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SPH-DEM For Extremely Deformable Particles
SPH-DEM For Extremely Deformable Particles
1 Introduction
flow in porous media [18, 34], fluid-solid elastic interaction [21, 48], or bird
strikes on aircraft components [15].
To extend the fields of application of SPH, many studies have coupled
it with other methods, addressing in this way multiphysics problems [10].
Discrete Element Method (DEM) is not an exception in this context, and in
literature, SPH-DEM couplings were presented. These algorithms were used
to study fluid-solid interaction [19, 5] or impact of two solid objects — recently
giving high importance to the contact models used for solid-solid interaction
[44, 43]— in a regime of high deformations.
Being able to simulate highly deformed solids is of paramount importance
in many fields, an extremely wide and interdisciplinary example is the study of
granular matter. The way the deformability of the constituents of a granular
packing can drastically change the macroscopic properties of the system has
been observed in several contexts. An important example is the discharge of
a silo, where the flow field and clogging statistics are dramatically different
for hard and soft grains [2, 45]. Also, often times softness is an indispensable
quality of particles. We can think to biology, where forces involved in cell-cell
interaction, i.e. force chains, have implications in the transmission of infor-
mation in cells [36]. Deformable grains are of main interest also in the food
industry, where the change of the properties can have direct consequences on
the quality of the product [42]. As a final example, from a more fundamen-
tal point of view, recent experiments on photoelastic discs have shown that
asperities play a relevant role in the transition from variable to persistent
force chains in a granular packing [23], opening question on the influences of
irregularities in the jamming transition.
In the last years, some mesh-free numerical approaches have been proposed
to explore the phenomenology of deformable granular packings [29, 31, 4, 30] as
alternatives to the mesh-based methods already used by the community [17,
35].
In spite of its wide range of applications, to the best of our knowledge, the
SPH paradigm has never been methodically applied for a quantitative study of
a granular packing composed by deformable grains. In this paper, we present an
SPH-DEM coupling aiming at taking the best from both methods: the ability
to simulate large deformations from SPH, and the specialized contact models
for granular systems developed by the DEM community. Our goal is twofold:
first overcoming one of the main limitations of DEM models, undeformable
particles, and second, extending the use of SPH to particle resolved simulations
in the field of granular materials.
Here, we demonstrate how our coupling of SPH-DEM provides a viable
tool to address the study of packings of deformable grains. This numerical
approach enables to extract detailed information about the number of contacts,
overlaps, grain shape, and contact forces. On top of this, the data produced
can be used to study in detail mesoscale systems but also to reach macroscale
systems. Moreover, this method can be used to calibrate existing DEM models,
that participated in taking into consideration particle deformation [13], thus
allowing to transfer our results on an industrially relevant scale. Furthermore,
Title Suppressed Due to Excessive Length 3
the great flexibility in the possible geometries allows to study the effects of
the shape on different levels, from aspect ratio, to asymmetric particles, to the
presence of irregularities on the surface of interest.
2 Methods
2.1 SPH-DEM
The SPH code in our simulations is used for the computation of the physics
at the single grain scale. This means that only the discretization points be-
longing to the same grain interact within the SPH framework. The role of
this part of the code is the calculation of the strain tensor, and using a given
material model — in this work restricted to linear elasticity — computes its
corresponding stress tensor. The stress tensor will define the force applied on
each discretization point, which is then used for time integration. Technical
specifications of the SPH code are reported in appendix B.1. How two different
grains in contact interact and deform each other is mediated by the DEM part
of the code.
The inter grain interaction is mediated by the DEM code. When two grains
come into contact, the points used to discretize their boundaries come in con-
tact too. These interact via one of the contact models available in LIGGGHTS.
This means that the discretization points have associated with them also a
contact radius rc . For this reason, we therefore place the surface discretization
points at a distance rc from the surface we want to discretize.
We point out that the DEM interactions are active only between discretiza-
tion points belonging to different grains. This means that points belonging to
4 F.J. Castro, S. Radl
the same grain can be much closer than rc , without this causing any internal
stress because of repulsive forces.
In the following, we only use repulsive forces, in this case, the specific
contact law should not be critical since, for a clean simulation of grains in
contact, we want as less interpenetration as possible. We underline that in
this scheme the interpenetration between the boundaries of two grains is a
necessary ingredient for the interaction to happen. In order to avoid the effects
of an unphysical volumetric interpenetration of the grains, the stiffness of the
contact model — that we express here in terms of the associated Young’s
modulus — Yc needs to be higher than the stiffness defined in the material
properties of the grain. To be more precise, we consider two discretization
points with identical properties rc , Yc , and Poisson’s ratio νc , in contact. If
√ 3
they interact via a normal force of the type Fij = k r2c δij2 , where k = 3(1−ν
4Yc
2 ,
c)
we found that the simulations produce good results, is to say small grain
interpenetration, already for Yc = 5E, where E is the Young’s modulus of the
material of the grain. More details on the DEM interaction are described in
the appendix B.2.
3 3D uniaxial compression
present our analysis in terms of this force, hence the only relevant parameter
is the Poisson’s ratio, that we chose to be ν = 0.4.
To produce the data to compare, the implemented numerical setup con-
sists of three aligned purely elastic spheres discretized as in figure 1. The two
external spheres are slowly pushed against the one in the middle, then the
center-to-center distance and the contact force are measured.
To push the spheres we define, on the external side of the two lateral
spheres, a spherical cap. The thickness of the cap is 3.5rc , so the size and the
Title Suppressed Due to Excessive Length 5
3.2 Convergence
(a) (b)
fewer neighbors. For the simulation with Nsphere = 3731, we see that the data
is in good agreement with the analytical solution until δ/R ≃ 0.1, which is
satisfactory since we do not expect the Hertz law to hold for large overlaps.
′
Fitting a function of the form y = A′ δ γ to the simulation data, where A′
and γ ′ are fitting parameters, we want to verify that the Hertz contact law
is recovered with increasing accuracy by simulations with finer discretization.
The fit is done excluding the values of δ > 0.15, and the results are plotted in
fig 3.
We report the results for one additional simulation with Nsphere = 1028,
previously not reported for the sake of visual clarity. We observe that the
relative deviation from the analytical solution is converging to 0 with the
− 12
number of discretization points as ∼ Nsphere . The error in the evaluation of the
exponent in the contact force law, for the finer discretization, is ∆γ/γHertz ≃
0.06. Reaching a good agreement also according to this metric.
4 2D compression
Fig. 2: Force against overlap, data from different discretization, N is the num-
ber of discretization points per sphere in the simulation.
static pressure at the bottom of the packing PH = ρg0 h, hence a typical value
of the respective force FH ≃ πR2 PH , and equating with the elastic normal
force Fel = kn δ the expected relative overlap is δ/R ≃ πRρgh/kn . Following
this approximation, we can estimate the overlap to change from δ/R ≃ 10−4
with the initial gravitational acceleration to δ/R ≃ 10−6 when the gravity is
reduced. The packing we are obtaining has then minimal overlaps between the
different grains, this is important because in the next step we restart the simu-
lation from the configuration thus obtained, considering undeformed particles.
Every DEM particle is replaced by a disc, discretized by SPH particles,
which center and radius are identical to the starting DEM particle.
The discretization is done following the strategy mentioned in appendix
A.1, the average density of discretization points is 25.7 mm−2 , correspond-
ing to a discretization length a = 0.2 mm. This implies that the number of
(min)
discretization points per grain varies, from a minimum of Ndisc = 81 to a
(max) (tot)
maximum of Ndisc = 321, using a total of Nat = 52172 discretization
points for the grains. In this simulation, also the walls are discretized using
point particles, reaching a total of N tot = 54288 points.
The initial packing is contained in a box of length 62.7 mm and height
larger than the maximum height of the particles. To obtain a more compact
configuration before sampling, we apply some cycles of compression to reach a
more compact configuration, reaching the maximum packing fraction ϕmax ≃
0.995. Considering the speed of sound in the medium to be cs , the following
protocol is followed:
(i) first compression to reach a compact configuration at packing fraction
ϕ ≃ 0.80 with velocity v = 5 × 10−4 cs ;
(ii) the piston is kept fixed and the system is relaxed. During this relax-
ation, the system dissipates energy through collisions. The packing fraction,
although high, has not yet reached a value where the contact network prevents
any movements of the particles;
(iii) then compression at v = 10−4 cs to ϕmax and again the piston is fixed
in this position to let the system relax. In this state, particles are not free to
move anymore, and they are highly deformed;
(iv) the system is decompressed until reaching again the state at ϕ ≃ 0.81;
(v) repetition of the compression with v = 10−4 cs to ϕmax and again
relaxation, keeping the strain constant;
(vi) again decompression to reach ϕ ≃ 0.81 but now with v = 1.4 × 10−5 cs ,
followed by a relaxation;
(vii) final compression during which we collect the data, the piston is moved
with v = 5 × 10−5 cs until reaching ϕmax .
4.2 Results
Being both the DEM and the SPH codes originally developed in LAMMPS, as
for most of the packages the computational time scales as O(N/P ) [40] where
10 F.J. Castro, S. Radl
(a) Configuration for packing fraction (b) Compressed state, packing fraction
ϕ ≃ 0.81. ϕ ≃ 0.99.
5 Conclusions
Fig. 6: Evolution of the vertical stress σy∗ = σy /E with the packing fraction
during compression. The results of simulation with different Young’s mod-
uli are plotted. The data collapse on the same curve. The small systematic
∗
difference is caused by the uncertainty in the determination of ϕ0 and σy,0 .
Fig. 7: Detail from the initial part of the compression, σy∗ = σy /E. For very
small strains we observe a linear response of the system, as expected if the
particles were interacting via harmonic springs. We obtained the dashed line
from a linear fit on the log-log scale.
12 F.J. Castro, S. Radl
Conflict of interest
A Discretization algorithm
We describe first the discretization of a spherical shell, the algorithm for the sphere naturally
follows from it. After the radius of the shell R and a discretization pace a are defined, the
code places a series of circumferences, of different radius, parallel to each other, on the surface
of the shell. Each couple of consecutive circumferences has distance which approaches a from
below, and each circumference is discretized as described above. In this way we obtain a
set of points, at fixed distance from the center, which distance with the nearest neighbor is
always less than a.
To discretize a sphere of radius R, a series of shells are used. The first one of radius
R, the second one R − a, the third one R − 2a and so on until the center of the sphere is
reached.
To define the behavior of a given material, is to say how the stress tensor is computed
from the strain tensor, two models need to be specified: the material strength model, that
computes the off diagonal elements of the stress tensor; and an equation of state (EOS) that
computes its diagonal elements. This two are chosen to be linear elastic and the stress strain
relation is ( )
1
σ ij = KTr(ϵ)δij + 2G ϵij − Tr(ϵ)δij
3
Where σ is the stress tensor, ϵ the strain tensor, K and G are the bulk and shear modulus
of the material.
To fully determine the behavior of the SPH interaction, some additional parameters
need to be specified: q1 , that defines the strength of a linear viscous force between SPH
discretization points; q2 , a quadratic viscous term that we always set to zero; khg that
defines the strength of an hourglass correction force. All the parameters, together with the
kernel type and its length h, are specified in the table 1.
Further details on the SPH code can be found in [12,25] while the source code is available
in LAMMPS [40] and LIGGGHTS [22].
14 F.J. Castro, S. Radl
In all the simulations the contact interaction is only normal, hence there is no frictional
interaction directly acting through the DEM model. It is worth noting that in spite of
this, when two grains are in contact, some friction is introduced as a consequence of the dis-
cretization itself. Is indeed impossible, with our method, to obtain perfectly smooth surfaces,
although the irregularities can be reduced increasing the number of discretization points of
the surface.
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