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Geomechanics Perspective
Catherine O’Sullivan, Ph.D.1
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Abstract: This paper is a review of the use of particulate discrete element modeling (DEM) in geomechanics. The overall objective of the
paper is to serve as an introduction to researchers and practitioners in geomechanics who are considering adopting DEM in their work or using
the results of DEM simulations to guide other studies, for example, the development of constitutive models for continuum-based numerical
analysis. It is hoped that prior converts to the use of DEM will also benefit from a relatively objective overview of current DEM use in
geomechanics. The introductory sections present the background to the method and give an overview of the evolution of the use of particulate
DEM in recent geotechnical research. The general principals of the algorithm are then presented, considering the types of particles typically
used, the calculation of contact forces, and formulation of simulation boundary conditions. Some techniques available to interpret and post-
process of DEM results and provide the information to link the particle scale and overall response are outlined. Approaches used to validate
and calibrate DEM models to verify that DEM simulation results representative of physical reality are discussed. An overview of the
application of DEM modeling to field-scale problems is then presented. Finally the conclusions consider future developments in the area
and emphasize the need to maintain quality in DEM simulations. DOI: 10.1061/(ASCE)GM.1943-5622.0000024. © 2011 American Society
of Civil Engineers.
CE Database subject headings: Discrete elements; Soil mechanics.
Author keywords: Discrete element modeling; Particulate soil mechanics.
Introduction numerical tools that can be used to address this gap in understand-
ing because particle-scale interactions that cannot be measured in
Soil is a particulate material; consequently, its response to applied laboratory tests can easily be monitored in “virtual” tests. Discrete
loads and deformations is highly complex, even if consideration is element methods can also overcome some of the limitations of
restricted to particles exceeding 100 μm in size. This is the size more conventional continuum mechanics based approaches in
limit (approximately) at which the particle response becomes do- which the development of finite displacements or localizations
minated by inertia considerations, i.e., the magnitude of the surface within the material require remeshing and pose convergence chal-
interaction forces become negligible in comparison with the par- lenges to convergence of numerical models.
ticle inertia. For the purposes of the discussion presented in this The use of discrete element modeling (DEM) is increasing
study consideration will be largely restricted to materials with a within the geomechanics research community; and although its use
D50 exceeding 100 μm, and such materials will be referred to as in industry is less commonplace, this situation is likely to change
granular materials. Referring to Feda (1982) or Potyondy and with increasing computing power. The objective of this paper is
Cundall (2004), for example, a list of response characteristics to provide a overview of the application of particulate discrete
for granular materials that includes the nonlinearity of the stress element modeling in geomechanics. It must be recognized that a
strain response curve; the dependence of the response on the very large number of researchers have been developing and using
material state [in which the term “state” refers to a combination DEM to study granular material response; therefore, an exhaustive,
of void ratio and effective stress and can be quantified by using complete review of the field within a single paper would be impos-
the state parameter as defined by Been and Jefferies (1985)]; sible. Furthermore, the review is presented from the perspective of
anisotropy, sensitivity of the response to the intermediate principal one researcher, working within one application area, and a resultant
stress, and stress dependant stiffness can be developed. Although bias in the material selected is inevitable. Recognizing these lim-
significant progress has been made in advancing understanding of itations, it is intended that the contents will provide information
granular material response over the past 50 years within the geo- for researchers who do not use DEM to advance understanding of
mechanics community in particular (e.g., development of critical the method to the broader geomechanics community so that both
state mechanics framework for soil response), the relationship experimentalists and those who use continuum analysis approaches
between the particle-scale interactions and the overall material re- can better appreciate the potential to use DEM results to guide their
sponse is not completely understood. Discrete element methods are own research. The initial section of the paper presents a brief review
1
of the variety of geomechanics studies that have been published in
Senior Lecturer, Skempton Building, Imperial College London, DEM over the past 10 years. The overall DEM algorithm is then
London SW7 2AZ, U.K. E-mail: cath.osullivan@imperial.ac.uk presented, and some techniques used to interpret the results of
Note. This manuscript was submitted on July 28, 2009; approved on
June 30, 2011; published online on July 2, 2011. Discussion period open
DEM analyses are introduced. Methods used to validate and cal-
until May 1, 2012; separate discussions must be submitted for individual ibrate DEM studies are then presented. Throughout these discus-
papers. This paper is part of the International Journal of Geomechanics, sions, emphasis is placed on the use of DEM in micromechanics
Vol. 11, No. 6, December 1, 2011. ©ASCE, ISSN 1532-3641/2011/6-449– studies to advance understanding of fundamental material response.
464/$25.00. The final section of the paper then discusses the use of DEM to
their interactions. As outlined by Duran (2000), for example, par- reference for DEM analysts because the modeling and interpreta-
ticulate DEM models can be classified as “soft sphere” or “hard tion approaches used are more clearly outlined than in typical
sphere.” Poschel and Swager (2005) give useful, detailed descrip- DEM-related papers, furthermore the authors discuss rather frankly
tions of the various particle-based approaches available to model both the advantages and limitations of their model, in addition to
granular materials, only the broad concepts are presented in this both specimen generation and interpretation of DEM particle-scale
study. Fig. 1 illustrates schematically the differences between these results.
two modeling approaches. In the soft-sphere approach, a small Zhu et al. (2007) provide information on the number of DEM-
amount of overlap is allowed at the contact points, and this overlap related publications each year from 1985 to 2005 across a range of
can be considered analogous to the deformation that occurs at the disciplines by using the Web of Science database. Their data were
contacts among real soil particles. The magnitude of this overlap updated in the current paper by using the Web of Knowledge data-
can be related to the interparticle contact force, as discussed base (Thomson Reuters 2009) and searching and accessing the key-
subsequently. Most particulate mechanics models used in the words discrete element method/model, distinct element method/
geomechanics community adopt this approach. In contrast for the model, discrete particle simulation/method/model, and granular dy-
hard-sphere approach (Hoomans et al. 1996), no overlap is allowed namic simulation. The results of this analysis are presented in Fig. 2.
between particles. Contacts are assumed to be of short time dura- There has been a continuous increase in the number of papers pub-
tion, and particle motion is calculated by considering the energy lished per year over the past 20 years, and since 1996, approxi-
loss during collision and modeled by using a coefficient of resti- mately 17 additional papers are published each year (excluding
tution. Within a geomechanics context this approach probably only data for 2009, which is incomplete)—an almost linear rate of
suited for rapid granular flow simulations. Given the prevalence of increase. This search indicated that a total of almost 1950 papers
soft-sphere approaches in geomechanics, no further consideration relating to discrete element type simulations were published
of the hard-sphere algorithms is given in this study. between 1977 and the end of 2008.
Although knowledge of the overall use of DEM in physical
Trends in DEM Use within the Research Community and mathematical sciences and engineering is interesting, a better
Granular materials are encountered in a variety of disciplines appreciation of the current state of practice regarding DEM use
outside of soil mechanics and geotechnical engineering. Most within the geomechanics community is presented in this paper fol-
notably, chemical and process engineers also regularly adopt DEM lowing a review of a number of international geotechnical journals.
in their research. The complexity of granular material response has The journals considered were the Canadian Geotechnical Journal,
attracted interest from mathematicians and physicists who use Computers and Geotechnics, Geomechanics and Geoengineering:
DEM simulations to generate data to guide understanding of the An International Journal, Géotechnique, the International Journal
fundamentals of granular material response. Recent conference of Geomechanics, the International Journal for Numerical and
proceedings (Nakagawa and Luding 2009) illustrate the range of Analytical Methods in Geomechanics, the International Journal
applications of DEM across these disciplines. Much information of Rock Mechanics and Mining Sciences, the Journal of Geotech-
on the applicability of DEM to advance understanding of granular nical and Geoenvironmental Engineering, and Soils and Founda-
materials for geomechanics applications can therefore be gained tions. Reading every single paper in these journals would be
by reference to journals in these other disciplines. Two particularly prohibitively time consuming; consequently, discrete element
Fig. 1. Schematic diagram illustrating the differences between hard-sphere and soft-sphere particulate modeling approaches; particle velocities before
interaction are given by v1 and v2 ; post interaction velocities are given by v01 and v02
closely linked to Trubal (PFC 2D 2009a; PFC 3D 2009b). The impression of the issues associated with implementing the algo-
recent increase in available alternative commercial DEM codes rithm, refer to Kozicki and Donze (2008).
(EDEM; DEM Solutions 2009) and open source research codes The initial phase in the simulation is to define the system geom-
(Kozicki and Donze 2008; Xiang et al. 2009) mean that the domi- etry including the boundary conditions. Referring to Fig. 5, the
nance of Trubal and its derivatives may decrease in coming years. most common particle geometries are disks (2D) and spheres (3D).
The contact dynamics method (Jean 1999) is also used within the Their prevalence is a consequence of the computational cost of
French geomechanics/particulate modeling community in particu- DEM simulations. When disks or spheres are used, the distance
lar (Silvani et al. 2009). Many DEM codes also exist outside the between particles can easily be determined from the centroidal
geomechanics community (CSIRO 2009). coordinates and the particle radii. Consequently, identification of
contacting particles and calculation of contact forces is straight-
forward. When one uses ellipsoidal particles (Lin and Ng 1997), a
Method Overview
nonlinear equation must be solved in each time increment at each
Fig. 4(a) provides a schematic overview of the sequence of calcu- contact point. A compromise is to use “clumps” or “clusters” of
lations involved in a DEM simulation, assuming the central differ- DEM particles by either bonding them together by allowing tensile
ence, distinct element algorithm proposed by Cundall and Strack and cohesive forces at the contact points (McDowell and Harireche
(1979) is adopted. Fig. 4(b) illustrates the calculation sequence 2002) or by bringing the particles together into single rigid agglom-
within each time increment. The DEM algorithm is a dynamic, erate by using the subparticles for calculation of contact forces and
or transient simulation, in which the dynamic equilibrium of each considering the equilibrium of the entire agglomerate when updat-
particle is considered at discrete time increments. To gain an ing the system geometry (Favier et al. 2001). Nezami et al. (2007)
Fig. 4. (a) Overall calculation procedure; (b) sequence of calculations completed within each time increment
used 3D polygonal particles, limiting consideration to a finite range proposed a rolling resistance model that extends the earlier rota-
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of polygonal geometries. tional resistance model proposed by Iwashita and Oda (1998) as
Having chosen the particles, placing them within the domain to the contact spring modeling rotational resistance depends on the
generate the DEM particle assembly for simulation of the boundary contact area (as do the normal and shear contact springs) and
value problem of interest is arguably more challenging than prepar- the Jiang et al. model also includes viscous damping. Looking
ing controlled reconstituted sand specimen physical element tests at a smaller scale, but also accounting for the non smooth nature
in experimental research, and in fact, may be more time-consuming of real soil grain surfaces, Jiang et al. (2009) include roughness
than the analysis of the boundary value problem of interest. in their model by simulating the asperities on particle surfaces by
Potyondy and Cundall (2004) include a detailed description of engaging a systems of normal and shear springs acting in parallel
one common approach to specimen generation involving the gen- when particles come into contact. Kuhn and Mitchell (1992) were
eration of nontouching particles at random locations within the probably the first researchers to use DEM to examine the influence
problem domain; the radii of all the particles are then systematically of particle interactions on macroscale creep from a geomechanics
increased to achieve a target void ratio and finally a specified initial perspective. More recently, this concept has been further developed
stress state is achieved by moving the boundary walls. The second by Wang et al. (2008).
two stages of this system themselves involve DEM simulation Granular materials of interest to geotechnical engineers are
cycles. Alternative approaches to directly construct a dense system not simply two-phase (particle-void) materials, and contact models
of particles without DEM simulation cycles include triangulation- have been developed to account for the influence of additional
based approaches (Jerier et al. 2009) or the advancing front type material phases on the material response. Although simulating fully
algorithms (Bagi 2005). saturated response using DEM is considered subsequently, unsatu-
The final significant decision to be made at the input stage is the rated or partially saturated soil response poses a particular chal-
contact model. The philosophy of DEM is to use rigid “penalty” lenge to geotechnical engineers, and a number of research groups
springs acting both normal and tangentially to the contact points have been examining the fundamental mechanics of unsaturated
to calculate the interparticle forces. The force displacement rela- soil response by using DEM. Gili and Alonso (2002), Jiang et al.
tionship for these springs is sometimes called a contact constitutive (2004), Richefeu et al. (2008), El Shamy and Gröger (2008), and
model. Probably the most commonly used contact model is the Scholtès et al. (2009) have all proposed contact models to represent
linear no-tension spring slider in the normal direction, coupled with the interparticle tensile and cohesive forces that arise because of
a linear spring-slider system in the tangential direction. Elastic capillary tension in partially saturated soils. DEM contact models
theory, if applied to contact between two elastic spheres, yields have also been developed to model alternative phases of the
a nonlinear force deformation response at the contact point. A non- material in composite granular materials. Abbas et al. (2007) and
linear elastic normal force displacement relationship can be devel- Collop et al. (2007) both used viscoelastic spring dashpot contact
oped by considering the response of two elastic spheres in contact models to represent the viscosity of the binder between particles in
following the work of Hertz (Cundall 1988); refer to Johnson asphalt. Contact models to simulate response of cement between
(1985) for a detailed description of Herztian contact theory. The the particles have also been proposed. In the simplest case, the con-
corresponding tangential force displacement relationship is based tact model is extended to transmit tension between the particles.
on the work of Mindlin and Deresiewicz (1953). Although most This approach is adopted by Kulatilake et al. (2001) in 3D to model
implementations ignore the dissipation of energy before gross rel- the response of a cemented sand (analogous to rock mass). Wang
ative sliding of the particles, Thornton (1999) and Thornton and and Leung (2008) used small disks to represent the cement phase of
Yin (1991) have proposed a contact model that captures the preslip the material with a simple tensile contact model used to model the
plastic response and resultant energy dissipation. Cavaretta et al. contact between the cementing disks and between the cementing
(2010) have demonstrated that even for relatively simple manufac- disks and the larger “soil” disks. Utili and Nova (2008) also used
tured materials, real particle contacts do not follow elastic theory, this approach to model response in the contact normal direction;
rather plastic yield of asperities exist before the development of an however, consider two alternatives regarding the relationship be-
elastic response occurs. Walton and Braun (1986) proposed a linear tween contact shear strength and normal force postrupture. This
normal contact model that can capture the dissipation and harden- simple linear-tensile contact force model has also been used to
ing induced by the contact loading history. Many analysts (Cleary simulate the response of sandstone rock mass (Cook et al. 2004).
2000) include a viscous dashpot in their contact models. The en- Although Camborde et al. (2000) also adopt this simple approach to
ergy dissipation that occurs in which either by using the Waltron model tensile forces, their work is distinguished by their use of non-
Braun model or a viscous dashpot can be related to a coefficient circular particles and the nonlinear, hysteretic model for contacts
of restitution as adopted in the hard-sphere models considered in compression. Potyondy and Cundall (2004) describe a “parallel
previously. bond model” that can transmit moments, normal (tensile and com-
Some recent studies have developed new approaches to contact pressive) forces, and shear forces. Although they discuss the appli-
modeling for geomechanics. Recognizing that the nonconvex, non- cability of this model to sandstone, the simulations presented aim to
smooth contact that develops between real soil particles adds a capture the response of mass granite. This model is available within
resistance to rotation at the contact points, Jiang et al. (2005) the commercial DEM code, PFC2D, and has been used to model
describe particle interactions. The range of interaction models that Original DDAD
Formulation
have been considered to date extends beyond the publications cited Modified DDAD
in this study, and this promises to be an interesting area of DEM Formulation
Fig. 7. DEM boundary conditions (a) rigid boundaries enclosing biaxial test specimen; (b) rectangular periodic boundaries; (c) circumferential
periodic boundaries for axisymmetric analyses; (d) mixed boundary environment for simulation of triaxial tests including flexible membrane
and circumferential periodic boundary
surfaces that can be planar or curved. These boundaries themselves stress-controlled boundary, is illustrated in Fig. 7(d). Details on the
have no inertia; the contact forces determined at particle-boundary implementation of stress-controlled boundaries in both two and
contact are used to update the particle coordinates only. Servo con- three dimensions are given by Cheung and O’Sullivan (2008). By
trol algorithms can be developed to control the internal stresses by considering the evolution of locatizations within their 2D and 3D
moving these boundaries. Fig. 7(b) is an illustration of a periodic specimens, and the distribution of forces acting on the particles
boundary. Periodic boundaries have been used in a number of along the specimen boundaries, Cheung and O’Sullivan concluded
geomechanics-related publications, including Thornton (2000) that although the overall observed material response is not highly
and Ng (2004). Where periodic boundaries are used, the granular sensitive to the boundary conditions, the particle-scale interactions
material is assumed to be infinite in extent. In the DEM simulation differ significantly when simulations on equivalent specimens with
it is then assumed that the material can be represented by repeated, rigid and flexible lateral boundaries are compared.
identical representative elements. For each element then, contact In experimental geomechanics, consideration is typically given
detection occurs between particles along the left and right bounda- to the relationship between the particle diameter and the specimen
ries and particles along the top and bottom boundaries. A global size. It would be rare to see a physical experiment (e.g., triaxial test)
strain field can be applied to simulate strain controlled tests or performed on a sample that is less than approximately 10–20 times
stress-controlled (servo-controlled) tests. Cui et al. (2007) proposed the size of the largest particle in the system. This rule is not always
extension of the periodic cell concept to axisymmetric problems. strictly adhered to in DEM simulations, with the simulation com-
In this case, a pair of circumferential periodic boundaries is intro- putational cost obviously limiting the number of particles that can
duced, as illustrated in Fig. 7(c), allowing an axisymmetric problem be included in the virtual samples. One way to avoid this problem
to be simulated by simply considering a single “slice”. The final is to use a periodic cell (e.g., Thornton 2000; Ng 2004). If the
type of boundary condition of interest in geomechanics applica- motivation for the DEM analysis is to understand how the particle-
tions is a stress-controlled boundary. When a stress-controlled scale mechanics influences the overall approach within the boun-
boundary is used, particles along the outside of the specimen are daries of a laboratory test apparatus, then size effects/number of
identified, and force is applied to each of these particles to achieve particle effects must be considered. Emergence of localizations
a specified stress condition. These boundary conditions are useful cannot be considered within the periodic cell. One approach that
for simulating triaxial tests and capturing the postpeak response. might be adopted is to repeat the simulation on a single sample
A three-dimensional illustration of a mixed boundary simulation, with the same particle-scale properties, fabric, and packing density,
including use of a Voronoi diagram to calculate the forces along a but with different numbers of particles. If the response observed
Legend
20 PFC Analysis 20
0% Std Dev.
of Rod Radii Legend
PFC Analysis PFC Analysis
1% Std Dev. 0% Std. Dev.
15 15 of Rod Radii
of Rod Radii
PFC Analysis PFC Analysis
2% Std Dev. 2% Std. Dev.
of Rod Radii of Rod Radii
10 10
Physical Test PFC Analysis
Borosilicate Rods 5% Std Dev.
(Thomas, 1997) of Rod Radii
5 5
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0 0
0 0.01 0.02 0.03 0.04 0.05 0.06 0.07 0.08 0.09 0.1 0 0.01 0.02 0.03 0.04 0.05 0.06 0.07 0.08
Axial Strain Axial Strain
(a) (b)
(c)
Fig. 8. Sensitivity of response in 2D biaxial tests to number of particles in simulation: (a) 224 disks subject to small geometrical variations between
specimens; (b) 896 disks disks subject to small geometrical variations between specimens; (c) 5,728 disks and 12,512 disks with equivalent porosities
and particle and contact properties
does not change when the number of particles is increased, then of the pore fluid is desired, most notably to develop an understand-
the analyst could restrict detailed parametric studies to the smaller ing of the micromechanics underlying soil liquefaction during
of two samples whose response was equivalent. It is rare for such earthquakes. Ng and Dobry (1994) demonstrated that qualitatively
upscaling studies to be documented in DEM-related publications; reasonable results can be obtained when undrained cyclic tests
however, Potyondy and Cundall (2004) considered this issue in are simulated without explicit consideration of the pore fluid, but
detail. Fig. 8 illustrates the results of simulations on three sets of assuming a constant specimen volume during the simulations.
2D DEM biaxial test simulations described by O’Sullivan (2002) Explicit consideration of the pore fluid is most often achieved
and O’Sullivan et al. (2002). In Figs. 8(a) and 8(b), biaxial test by using the coarse grid approximation proposed by Tsuji et al.
simulations were repeated on specimens of 224 and 896 disks, re- (1993). In this approach, the flow within each individual pore of
spectively. The sensitivity of the macroscale response to the small the granular material is not modeled; rather, the fluid phase is re-
geometrical variations was significant for the 224 disk specimens, solved at a discretization scale that is typically 10 times the average
but less notable for the 896 disk specimens. In Fig. 8(c), the particle diameter. With subtle differences, this is the approach
response of two equivalent specimens with 5,728 disks and 12,512 adopted by Kafui et al. (2002) and Zegal and El Shamy (2004).
disks is shown to be very similar. Although the results presented Shafipour and Soroush (2008) includes an interesting discussion
in Fig. 8(c) indicate that upscaling of DEM results to samples with comparing the response of a model by using a fully coupled
larger domain sizes is possible, care should be taken in extrapolat- formation with equivalent constant volume simulations.
ing these findings to simulations with different boundary condi-
tions, particle geometries, or particle size distributions.
Obviously a key issue in soil mechanics is the relationship Micromechanical Analyses
between soil response and water pressure for saturated soil. In
developing an understanding of drained material response, the From a fundamental or theoretical geomechanics perspective, DEM
assumption of a dry material without a pore fluid is reasonable. is an incredibly powerful tool because it allows a look inside the
However, many applications exist in which explicit consideration granular material and the development of an understanding of the
The strong force chain plots and the particle displacement and Φij ¼ nn ð3Þ
Nc i i j
rotation plots really provide only qualitative information on the
material structure and the evolution of the material structure during where N c = total number of contacts in the system; and ni and
loading. Various analysis approaches can be adopted to analyze the nj = components of the unit vector normal to the contact point
data generated in DEM simulations and to provide meaningful, in the i- and j-directions, respectively. Alternative definitions of
1XNc
σ ij ¼ fl ð6Þ
V i ij
branch vector is the vector connecting the centroids of the two par-
ticles contacting at contact c. As outlined by Potyondy and Cundall
the fabric tensor use the same functional form but consider either (2004), the stresses on individual particles (σpij ) can be calculated as
the orientiation of the branch vector or the particle long axis ori-
1 X c
Nc;p
entation. The fabric tensor is a 2 × 2 matrix in two dimensions and σ pij ¼ jxi xpi jnc;p
i fj
c
ð7Þ
a 3 × 3 matrix in three dimensions. Considering the stress tensor, Vp i
the magnitude and orientation of the principal stresses can be cal-
culated by determining the eigenvalues and eigenvectors of the where V p = particle volume for particle p; N c;p = total number of
stress tensor. Similarly, the principal values of fabric (ϕ1 and ϕ3 ) contacts involving particle p; xpi and xci = vectors describing the
and their orientation can be calculated by considering the eigenval- particle and contact coordinates, respectively; nc;p
i = normal vector
ues and eigenvectors of the fabric tensor. When analyzing the stress describing the position of the contact relative to the particle cent-
tensor, a stress ratio is often looked at, normalizing the deviator roid; and f cj = vector describing the force at contact c. The deriva-
stress by a measure of the mean stress; however, when the fabric tion of this expression is similar to that of Eq. (6). An alternative
tensor is defined with Eq. (3), the trace of the tensor is 1; conse- approach to homogenization then is to perform an averaging
quently, normalization is not required. The orientation of the major operation over the stresses calculated for each particle. With these
principal fabric Φ1 is a measure of the average orientation of approaches to calculation of stresses in arbitrary volumes, the non-
the dominant fabric in the material, and the difference in fabric uniformity of stress conditions within element tests such as the
Φ1 Φ3 gives a measure of anisotropy. Alternative measures of direct shear test, can be calculated (Cui and O’Sullivan, 2006).
anisotropy, by using the fabric tensor is to use the ratio ϕ1 =ϕ3 . To In a DEM analysis, two points in time are picked and the incre-
quantify three-dimensional anisotropy, Barreto et al. (2009) consid- ment in strain between these two points from the displacements of
ered the idea of using an invariant of the fabric tensor as follows: the particles is calculated. The simplest way to do this is to triangu-
late the system with the vertices of the triangles as the particle cent-
1 roids and then to assume that the displacement gradient in each
pffiffiffi ½ðϕ1 ϕ2 Þ2 þ ðϕ1 ϕ3 Þ2 þ ðϕ2 ϕ2 Þ2 ð4Þ
2 triangle is linear. O’Sullivan et al. (2003) and Wang et al. (2007)
proposed alternative nonlinear approaches to calculating strain by
An alternative to use of the fabric tensor is the harmonic using wavelet functions. O’Sullivan (2002) demonstrated that the
approach (Rothenburg and Bathurst 1989). In this approach, the local nonlinear approach is more effective at capturing localiza-
contact orientations are assigned to discrete angular intervals; in tions, particularly in three dimensions.
essence, a polar histogram is created. Then a curve is fitted to the The relationships between the particle-scale responses and the
polar histogram giving an analytical form overall material response can be derived from numerical experi-
1 ments, i.e., in which the micromechanisms and overall macroscale
EðθÞ ¼ ½1 þ a cos 2ðθ θa Þ ð5Þ response are measured independently on a single specimen and
2π
subsequent correlation of the two data sets. Alternatively expres-
where a = parameter defining the magnitude of anisotropy; and θa sions that have been developed from theoretical considerations
defines the direction of the major principal fabric orientation. The can be considered. For example, Cowin (1985) proposed a frame-
equivalence of both approaches to quantify fabric can be appreci- work to relate the fabric tensor to a fourth rank (elastic) stiffness
ated by reference to Kanatanai (1984). tensor, and Chang (1993) and Chang and Liao (1990) have dem-
Alternatively, graphical methods can be used. In the simplest onstrated the ability of their theoretical micromechanical-derived
case, a polar histogram of the contact forces is looked at, and continuum models to predict both macroscale and mircoscale
the bins in the histogram can be colored to indicate the average material response. Oda and Iwashita (1999) include an overview
force magnitude within the angular interval so that information of many of the key references in this area.
about the biased orientation of the larger forces along one particular
orientation can be appreciated (Fig. 11). Within the geomechanics
community, conventional approaches analyze stress (e.g., stress Validation
path plots using axes of mean and deviatoric stress); however, at
this time, no consensus has emerged on the most appropriate ap- Validation can be approached in two ways: analytical or experimen-
proach to use to quantify fabric. tal. In the case of analytical validation, in the first instance simu-
lations considering contact between simple two particle systems or
single particles interacting with a boundary are informative. For
Calculation of Stress and Strain example, O’Sullivan and Bray (2003) demonstrated that simulating
a ball rolling down an inclined plane is a useful test to confirm
In a FEM analysis, stress and strain are considered. However, in appropriate implementation of the shear contact model in DEM co-
a DEM analysis, the calculations are in force and displacement. des. Another example of use of a simple system in DEM validation
Fig. 11. Polar histograms shaded according to average force in each histogram bin normalized by overall average contact force to illustrate weighting
of contact force magnitude in different directions (O’Sullivan and Cui 2009)
is by Munjiza et al. (2003), who validated their time integration particle geometry can be replicated in the DEM simulations.
algorithm for updating the rotations of nonspherical particles in DEM simulations indicate a dependence of the response on the as-
three dimensions by considering the motion of a single nonspheri- sumed friction coefficient; consequently, accurate knowledge of the
cal particle subject to various initial angular velocities. Analytical surface friction coefficient is required for input into the simulations.
validation of the ability of DEM codes to simulate the response As highlighted by Cavaretta et al. (2010), experimentally determin-
of multiple interactions is more challenging because most dense ing the coefficient of friction is nontrivial. O’Sullivan et al. (2002)
assemblies of particles form statically indeterminate systems. How- demonstrated that where a lattice packing is used, although a
ever, as proposed by Cundall and Strack (1979), simulation of the one-to-one mapping between the particle locations in the DEM
response of lattice packings of uniform particles is very useful. simulation and the experiment can easily be obtained, the system
Both Rowe (1962) and Thornton (1979) propose analytical expres- response is very sensitive to small variations in particle geometry.
sions for the peak strength of uniform assemblies of spheres that The importance of coupled fluid-particle DEM simulations has
are useful for DEM code validation (O’Sullivan and Bray 2002; been mentioned previously, and Suzuki et al. (2007) discuss ana-
O’Sullivan et al. 2004) lytical validation of such coupled models.
The response of specimens of uniform regular disks and spheres
differs significantly from the response of soil. Consequently, ex-
periments are needed to validate the ability of a DEM code to sim- Calibration
ulate more realistic features of soil response. In the first instance, it
can be useful to use regular packings in these validation studies to In DEM calibration exercises, the DEM model can capture intrinsic
avoid erroneous code validation, as demonstrated by O’Sullivan features of granular materials (dilatancy, localization, and stress
and Bray (2002). Simulations of DEM using spherical particles dependency of response). However, the DEM model simplifies the
or circular rods (Schneibli) are particularly useful because the complexity of the real physical system, most notably in modeling
used. They also demonstrate that a DEM model may capture the the macroscale responses may be similar, the particle-scale inter-
strength observed in different physical tests in different manners, actions of nonspherical particles will differ from the particle-scale
giving the example of a DEM model material that captures the interactions between highly frictional, spherical particles. Care
material response in uniaxial compression, but understimates the should also be taken when using two-dimensional particles to
strength once a confining pressure is applied, and then over esti- represent real soil grains. Real soil will develop contacts in the
mates the strength in Brazilian tests. Yoon (2007) includes a par- out-of-plane direction; consequently, the micromechanics will be
ticularly detailed discussion of optimization of calibration. different. Carrying out two-dimensional DEM simulations in which
Probably the most interesting published calibration exercise mechanisms can be more easily visualized has merit; however, as-
has been the work of Robertson (2000), McDowell and Harireche semblies of two-dimensional DEM particles must be considered as
(2002), Cheng et al. (2003), Cheng et al. (2004). These series of analog soils. Along the same argument, the validity of calibrating a
publications document the evolution of insight into the influence of 2D DEM code against data obtained in a 3D physical test (Utili and
particle crushing on macroscale soil response, and are probably the Nova 2008; Yoon 2007) must be carefully considered, especially
best recent example, of the way DEM can link particle scale and when 2D DEM models calibrated against a single physical test are
macroscale soil response. The approach used in these studies is to then applied to model field/industrial scale problems. It may be that
simulate each particle in a DEM simulation as an aggregate of rigorous validation studies should demonstrate the ability of the
bonded spheres. The aggregate is generated following the approach model to quantitatively simulate the material response for different
proposed by Robertson (2000), which uses a hexagonal-closed- types of tests, with different test boundary conditions and the
packed assembly of bonded spheres, reflecting the crystalline variation in observed response as testing conditions (e.g., stress
nature of the particle material, with selected numbers of spheres level) vary.
being removed to represent the flaws present in real soil particles,
McDowell and Harireche (2002) then demonstrated that a distribu-
tion of strengths with a realistic Weibull modulus can be captured Field or Industrial Scale Studies
(i.e., the size-strength relationship observed in crushing tests on real Typically, geomechanics studies are application driven. Although
soil particles can be reproduced) by initially removing a random use of DEM to study soil micromechanics may guide development
number of balls within prescribed limits. Cheng et al. (2003) of more sophisticated and reliable continuum models; at an indus-
showed that these particles could be calibrated to reproduce both trial scale, probably more interest in the potential for DEM to sim-
the response of single silica sand particles in single particle com- ulate large deformation problems of industrial relevance exists. The
pression tests and the response of an assembly of particles (sample principal challenge in the use of DEM in this way, however, is the
of silica sand) in isotropic compression (in this case, normalized number of particles that are included in the DEM models. Although
void ratios and mean effective stresses were compared). As the Cundall (2001) predicted that by 2011 a DEM simulation involving
model was calibrated at both the particle and macroscales, interpre- 10 million particles would constituted an easy problem, referring to
tations of the relationships between particle-scale response and Fig. 2, it is clear that within the geomechanics research community
overall response could be made with confidence. Cheng et al. the largest simulations are one order of magnitude smaller than this
(2003) could then clearly demonstrate the extent to which particle aspiration. Nevertheless, DEM simulations can provide insight into
crushing dominates the material response along the normal com- the mechanisms involved in field-scale applications.
pression line and the influence of particle crushing on undrained The penetration problems of greatest interest within the geome-
(constant volume) soil response. This modeling approach was also chanics community are probably pile installation and cone penetra-
used by Cheng et al. (2004). For DEM samples that are lightly over- tion test (CPT) simulation. Considering CPT simulations, a notable
consolidated at yield, yield surfaces are contours of grain breakage, early simulation is the work of Huang and Ma (1994) who simu-
whereas for samples that were more heavily overconsolidated at lated CPT installation by using a system of two-dimensional disks
yield, the response trends proposed in published stress dilatancy and assuming symmetry only modeled half the problem domain,
theories were captured, and grain breakage was confirmed as the installing a rigid wall along the axis of symmetry. Jiang et al. (2006)
reason for the peak friction angle decreasing with increase of stress also simulated CPT testing in two dimensions. Lobo-Guerrero and
for these samples. Although the micromechanical analyses by Vallejo (2005) considered pile installation (again in two dimen-
Cheng et al. (2003, 2004) tended to focus on bond breakages only, sions) and included a simplified approach to particle crushing in
Bolton et al. (2008) extended the micromechanical analyses; their simulations. Kinloch and O’Sullivan (2007) demonstrated that
included consideration of coordination number, deviator fabric, plug formation in open-ended piles can be captured in 2D DEM
and the energy stored in each agglomerate; and interpreted the simulations by using disks; however, their work highlighted the
response by using continuum-based models that consider energy challenge associated with developing a problem domain that is suf-
dissipation in granular materials. The series of linked papers cited ficiently large to minimize the effect of boundaries on the observed
in this study document a comprehensive study of fundamental response. Butlanska et al. (2009) considered CPT penetration in
granular material response that demonstrate how DEM can be used three dimensions, and inhibited rotation of their spherical particles.
Nezami et al. 2007). provide significant information regarding the long-term perfor-
mance of infrastructure, such as road pavements, embankment
dams subject to cyclic loading involving reservoir fluctuations, and
Conclusions earthquake loading. Such simulations are computationally expen-
As external observers of the benefits offered to geomechanics by sive; however, increases in computing power and improvements in
DEM, in their recent review paper on developments in constitutive DEM code efficiency should result in increased research efforts in
and numerical modeling from 1948–2008 Zdravkovic and Carter this area.
(2008) concluded that to date the primary use of distinct element It seems likely that considerable research effort will be
modeling has been inadvancing understanding of material response expended to improve the realism of DEM models, increasing
from the micromechanical point of view through simulation of the sophistication of DEM contact models, and incorporation of
element tests. In their review of likely research developments in more realistic particle geometries. As highlighted in this paper,
geomechanics from 2008–2068, Simpson and Tatsuoka (2008) sur- the physical tests required to guide the necessary improvements
veyed a large number of engineers working in both geomechanics in DEM contact models are nontrivial. Developments in image
research and in industry. Many respondents to this survey sug- analysis and micro computed tomography will provide opportuni-
gested that DEM will play a prominent role in developing future ties for microscale validation of DEM models.
analytical methods in geomechanics. Simpson and Tatsuoka iden- Discrete element modeling has the potential to considerably
tified the almost intractable challenge posed in which attempts are advance current understanding of soil response. To ensure that the
made to model each individual particle in a field-scale boundary geomechanics community as a whole has confidence in this tech-
value problem, but rather suggest that appropriate scaling param- nique, it is important that published DEM simulations are of high
eters be adopted so that appropriate insight can be gained, for quality. It is good practice to clearly document all input parameters.
problems involving finite deformations along shear bands or local- As discussed previously, the extrapolation of the results of 2D
izations in particular. Simpson and Tatsuoka identify the primary DEM simulations to guide understanding of 3D physical materials
future needs for DEM development to be more accurate modeling should be approached with caution, and it is more likely that quali-
of particle morphology and mechanical responses (including im- tative, rather than quantitative, correlation of 2D DEM models and
provements to contact constitutive models) and an increase in response of 3D materials is appropriate. DEM users should con-
the number of particles that can reasonably be included in simula- sider the need to have reasonable ratios of particle size: specimen
tions. These publications, coupled with the data presented in this size in their simulations that has long been recognized by exper-
study documenting the continued increase in research publications, imental researchers. Furthermore, studies to confirm the repeatabil-
including particulate DEM, indicates that this method of analysis is ity of simulation results are useful to ensure that the specimen size
well-accepted by the geomechanics community. considered is large enough to be statistically representative of the
In his Rankine lecture, Potts (2003) presented arguments both in material response. Developing an understanding of the material re-
favor of and against the use of numerical modeling in geotechnical
sponse within the critical state framework is also useful; for exam-
engineering. Although Potts’s discussion considered continuum
ple, rather than simply comparing the variation in peak mobilized
numerical modeling, his arguments against numerical modeling
stresses as a function of particle geometry, consideration of the
are equally applicable to DEM. In the case of DEM, Potts’s concern
variation in the position of the critical state line would be more
about uncertainties in the numerical algorithms is particularly rel-
appropriate. Knowledge of the material state is often needed for
evant for the challenge of integrating the rotational components of
motion when nonspherical particles are used (refer to Lin and Ng accurate interpretation of simulation results. The work of Maeda
1997, for example for further consideration of this issue). The con- (2009) is a nice example of the interpretation of DEM results within
tact constitutive models used in DEM models are a simplification the critical state mechanics framework that can provide significant
and idealization of reality. Cavarretta et al. (2010), have highlighted insight into field-scale problems.
the challenges associated with accurately describing the contact The National Academy of Sciences (2006) highlighted the need
response for real soil particles. Potts also argued that the results to understand the response of natural materials at the nano-, micro-,
from numerical analysis are user dependent. Although there have and global scales when identifying the opportunities for research
been few documented repetitions of DEM analyses, the prediction and technical innovation in geotechnics in the new millenium. Par-
competition described by Holst et al. (1999), in which DEM sim- ticulate DEM is a very powerful tool to understand the particle-
ulations of silo filling were compared, indicated that a wide scatter scale response of granular materials and will certainly play a role
can be obtained in DEM simulations of equivalent systems. in advancing research in this area. The effect of DEM on the field of
Key to the future development of DEM, and in the applica- particulate mechanics has already been significant, as evidenced by
tion of DEM to industrial or field-scale problems in particular will the highly cited papers of Cundall and Strack (1979) and Tsuji et al.
be to significantly increase the number of particles included in (1993) in particular, and it seems that this effect is likely to continue
DEM simulations. The implementation of DEM codes in a high to grow.
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