Mechanics of Materials 41 (2009) 742747

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Mechanics of Materials
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Invariants of stress and fabric tensors in charged granular systems subjected to shearing
S. Joseph Antony a,*, M.A. Sultan b
Institute of Particle Science and Engineering, University of Leeds, England LS2 9JT, UK Laboratory Separation and Reaction Engineering, Departamento de Engenharia Qumica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias s/n, 4200-465 Porto, Portugal
b a

a r t i c l e

i n f o

a b s t r a c t
Using computer simulations, we studied the micromechanical characteristics of charged granular media (cohesive and frictional sphere assemblies) subjected to quasi-static shearing. Contrary to the normal expectation, our analysis show that the macroscopic octahedral shear stress tensor in charged granular systems which is associated with distortional changes during shearing originates from the anisotropic orientation of a small proportion of (heavily loaded) contacts. Electrostatic force between the grains enhances geometric stability of the charged granular media during slow shearing. Although charging inuences the octahedral stress and fabric measures at both the microscopic and macroscopic scales, their effect is relatively more dominant in low-frictional systems. The key results presented here on the micromechanical shear deformation properties of discrete materials could form as a basis, as well as complement other methods, in describing the constitutive behaviour of charged granular media. Crown Copyright 2009 Published by Elsevier Ltd. All rights reserved.

Article history: Received 15 December 2008

1. Introduction Granular materials behave differently from conventional solid, liquid and gaseous matter. Historically, the constitutive behaviour of granular materials subjected to mechanical loading is described with some degree of success based on physical experiments, statistical mechanics and continuum theories (e.g. Cambou, 1998; Hanes and Inman, 1985; Edwards and Grinev, 1999; Massoudi and Mehrabadi, 2001; Vermeer et al., 2001). However, the macroscopic description of the stress states in granular materials are still largely un-related to the internal behaviour of granular systems, often difcult to obtain in the experiments. Constitutive theories based on continuum modelling involve material parameters for which it is difcult to attach direct physical meaning to them. This complexity is some what overcome in employing advanced computational tools such as Finite Element Method (FEM) and Discrete Element Meth* Corresponding author. Tel.: +44 11 33432409. E-mail address: S.J.Antony@leeds.ac.uk (S. Joseph Antony).

od (DEM) to study the constitutive behaviour of granular materials. In particular, DEM modelling of granular systems has gained signicant interest among researchers in the recent past, largely due to its ability to reveal both the macroscopic and the internal behaviour of particulate systems under mechanical loading (e.g. Cundall and Strack, 1979; Thornton and Antony, 1998; Hanes and Walton, 2000; Kuhn, 1999, 2003). The method models the interaction between neighbouring particles as a dynamic process and the time evolution of the particles is advanced using an explicit nite difference scheme. The inter-particle force-separation relations employed in DEM vary from using a simple linear spring-dashpot model for cohesionless particles (Cundall and Strack, 1979) to the more complex non-linear theories of contact mechanics (for example, JKR-theory based DEM simulations for cohesive particulate systems, Thornton and Antony (1998)). For more details of the DEM methodology, the readers could refer to Cundall and Strack (1979). Further, DEM helps to assess the inuence of single-particle properties and packing condition of the assemblies on the macroscopic properties of particulate systems under differ-

0167-6636/$ - see front matter Crown Copyright 2009 Published by Elsevier Ltd. All rights reserved. doi:10.1016/j.mechmat.2009.01.004

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ent boundary conditions (Antony, 2007). However, previous studies on the constitutive behaviour of granular media are generally limited to mechanically loaded granular systems so far. The situation becomes complex if we need to prescribe the shear deformation behaviour of charged granular systems, as often required in several industrial applications dealing with actuators, electro-mechanical granular valves, and in applications dealing with current conducting granular packing. Although some amount of research is reported in the recent past on the macroscopic behaviour of charged particulate media, they are usually limited to non-cohesive particles, two-dimensional conditions, and the loading condition of the particulate media were under either static or rapid loading conditions (e.g. Watano et al., 2003; Antony and Stockwell, 2007, Matsusaka et al., 2000; Hays, 1995; Yoshida et al., 2003). Antony and Sultan (2007) reported a comparative study on the role of individual force components and other factors that dictate bulk friction in charged granular media subjected to slow shearing. Their study show that, among all the force components considered, the variations in short-range electrostatic forces (Coulombic) between the grains (often ignored in practice) dominantly affect the bulk friction. This provides further motivation to probe the commonly used continuum equivalent of invariants of octahedral stresses that represents the distortional changes of the charged granular media, and to nd their microscopic origin from information obtained at particle scale as reported here. Further, other key characteristics of dilation rate, force transmitting contacts and the role of contact structures in charged granular media subjected to shearing still remains unclear, an aspect addressed in the present work. Here we study the micromechanical shear deformation characteristics of three-dimensional charged granular systems sheared slowly (quasi-static) under tri-axial compression loading. The study is based on DEM simulations in which the inter-particle force-separation relation accounts the contribution of both the electrostatic and mechanical loading conditions. The results are analysed for several key global as well as micro-scale properties of charged dense granular media subjected to quasi-static shearing. In particular, we present the variation of global (macroscopic) stress invariants, invariants of fabric tensor and other key variables often used to dene the constitute behaviour of sheared granular media. We also present key details on the fabrics of force transmitting contacts and their inuence on the evolution of macroscopic octahedral stress tensor in charged granular media under shearing. 2. Simulation experiments We briey present the DEM simulation methodology, followed by the system properties and loading conditions used in this study. The DEM methodology employed here is identical to the work of Cundall and Strack (1979), except that we have modied the inter-particle interaction law to account the electrostatic forces between particles even when neighbouring particles do not touch or overlap (non-contacting regime), but when they are sufciently closer, this non-contacting force contribution can not be

ignored. The electrostatic force contribution is added to conventional contact forces when the particles touch/ overlap (Antony and Sarangi, 2006) as well as the pull-off adhesion force between the particles based on the widely used JohnsonKendall and Robertss theory for cohesive particles (Johnson et al., 1971). Hence the motion of the individual particles at a given time follow Newtons law of motion, presented in the following general form (Cundall and Strack, 1979):

2! d x

dt

! ! ! F cont F electrical F JKR

pull-off

! ! in which, F cont and F electrical represent the contribution of forces due to mechanical (contact force) and electrostatic (non-contacting) force, respectively. Based on the well known Coulombs law, the electrostatic force is computed Q2 as equal to 4pe r2 , where Q is the net particle charge, r is 0 the separation distance between the two particles of radius R, e0 is the permittivity of free space given as 8.854 1012 N m2/C2. The JKR pull-off force between particles is equal to 3 W A pR , in which WA is the work of adhe2 sion (Johnson et al., 1971) and R* is the reduced radius of the particle (for mono-sized particles with radius R, R* = R/2). When the particles physically touch/overlap, the mechanical forces are computed in the classical way (Cundall and Strack, 1979): equal values of linear normal and tangential contact springs were assigned, and slipping between particles would occur whenever the specied contact friction coefcient was attained. In short, the simulations consider the combination of linear and non-linear force-separation models for the contact and non-contact (electrostatic) regimes. The particle arrangements were initially random, isotropic and homogeneous. We veried that the stress and fabric measures of the initial assemblies were identical along any given direction, and hence, their octahedral components were zero as one could observe this later in the results section. The assemblies, each contained about 2000 mono size particles (spheres) in dense packing in a periodic cell (initial solid fraction 0.6511), density of particle qp = 1000 kg/m3 and the work of adhesion WA was assigned as 0.08 J/m2. The diameter of the particles = 10 106 m with Q = 14.52 fC. The properties of the particles assigned above correspond to typical toner particles commonly used in industries. To investigate the inuence of inter-particle friction (l) on the evolution of the macroscopic octahedral stress and fabric tensor components, l is varied as 0.01, 0.25 and 0.5. The mechanical boundary conditions were pertaining to tri-axial compression test: the height of the assembly was slowly reduced at a constant rate along the 11 (axial) direction, while maintaining a constant horizontal stress along the 22 and 33 directions. The axial strain was advanced in small increments of De11 = 1.0 105, and several relaxation steps were performed within each increment. The loading was conducted slowly, so that the kinetic energy associated with velocity uctuations was, on average, about 0.01% of the elastic energy in the contact springs. These measures minimized the transient inertial

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effects that would have otherwise biased the results of a presumed quasi-static loading. For the purpose of analysis, the evolution of stress tensor, fabric tensor, contacts, volumetric strain and other heterogeneity measurements are computed using the micro-scale data of its particles and contact forces. The average stress tensor rij in a granular assembly can be directly computed as a sum of dyadic products associated with its M contacts (Cundall and Strack, 1979):

rij

1 X xy xy l f V xy i j

where V is the assembly volume. Each product is for a contact xy between particles x and y, and the pair xy is an element in the set M of all contacts. The branch vector lxy connects a reference point on particle x to a reference point on particle y; and fxy is the contact force exerted by particle x on y. Each vector can be expressed as the product of scalar magnitudes and unit directions as (Cundall and Strack, 1979; Thornton and Antony, 1998):

I1 and J2 are perhaps more important in the sense that, I1 represents the hydrostatic pressure acting on the material and J2 represents an average of the shearing stresses leading to distortional changes in the assembly. In the octahedral plane, the normal to the plane makes equal angle with the principal stress axes. The normal stress and shear stress acting on an octahedral plane are referred to as octahedral normal stress roct (= (1/3)(r11 + r22 + r33)) and octahedral shear stress soct (= [(2/3)J2]1/2), respectively. Similarly, the octahedral normal strain (eoct) and octahedral shear strain (coct) can be computed by drawing an analogy to their counterparts in the strain space (Chen and Zhang, 1988). 3. Results and discussion At rst, we present results on the macroscopic stress invariants for charged granular media subjected to quasistatic shearing. In particular, we probe the evolution of octahedral shear stress in charged granular media (in terms of J2), as it is associated with the shearing deformations leading to the distortional changes in the assemblies. In all the plots presented here, the values presented in the legend entries correspond to the coefcient of inter-particle friction of the assemblies. In the discussions, henceforth, we refer charged granular media with friction coefcients l = 0.01, 0.25, 0.5 as relatively low frictional, intermediate frictional and high frictional systems, respectively. In the following gures, we also incorporate corresponding simulation results for the case of uncharged granular media subjected to slow shearing for the purpose of comparison. Fig. 1 shows the evolution of octahedral stress ratio (soct/roct) plotted against the octahedral shear strain (coct) for the different cases of the frictional charged systems subjected to shearing. Except in the case of uncharged low-frictional media, all other cases produced a pronounced peak in the octahedral stress ratio, followed by strain softening during shearing. In the following discussions, the steady state refers to attaining constant octahedral stress ratio (which occurs at an octahedral strain value of about 0.3). It is interesting to note that, charging seems to have inuenced the macroscopic behaviour of low-frictional systems more signicantly than in other systems as reected by the pronounced peak in octahedral stress ratio in the case of charged low-frictional system when com-

rij

1 X xy xy;n xy xy l f ni nj f xy;t nxy txy i j V xy

where nxy is the outward unit normal of particle x at contact xy, txy is the unit tangential vector aligned with the tangential component of contact force fxy,t, and lxy is the length of branch vector lxy:

xy

f xy;n nxy f xy;t txy

xy xy

4a 4b

l l n

xy

There are different ways by which the fabric tensor of the contacts can be represented. Here, the distribution of contact orientations is characterised by the widely used fabric tensor /ij, suggested by Satake (1982) as:

/ij hni nj i

M 1 X s s nn M s1 i j

where M is the number of contacts in the representative volume element and ns is the (unit vector) direction of the sth branch vector (contact). The invariants of the principal stresses can be determined by solving the characteristics equation (Chen and Zhang, 1988):

r3 I1 r2 I2 r I3 0

where r is the magnitude of principal stresses. I1, I2 and I3 are the rst, second and third invariants of stress tensor. The deviatoric stress tensor can be obtained by subtracting the hydrostatic stress tensor from the stress tensor, eventually leading to the following characteristic equation (Chen and Zhang, 1988):

0.80 0.70 0.60

Charged 0.5 Charged 0.25 Charged 0.01

Uncharged 0.5 Uncharged 0.25 Uncharged 0.01

where s is the magnitude of deviatoric stresses. J1, J2 and J3 are the rst, second and third invariants of deviatoric stress tensor. These invariants can be related in terms of stress components as:

oct/ oct

s3 J 1 s2 J 2 s J 3 0

0.50 0.40 0.30 0.20 0.10 0.00 0.00

J 1 sii J 2 1=2sij sji and J 3 1=3sij sjk ski

8 9 10

0.05

0.10

oct

0.15

0.20

0.25

0.30

Fig. 1. Evolution of octahedral stress ratio during shearing.

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Uncharged 0.5 Uncharged 0.25 Uncharged 0.01

pared with that of uncharged system. Later, we present some suggestions on the reason behind this increase in octahedral stress ratio in the case of charged low-frictional granular media. Though not presented here, we also investigated the variation of axial stress ratio, r11/r33, in the granular systems during the tri-axial compression test, and veried that it was qualitatively similar to octahedral stress ratio for both charged and uncharged systems. We also observed that plots of conventional deviator stress versus mean stress (and octahedral shear stress (soct) versus octahedral normal stress (roct)) varied linearly for both the charged and uncharged systems studied here, similar to existing studies reported for uncharged granular media under shearing (Hicher, 1998). In Fig. 2, we present the geometric evolution of the contacts, in terms of contact density (e.g. Antony et al., 2005) Nr (= (Ncoct N0)/N0, Ncoct is the number of contacts in the assembly at a given octahedral shear strain, and N0 is the initial number of contacts). We observe that, for all values of octahedral shear strain, charged systems resulted higher values in contact density than their uncharged system counterparts indicating that charging could enhances geometric stability in slowly sheared systems. We also notice that, irrespective of whether a system is charged or not, increase in friction tends to enhance the contact density in granular media. Comparison between Figs. 1 and 2 seems to suggest qualitative similarities between the variation of octahedral stress ratio and contact density for some values of octahedral shear strain. However, correlation between these two quantities for all values of octahedral shear strain levels was not possible. We also examined for possible correlations between evolution of coordination number and octahedral stress ratio during shearing and found to be not satisfactory. However, later we present a better correlation between octahedral stress ratio and the fabrics of the load-transmitting contacts for all values of octahedral shear strain for the systems studied here. To understand the dilation characteristics of the assemblies and the evolution of octahedral stress ratio (soct/roct), in Fig. 3, we present a plot between void ratio and octahedral stress ratio during shearing. In this plot, the superimposed arrow joins all data of octahedral stress ratio of the assemblies at the steady state. It is also evident that, in general, the assemblies dilate to mobilise (octahedral) shear stress as the initial assemblies were densely packed. Also, charging seems to enhance the dilation in the granular assemblies during shearing. Though not presented here,

0.90 0.85

Charged 0.5 Charged 0.25 Charged 0.01

Void ratio

0.80 0.75 0.70 0.65 0.60 0.55 0.50 0. 00 0.20 0.40 0. 60 0. 80

oct/oct
Fig. 3. Envelope of the variation between void ratio and octahedral stress ratio during shearing.

we also studied the evolution of volumetric strain with regard to octahedral shear strain and the results further conrmed enhanced dilation in charged granular systems. However, recent studies on uncharged frictional granular media subjected to slow shearing suggest a fairly linear relationship between the maximum dilatancy rate and the difference between peak shear strength and steady state shear strength (Bolton, 1986; Kruyt and Rothenburg, 2006). To investigate this relation in the case of charged granular media, in Fig. 4, we present a plot of maximum dilation rate (dev/des)peak (ev is the volumetric strain and es is the deviatoric strain) versus difference in shear stress ratio between peak and steady states for charged granular systems subjected to shearing (i.e, (q/p)max (q/p)steady, q = r11 r33 and p = (r11 + r22 + r33)/3). We observe that, in the case of charged granular systems, fairly linear relationship between the maximum dilatancy rate and the difference between peak shear strength and steady state shear strength is still maintained. Now, we discuss on the nature of force transmitting contacts in both the charged and uncharged granular systems during shearing, with the objective of nding possible correlations between the load-transmitting contact fabrics and the octahedral stress ratio. Previous studies based on optical stress analysis (e.g. Behringer and Miller, 1997) and computational methods (e.g. Cundall and Strack, 1979; Thornton and Antony, 1998; Kruyt and Antony, 2007) reveal that, in granular media, the load is transmitted by relatively rigid, heavily stressed chains of particles which form a relatively sparse network of contacts. The network of contacts can be divided into two groups, viz., strong contacts and weak contacts. The strong contacts carry forces greater than average normal force in the system, forming percolating chain-like structures during

0.50 0.45 0.40

Charged 0.5 Charged 0.25 Charged 0.01

Uncharged 0.5 Uncharged 0.25 Uncharged 0.01

0.60 0.55

Contact density

0.35 0.30 0.25 0.20 0.15 0.10 0.05 0.00 0.00 0.05 0.10 0.15 0.20 0.25 0.30

(dv/ds)peak

0.50 0.45 0.40 0.35 0.10

0.15

0.20

0.25

0.30

0.35

0.40

oct

(q/p)peak - (q/p)steady
Fig. 4. Relation between maximum dilation rate and difference between deviator stress ratios measured at peak and steady state.

Fig. 2. Variation of contact density during shearing.

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S. Joseph Antony, M.A. Sultan / Mechanics of Materials 41 (2009) 742747 Table 1 Correlations (iiii) between octahedral stress ratio and invariants of fabric anisotropy tensor of strong contacts for charged and uncharged granular media subjected to slow shearing.

shearing. The remaining particles separating the strong force chains are only lightly loaded (weak contacts). However, investigations on the link between the directional alignment of load-transmitting contacts and macroscopic strength characteristics in granular assemblies receive signicant interest at present (e.g. Radjai et al., 1999, 2004; Thornton and Antony 1998; Kruyt and Antony, 2007) and a review of the role of force structures in granular media can be found in Antony (2007). In general, the macroscopic strength characteristics in particulate systems is dictated by the distribution of heavily loaded contacts, also referred to as strong force chains. Shear strength of granular media seems to depend on the systems ability to build up strongly anisotropic force structures of heavily loaded contacts. Surprisingly, they constitute only a small proportion of all contacts in particulate systems (e.g. Kruyt and Antony, 2007). Inspired by these works, we conducted detailed investigations on the directional alignment of strong contacts in charged granular system and its relation to the evolution of octahedral stress ratio. For this, we restricted the calculation of fabric tensor /ij (Eq. (6)) only to account strong contacts (/sij, sufx s denotes strong contacts). For both charged or uncharged systems studied here, our simulation results satised the equation (soct/roct) = p b (s11/s33) very well throughout shearing, where b is the scaling parameter which depended weakly on the inter-particle friction. A typical correlation between these two quantities is presented in Fig. 5. Nevertheless, it is possible to get similar relations between the octahedral stress ratio and the invariants of the fabric anisotropy tensor sij: we found that the following (forms of anisotropic fabric) relations also satised the simulation data (soct/roct) = b(s11 s33) and (soct/roct) = b(s33/s11) during all stages of shearing (see Table 1). From these results, we could conclude that the increase in octahedral stress ratio in charged systems is due to the fact that charging enhances the fabric anisotropy of heavily loaded contacts during shearing. As we have considered a range of charged systems having different values of inter-particle friction, we examined the extent to which charging is relatively more efcient in the different systems and the results are presented in Fig. 6 in terms of three gain indices (I indices) measured in relation to uncharged systems: I(soct/roct) = [(soct/roct)charged (soct/ roct)uncharged)/(soct/roct)uncharged], Is = [(s charged s uncharged)/s uncharged], IEs = [(IEs charged IEs uncharged)/IEs uncharged] and their values measured at the peak (max) and steady states (cv) are presented in this plot. In this, I(soct/
1.00 0.90 0.80 0.70

b Uncharged 0.31 0.28 0.17 0.2 0.18 0.14 5 5 4

Charged p (i) (soct/roct) = b (s11/s33) 0.5 0.33 0.25 0.29 0.01 0.25 (ii) (soct/roct) = b(s33/s11) 0.5 0.17 0.25 0.16 0.01 0.125 (iii) (soct/roct) = b(s11 s33) 0.5 4.55 0.25 4.17 0.01 3.85

140 120

I(oct/oct)max I(Es )max I(s)max

I(oct/oct)cv I(Es )cv I(s)cv

80 70 60 50 40

I(oct/oct)(%),Is ( %)

100 80 60

30 40 20 0 0.0 0.1 0.2 0.3 0.4 0.5 0.6 20 10 0

Fig. 6. Plot of gain indices (I) in charged granular systems.

roct), Is, IEs correspond to the I measures of octahedral stress ratio, deviator fabric anisotropy of strong contacts and the energy dissipated due to sliding of the contacts, respectively. From this gure, we can infer that, the effect of charging is relatively more dominant in low-frictional particulate systems (l < 0.25).

4. Conclusions In this study, we examined both the microscopic and macroscopic characteristics of charged granular systems subjected to slow shearing. The study was based on DEM methodology in which the inter-particle interactions account the contribution of charging in (cohesive, frictional) granular media. In particular, we analysed the evolution of macroscopic octahedral stress ratio in terms of invariants of stress tensor and several microscopic features such as contact density, void ratio and dilation rate. These plots displayed the distinct effects of charging in a range of frictional systems subjected to shearing. Further, charging still preserves the linear relationship between the maximum dilation rate and difference between the deviator stress ratio at the peak and steady states. Detailed analysis were performed to investigate the extent to which charging inuences the directional anisotropy of contacts that share

oct / oct

s11/ s33

3.00

oct/ oct

0.60 0.50 0.40 0.30 0.20 0.10 0.00 0.00 0.05 0.10 0.15

2.00 1.50 1.00 0.50 0.00 0.20

Axial strain
Fig. 5. Typical correlation between octahedral stress ratio and fabric anisotropy of strong contacts for charged granular media (l = 0.25) subjected to shearing.

s11/s33

2.50

I Es(%)

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the load during shearing. We showed that the evolution of octahedral stress ratio is contributed by the anisotropic texture of heavily loaded contacts during shearing, which constitute only a small proportion of total number of contacts. It is worth noting that, although charging could inuence the stress and fabric measures, its effect is relatively more dominant in low-frictional systems. The study suggests that by choosing appropriate particle scale properties (e.g. work of adhesion, inter-particle friction) and charging conditions, granular assemblies could be ne tuned to attain strength specications. More research is required in future to account other complexities such as variation in particle shape and size, other complex loading conditions encountered in real practice and to account charge relaxation effects in a more rigorous manner. However, the approach presented here forms a basis to account such tough challenges in future. References
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