized pressure ru2‘ is 0.1. Figure 8 shows the gyration in this cavity. It is apparently seen that the fluid particles spin clockwise below the top of the box and they spin counterclockwise at both sides of the box. However, the maximum of both spinning directions (clockwise and counterclockwise) does not occur on the sides because gyration is set to zero under boundary conditions. Based on the center velocity, it is straightforward to calculate the vorticity as shown in Fig. 9. It should be emphasized that the vorticity is the rotation of the fluid molecule relative to its neighbouring fluid molecules but the gyration is the selfspinning of the fluid molecule. The total velocity in the micropolar theory is defined as vk ðx; z; tÞ ¼ vk ðx; tÞ1ekml vm zl (43) Figure 10 shows the total velocity. It is plotted on a finer mesh and calculated based on equation (43). The maximum kjk of the finite-size particle is set to be the half diagonal of the element. Therefore, the size of the element is as large as the fluid particle. Hence the size of simulated cavity is as large as that Proc. IMechE Vol. 224 Part N: J. Nanoengineering and Nanosystems 38 J Chen, C Liang, and J D Lee Fig. 9 Vorticity in cavity flow Fig. 6 Centre velocity in cavity flow Fig. 7 Pressure distribution in cavity flow Fig. 10 Total velocity in cavity flow of 20 fluid particles, 20323 maxkjk, while a fluid particle refers to either a fluid molecule or a group of fluid molecules. For the overlapping regions, the value of total velocity is averaged. Using the concept of total velocity, it enables observation of the gyration effect. In this example, the gyration tends to induce the formation of vortices in the bottom corners (see Figure 10). 9 Fig. 8 Gyration in cavity flow Proc. IMechE Vol. 224 Part N: J. Nanoengineering and Nanosystems CONCLUDING REMARKS Microcontinuum field theories provide additional degrees of freedom to incorporate the microstructure of the continuous medium. In this paper, the micropolar theory is briefly introduced. Extra Theory and simulation of micropolar fluid dynamics rotating degrees of freedom not only widen the physical background of microfluidics andthe fluid mechanics at micro- and nanoscales, but also enlarge the capacity to address various features missing from the Navier–Stokes equations. The second-order accurate TCSM successfully incorporated with Chorin’s projection method to solve the MFD. This work discusses only the steady flow cases. Nevertheless, the unsteady terms in the MFD are taken into account rigorously and completely in the proposed numerical scheme. The developed discretization schemes in space are demonstrated with nearly second-order accuracy on multiple meshes. This study initiates the development of a general purpose numerical solver for computational MFD. Interested readers may adopt the numerical methods developed in this paper to explore the feasibility of micropolar fluid dynamics on multiscale fluid mechanics problems. Ó Authors 2011 REFERENCES 1 Brody, J. 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APPENDIX Notation e fk h i K/u ll mkl p qk tkl xk,K internal energy density body force tensor energy source density microinertia Fourier heat-conduction coefficient body moment density coupled stress tensor pressure heat vector Cauchy stress tensor deformation gradient a, b, g dkl, dKL eklm h u l, m, k nk nk,l vk r x kK c = e – hu vk vkl total velocity Kronecker delta permutation symbols entropy density absolute temperature viscosity coefficients for stress centre velocity velocity gradient total velocity mass density micromotion Helmholtz free energy gyration vector gyration tensor Proc. IMechE Vol. 224 Part N: J. Nanoengineering and Nanosystems