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Generation of 3D microstructure model for

discontinuously reinforced composite by
modified random sequential...

Article in Journal of Engineering Materials and Technology December 2015

DOI: 10.1115/1.4032152

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Jiming Zhou1
Associate Professor
School of Mechanical Engineering,
Northwestern Polytechnical University,
Xian 710072, China
e-mail: zhoujm@nwpu.edu.cn
Lehua Qi
Professor
School of Mechanical Engineering,
Northwestern Polytechnical University,
Xian 710072, China
e-mail: qilehua@nwpu.edu.cn
Arun M. Gokhale
Professor
School of Materials Science and Engineering,
Georgia Institute of Technology,
Atlanta, GA 30332
e-mail: arun.gokhale@mse.gatech.edu
Generation of Three-
Dimensional Microstructure
Model for Discontinuously
Reinforced Composite by
Modified Random Sequential
Absorption Method
Computer simulation of mechanical behavior of discontinuously reinforced composites
containing randomly oriented short-fibers/whiskers presents an attractive opportunity for
reduction of the number of experiments and resources required for microstructure design
of such advanced materials. It is desirable to perform such simulations using microstruc-
ture model that accounts for randomness in angular orientations and locations of the
short fibers/whiskers. In this contribution, a methodology is presented for efficient simula-
tion of the required microstructural model through modification of well-known random
sequential adsorption (RSA) algorithm for microstructure simulation through its applica-
tion to the microstructure of Mgalloy matrix composite containing randomly oriented
short carbon fibers. The modified RSA algorithm enhances accuracy and efficiency of the
complex geometric details of the randomly oriented short-fiber reinforced composite
microstructure. Simulated microstructural model of composite is implemented in ABAQUS
to simulate the mechanical response of the Mgmatrix composite containing randomly
oriented short carbon fibers. The generated complex microstructure model in ABAQUS code
is sliced into thin slices for reducing computing resources. The simulated results from
multiple sliced models were averaged to approximate the result for the full volume ele-
ment. The simulated mechanical response by use of multiple sliced models is validated
via comparison with the experimental data. [DOI: 10.1115/1.4032152]

Keywords: microstructure model, discontinuously reinforced composites, modified

random sequential absorption (RSA), property prediction, sliced thin micromodel

1 Introduction [8,9]. Unit cell models [1012], microstructural models having

idealized geometric shapes, orientations, and spatial distributions
Heterogeneous materials containing high-stiffness reinforce-
of the reinforcement phase [13,14], as well as digital binary image
ment microstructural constituent distributed in a light ductile
windows of the MMC microstructure [1517] have been imple-
matrix are of considerable interest in materials engineering [1].
mented in the FE-based simulations of the micromechanical
Lightweight high-strength metal matrix composites (MMCs) con-
response of the MMCs.
taining short-fibers of the reinforcement phase form an important
Micromechanical response simulations have been performed
category of such heterogeneous materials. Modeling and simula-
using two-dimensional [18,19] as well as three-dimensional (3D)
tion of the mechanical response of MMCs can provide useful
[20,21] microstructural windows. Although two-dimensional sim-
input for the optimum design of their microstructural geometry
ulations that represent planestress, planestrain, or generalized
and can reduce the experimental costs required for the develop-
planestrain scenario can approximate the microgeometries found
ment of the MMCs [2]. Most importantly, numerical modeling is
in actual MMCs at comparatively moderate computational costs
a useful tool to interpret the relationship between the microstruc-
[22], they are not precise enough for predicting the effective elas-
ture and the mechanical or physical properties of composites
toplastic behavior of the composites. For example, the
which the scientific community is expected to be greatly inter-
planestress models tend to underestimate the strengthening effect
ested in Refs. [3,4]. Among them, modulus prediction is more
of the reinforcements, whereas the planestrain models tend to
common [5,6]. Finite elements (FE)-based methods that imple-
overestimate it. Consequently, the 3D microstructure models are
ment microstructure-based geometric models are widely used for
desirable [2,23].
such computational modeling and simulation studies [7]. Such
Construction of a 3D model of stochastic MMC microstructure
investigations require a geometric model of the microstructure of
is challenging [24], especially for the microstructures that have
the MMC, which is implemented in the FE-based framework to
high volume fraction of large aspect ratio reinforcement features
simulate the micromechanical response. The stressstrain behav-
(for example, short fibers or whiskers) that have random angular
ior of the composite can be calculated from such simulated data
orientations and spatial distribution [25]. An important reason for
the microstructure simulation difficulties is the high probability of
1
Corresponding author. overlaps/intersections between the simulated randomly orientated
Contributed by the Materials Division of ASME for publication in the JOURNAL OF
ENGINEERING MATERIALS AND TECHNOLOGY. Manuscript received April 29, 2015; final
reinforcement features, such as short fibers, even at very low rein-
manuscript received November 24, 2015; published online January 21, 2016. Assoc. forcement volume fractions [20]. Clearly, such overlaps/intersec-
Editor: Huiling Duan. tions are unrealistic. Therefore, they are not permitted in the

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 simulated microstructure. Consequently, it becomes increasingly
difficult and inefficient to simulate microstructures with randomly
oriented short-fibers/high aspect ratio reinforcement as the rein-
forcement volume fraction increases. We address this key issue in
detail in this contribution.
An efficient methodology is presented for simulating micro-
structure of MMCs containing relatively high volume fraction of
nonoverlapping randomly oriented short-fibers. A combination of
commercial MATLAB and ABAQUS software packages has been used
to generate the microstructure model through PYTHON script.
PYTHON can access ABAQUS model databases to automatically estab-
lish complex geometries based on geometrical position informa-
tion of the fibers calculated in the MATLAB. The methodology is
verified via its application to the simulation of microstructure of
Mgalloy (AZ91D) matrix composite containing 10% volume
fraction of carbon fibers having random angular orientations and
spatial distribution in the 3D microstructure. The perfect fiber/
matrix bonding interface has been assumed in the simulation for
the simplification.
Section 2 of the paper presents the new methodology for 3D
microstructure simulation via modified RSA algorithm, which is
followed by detection and treatment of fiber intersections/overlaps
and implementation of the simulated microstructural model in
ABAQUS. The methodology is then applied to Mgalloy (AZ91D)
matrix composite microstructure containing randomly oriented
short carbon fibers to simulate the micromechanical response and
stressstrain curves. The simulated stressstrain curves are then
compared with the experimental data to validate the simulations.
2 Generation of Fiber Preform Skeleton Model Using
RSA Algorithm
RSA is the common method to generate microstructure model
of composites reinforced by short fibers in literatures [5,26,27].
Fibers are inserted into the unit cubic space sequentially and ran-
domly so that they are not intersected. The most important thing
for RSA method is to determine if the new generated fiber inter-
sects with fibers in the unit cube. From the geometrical point,
fibers are line segments. We just need to calculate distances
between two line segments (corresponding to two fibers). If all
distances between each line segment are greater than the diameter
of fiber, line segments would not intersect between each other.
Distance calculation between two line segments can be done eas-
ily in MATLAB. So we combine the merits of MATLAB engineering
computing software and ABAQUS FE code to generate fiber preform
skeleton model first according to the flowchart in Fig. 1. Fiber
position and direction are computed in MATLAB program so that no
fibers are intersected. Similar methods have been taken in litera-
ture to describe the whisker position by its center point and two
Euler angles [28]. In our paper, fiber position only was determined
by two endpoints which embodied the length and orientation of
the fiber. Information related with fiber geometrical characteristics
was written into one file in text format through MATLAB. The result
file was then read into the ABAQUS code to generate fibers in fiber
preform space by PYTHON script. In what follows, the protocol to
generate the fiber information in MATLAB is described according to
the flowchart in Fig. 1(a):
(1) At the very beginning of the program, parameters related
with fiber and fiber preform model are set, which include
fiber length, fiber diameter, fiber preform size, minimum
distance between neighboring fibers, and desired volume
fraction.
(2) Given two ends of one segment (which represents fiber
position) inside the fiber preform model space randomly, it
is only used for the first distance comparison with new gen-
erated segment and will not be used to generate fiber. Thus,
iteration can be processed for later randomly generated
segments.
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(3) The first endpoint P0 of segment is generated randomly as
one of the fiber two ends in the cubic space. The intermedi-
ate point D1 was generated randomly with x, y, and z coor-
dinates in the range of [0.5, 0.5]. The unit random
direction vector OD1 between origin point O[0, 0] and in-
termediate point D1 can be obtained with unit norm which
can be represented by OD1 = k OD1 k. The other endpoint
P1 of segment can be determined by the first random point
P0 plus the product of fiber length multiplying unit random
direction vector, i.e., P1 P0 length  OD1 = k OD1 k.
Finally, points P0 and P1 were determined to represent new
randomly distributed short fiber.
(4) The new random two endpoints are filtered with distance
calculation function for two segments (refer to Sec. 3). If the
distance between the new generated segment (represented by
two endpoints) and existing one is greater than the diameter
of fiber (or the minimum distance imposed by the practical
limitations to create an adequate FE mesh), no overlapping
happens and the new generated segment is kept. Otherwise,
new iteration begins until new fiber is generated or will be
just discarded if iteration overflows a predetermined value.
(5) If the fiber is successfully generated, its volume will be cal-
culated and added to the current total fiber volume within
the fiber preform space.
(6) At the end of each iteration, the current total fiber volume
fraction is calculated and compared to the predetermined
volume fraction. The algorithm will continue unless it
meets either of the following conditions: the current fiber
volume fraction reaches or exceeds the requested volume
fraction; or the total iteration number overflows or exceeds
a preset value.
(7) Fiber preform is successfully generated. It is worth men-
tioning that the fiber preform generated in MATLAB is repre-
sented by the fiber end coordinates in fiber preform space.
It only records the position information for each fiber in
fiber preform space and has to be converted into the actual
geometrical fibers in ABAQUS code (refer to Sec. 4).
It is worthy to mention that the program can be used to generate
particulate or particulate/fiber hybrid preform although it is devel-
oped based on the fiber preform generation at very first. Ideal par-
ticulate can be represented by ellipsoid with long axis and short
axis. Spheroid is the special ellipsoid with the long axis equal to
the short axis. Particulate interaction can be avoided only if the
minimum distance between two long axes is greater than the short
axis. Ellipsoid was generated by revolving the semi-ellipse along
the long axis of ellipsoid in ABAQUS code. In the program, it is ease
to control if the fiber, particulate, or particulate/fiber preform is
generated by use of switch control.
3 Examination on the Intersection of Two Fibers
in 3D Space
The shortest distance between two line segments in the
space may not be the same as that between their extended lines.
The closest points on the extended line may lie outside the
range of segments. S1 and S2 are the two line segments ended by
P0, P1 and Q0, Q1 in 3D space as shown in Fig. 2. Any point
on the extended line of S1 can be represented by
Ps P0 sP1  P0 P0 su. When s is less than 0, it rep-
resents the negative ray of segment S1. When s is between 0 and
1, it means the segment S1. When s is greater than 1, it represents
the positive ray of segment S1. Q(t) is the same as P(s) for seg-
ment S2, Qt Q0 tQ1  Q0 Q0 tv.
Let ws; t Ps  Qt be a vector between points on the
two line segments. For example, w0; 0 P0  Q0 is the
distance vector between the beginning points on two line seg-
ments, which can be represented simply by w0 P0  Q0. The
closest points Pc(s) and Qc(t) for the infinite lines of S1 and S2 can
be determined by minimizing the length of ws; t Ps  Qt.
Transactions of the ASME
 Fig. 1 Flowchart of the modified random sequential absorption method

This is the same as minimizing jwj2 w  w w0 su  tv and tc are both in the range [0, 1], then they are the closest points
 w0 su  tv, which is a quadratic function of s and t. Actually, for the spatial two line segments. But if they are not in the range
jwj2 defines a paraboloid over the plane (s, t) with a minimum at [0, 1], we have to find new closest points on the segments. If sc or
C (sc, tc) (as shown in Fig. 3). It is obviously that P(sc) or Q(tc) tc is less than 0, it is set 0. If sc or tc is greater than 1, it is set 1.
may locate somewhere outside the segments (as shown in Fig. 2, On the other hand, sc or tc is dependent. Considering the edge
P(sc) or Q(tc)). The first step in computing a distance involving sc 0, along which jwj2 w0  tv  w0  tv. Taking the
segments is to get the closest points for the lines they lie on. w(sc, derivative with t, the minimum can be obtained when
tc) is uniquely perpendicular to the line direction vectors u and v.
This is equivalent to the two equations d
0 jwj2 2v  w0  tv (3)
dt
which gives a minimum on the edge at w0; tc , where
u  wc 0 (1)
v  w0
v  wc 0 (2) tc (4)
vv
By solving Eqs. (1) and (2), sc and tc can be obtained. The when 0  tc  1, this will be the minimum of jwj2 on G, and P0
detailed information can be found in Ref. [29]. If the calculated sc and Q(tc) are the two closest points of the two segments.

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Fig. 2 Closest points (shortest distance) between two
segments
Fig. 3 Region G defined for the position of the closest points
between two segments
Otherwise, the endpoints of segments, w0; 0 or w0; 1, are the
closest points between two segments.
4 Generation of Composite Microstructure Model in
ABAQUS Code
Microstructure model is the PART (means the fibers used to
construct fiber preform which is equivalent to the machine PART)
generated in the part module from ABAQUS code. According to
flowchart as shown in Fig. 1(b), PART can only be generated in
the plane which is perpendicular to the fiber direction. Given two
points, datum rectangular axis CSYS (user-defined coordinate sys-
tem) can be generated with x axis along the fiber direction. Then,
datum plane can be generated with the method of point and nor-
mal. Point can be one of the fiber two ends, and normal line is the
same as the fiber direction. Circle is sketched in the datum plane
with radius of the fiber. The fiber can be generated by extruding
the circle along the fiber direction. Fiber endpoints have been
determined by MATLAB program. So ABAQUS can read endpoints in-
formation of fibers and generate fibers with preset radius in loop
way. Finally, reinforcement preform is generated as shown in
Fig. 4 for fiber, particulate, or hybrid composite. This is only for
reinforcement inclusions. Cube with the same size as fiber pre-
form model is generated to be the matrix alloy. The problem is
that cube is totally solid which has to be cut by fiber preform
model.
Cube and fiber preform are instanced in assembly module.
Cube is cut by fiber preform in suppress way which means the
cube and preform can be kept after cutting. The cube part is gener-
ated after cutting which can be the matrix alloy for simulation as
shown in Fig. 5. In general, with the identical aspect ratio of fibers
(less than 15), this algorithm can generate up to 30% volume
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fractions composite microstructure model. For higher volume
fractions, different sizes of fibers were used with normal distribu-
tion of fiber length in realistic composites. With this approach, the
volume fraction achieved can be up to 60%.
5 Application of Microstructure Model in Predicting
Performance of MMCs
The stressstrain response of the random short carbon fibers
reinforced magnesium composite (Csf/AZ91D) were predicted by
the FE analysis of a 3D microstructure model with a volume frac-
tion of 10% consisting of nonoverlapping short carbon fibers. The
analyzed material Csf/AZ91D was prepared by squeeze infiltra-
tion processing. The composition of matrix alloy AZ91D (mass%)
was mainly 8.39.7% aluminum, 0.351.0% zinc, other minor ele-
ments, and the remainder magnesium. The reinforcement carbon
fiber was T300 with a diameter of 7 lm and length of 55150 lm.
Size determination of representative volume element (RVE) is
an important topic in the paper and is hard to be determined no
mater what type of reinforcement is, i.e., particle, short fiber, or
aligned continuous fiber. Researchers have conducted abundant
research on the determination of RVE size. Zangenberg and
Brondsted [30] determined the minimum size of a statistical repre-
sentative element for a fiber-based composite. Trias et al. [9]
defined the dimensionless variable d for aligned fibers reinforced
composites, which relates the side length L of the microstructure
model and the fiber radius R: d L/R. Values of d between 4 and
100 were chosen in literature for keeping the high simulation pre-
cision. Now, it is accepted that the RVE size depends on the prop-
erty being considered [31]. Simulations of elastic and plastic
behavior with various window sizes showed that the microstruc-
ture model necessary to obtain accurate effective plastic proper-
ties was approximately twice the size of the model needed to
obtain equally accurate effective elastic properties [32]. For ran-
dom short fiber reinforced composites, RVE size depends on the
fiber radius and fiber length, i.e., fiber aspect ratio. For high aspect
ratio, much larger RVE is required. It is the deep topic in the
future and not covered in this paper. For avoiding misunderstand-
ing, we use microstructure model instead of RVE in this paper.
By our experience in the simulation, we first set the length of the
microstructure model three times as the fiber length at the aspect
ratio 15. It size is 315  315  315 lm3. This model will cost a lot
of computer resource and sometimes the simulation cannot be
processed for the limited computer ability. One of the most
powerful tools to speed-up the simulation process is reducing the
size of the microstructure model. We figured out the efficient way
for reducing the microstructure model size in just one dimension
while keeping the other two dimension relatively large size as
illustrated in Fig. 6. Sliced thin 3D microstructure models along z
direction were generated, and the simulated results from multiple
sliced models were averaged at last as the predicted properties to
approximate the result of full volume element. This processing is
based on the principle of isodisplacement assumption in the
microstructure model. During the deformation of the sliced model,
we assume that the displacement on right YZ-face of each sliced
thin model from the cube element is the same as the full model. It
is equivalent to fix one face on the left and stretch the other face
to the right. Properties calculated from the members of the sliced
thin 3D microstructure models are termed apparent properties as
mentioned in Ref. [33]. Effective properties of composites can be
bounded by apparent property calculation. This method is equiva-
lent to statistical volume elements [34].
One of the sliced thin 3D microstructure models was meshed as
shown in Fig. 7 in size of 315  315  5. The matrix and fibers
were meshed with quadratic tetrahedral elements C3D10. Total
elements 160,000 or so were generated for each sliced model. The
left YZ-face was fixed and the sliced model stretched in the posi-
tive direction along X-axis by applying displacement boundary on
the right YZ-face. The detailed discussion on boundary condition
is introduced in the following.
Transactions of the ASME
 Fig. 4 Generated preform microstructural models for different types of composites: (a) short
fiber reinforced composite (at aspect ratio 5 15), (b) particle-reinforced composite (at aspect
ratio 5 1.4), and (c) hybrid composite with short fibers (at aspect ratio 5 15) and particles (at
aspect ratio 5 1.4)

1

r rij dV (5)
V V

1
e eij dV (6)
V V

where V is the volume of the microstructure model.

HillMandel condition requires

1
 : e
r rij : eij dV (7)
V V

This condition is equivalent to the statement that the virtual

Fig. 5 Matrix model for short fiber reinforced composite (at as-
pect ratio 5 15)
There are numerous techniques that can be used to obtain ho-
mogenized elastic and inelastic constitutive models of fiber-
reinforced composite materials which include rule of mixtures,
Mori-anka model [35]. The average stresses and strains were cal-
culated by summing the stresses and strains at the integration
points and normalized by the total volume [35]
work on the macroscale equals that of the subscale. In order to sat-
isfy the HillMandel condition, different boundary conditions at
microscale must be defined. Classical boundary conditions at
microscale [33,36] include linear displacement BC (corresponding
to so-called kinematic uniform boundary conditions), constant
traction BC (corresponding to the static uniform boundary condi-
tions), and periodic BC (corresponding to the mixed uniform
boundary conditions). The predicted results from these three dif-
ferent boundary conditions will approach close with increasing
the model size. Among them, linear displacement BC overesti-
mate the effective properties. Periodic boundary condition has
been used extensively in the case of particulate or short fiber rein-
forced composites [37]. But periodic conditions and RSA

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 Fig. 6 Generation of the sliced thin 3D microstructure models (at aspect ratio 5 15):
(a) generation procedure of single-sliced microstructure model and (b) multislicked
microstructure model for multisimulation

machine using displacement controls at the speed of 0.5 mm/min.

The strain gauge was attached on the center surface of the speci-
men to measure the deformation strain. The offset yield stress at
0.2% strain of magnesium alloy was retrieved from the stress
strain curve for alloy and the value is 87.8 MPa. The experiment
data for stress and plastic strain were imported into ABAQUS
directly, where plastic strain was obtained by subtracting elastic
strain at different applied stresses from total strain with the experi-
mentally determined modulus 42.83 GPa for magnesium AZ91D.
The Poissons ratio was set 0.35 for magnesium alloy. The modu-
lus and Poissons ratio for T300 carbon fiber were set 230 GPa
and 0.2, respectively. The simulated stressstrain curves were
compared with the experiments and the applied alloy material
model as shown in Fig. 8. It was shown that the alloy material
was strengthened by introducing the randomly distributed short
fibers. Experimental results coincide with multiple simulated
results very well, especially in the plastic region.
Fig. 7 Microstructure model used to predict the performance
of MMCs 10% volume fraction of short carbon fiber meshed Figure 9 shows the von Mises stress contour for matrix alloy
before (a) and after (b) (at aspect ratio 5 15) and fibers at the global strain 1.5%. It is shown that stress in fibers
is much higher than that in matrix. Stress transfer between matrix
and fibers happened during the deformation of matrix. What is
more, stress in matrix is more uniform than that in fibers. This can
algorithm limited the volume fraction of random fibers in the be verified by the statistic distribution of maximum principal
RVE to less than 9% because of the geometrical jamming limit stress in matrix and fiber, respectively, as shown in Fig. 10. Stress
[20]. Considering the main topic to illustrate the effectiveness of
generated micromodel during simulation, this paper applied the
linear displacement BC [38]. To predict the X-direction mechani-
cal response for the model as shown in Fig. 7, a 1.5% X-direction
homogenous tensile strain was applied on the right YZ-face by
fixing the displacement of the left YZ-face in the X-direction. The
other two degrees-of-freedom (DOF) (Y- and Z-displacements) of
nodes situated on this pair of faces (the YZ-faces) are not con-
strained, corresponding to zero tangential traction BC. Also, no
DOF would be constrained on the other two pairs of faces (XY-
and XZ-faces), implying zero normal and tangential traction BC
there. So other two pairs of faces (XY- and XZ-faces) can deform
accordingly.
In order to attain the homogenization, another two conditions
must be satisfied [39]: (i) the microstructures statistics must be
spatially homogeneous and ergodic and (ii) the materials effec-
tive constitutive response must be the same under uniform bound-
ary conditions. These two conditions have been guaranteed with
the microstructure model large enough and the same constitutive
equations for matrix alloy and fiber, respectively.
The mechanical properties of composite samples and magne- Fig. 8 Stressstrain curves for simulated results, experimental
sium alloy were tested on the 30 kN CMT5304 mechanical test results, and used material model

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 Fig. 9 Von Mises stress contour in matrix alloy (a) and fibers (b) at the global strain
1.5%
Fig. 10 Distribution of the maximum principal stress in matrix
and fibers
in matrix is mainly focused around 120 MPa with the range span-
ning from 100 MPa to 150 MPa, while stress in fiber is higher than
150 MPa a little bit with large range span from 100 MPa to
250 MPa. That means the matrix deformed plastically mostly dur-
ing the deformation of composite. Perfect bonding between matrix
and fiber makes them deform matchablely, which leads fiber to
bear very high stress through stress transferring from matrix to
fiber.
6 Conclusions
The modified random sequential absorption method was pro-
posed and implemented by combining the merits of MATLAB and
FE code ABAQUS which greatly simplified the process to avoid the
overlapping between reinforcements.
The proposed random sequential absorption method can be
used to generate microstructure models for random short fibers
reinforced composite, particulates reinforced composite, and
hybrid reinforced composite of fibers and particulates.
Microstructure model for short fiber reinforced composite was
generated and it was sliced into small pieces in one dimension to
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reduce the computational cost, and the results were averaged to
get the predicted stressstrain response of composite. The pre-
dicted results were compared with experiments to verify the rea-
sonability of the proposed processing route.
Acknowledgment
This work was supported by the Fundamental Research Funds
for the Central Universities (3102014JCS05004), the National
Natural Science Foundation of China (No. 51575447), and
National High-tech R&D Program (863 Program) (No.
2012AA8011004B).
Nomenclature
V the total volume of microstructure model
e average strain
eij component of strain tensor

r average stress
rij component of stress tensor
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