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  <front>
    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Multiscale Modeling of Strength Properties of Dispersion-Reinforced Ceramic Composite Materials</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Yuriy Dimitrienko</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Yulia Zakharova</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Sergey Sborschikov</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Computational Mathematics and Mathematical Physics Department, Bauman Moscow State Technical University 2</institution>
          <addr-line>Baumanskaya Str., 5, Moscow, 105005</addr-line>
          ,
          <country country="RU">Russia</country>
        </aff>
      </contrib-group>
      <pub-date>
        <year>2016</year>
      </pub-date>
      <fpage>277</fpage>
      <lpage>287</lpage>
      <abstract>
        <p>In this work a three-level model of ceramic composites materials based on a reaction bonded silicon carbide is developed. Numerical solution is based on the method of multiscale homogenization along with the finite element method. As a result a series of local problems on the periodical cells of 3 structure levels are solved. The calculations of stress concentration tensors in matrixes and weighing materials are presented. New criteria for matrixes and weighing materials is used to calculate the strength properties in multiaxis stressed condition. This criteria includes essential diferences (more than an order of magnitude) of ceramic properties under straining and compression. The model which includes scale efect of strength of ceramic composite materials is proposal. The computational research of sequential micro-destruction processes of ceramic composite until complete destruction is done. The results show that changing of concentration of larger fractions is less significant then content of smaller fractions in the presence of polydisperse structure in ceramics.</p>
      </abstract>
      <kwd-group>
        <kwd>ceramic composites</kwd>
        <kwd>reaction bonded SiC</kwd>
        <kwd>microdestruction</kwd>
        <kwd>numerical simulation</kwd>
        <kwd>finite-element method</kwd>
        <kwd>multiscale homogenization method</kwd>
        <kwd>strength criterion</kwd>
        <kwd>stress concentration tensor</kwd>
        <kwd>scale strength efect</kwd>
      </kwd-group>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>Introduction</title>
      <p>Composite materials based on reaction bonded silicon carbide matrix (RBSiC)
and SiC disperse filler are perspective materials for creation of shockproof
protecting systems because of their high strength, stiffness, destruction energy and
relatively low cost. However characteristics of this materials significantly depend
on manufacturing technological processes and on receipt of composite
components. In addition during the hardening details can give strong shrink, giving
significant residual stresses. This residual stresses can give deformation and even
breakdown in the final product. To select the optimal content of ceramic
composite components of SiC system and to calculate strength properties of such
materials it is demanded to develop special mathematic model, which can
forecast strength properties of composite materials including variation of content,
form and disperse filling. This model also should take into account locked-up
stresses, appearing in ceramic composite during agglomeration of particles.</p>
      <p>Existing analytical and numerical models of composite materials, armed with
particles, allow to forecast elastic properties with certain precision, however
numerical calculation of strength properties is essentially more complex problem,
because it is necessary to build the appropriate model of microcrack emission
in heterogeneous structure. Attempts to build such models using simple
concentration of finite-element mesh were not successful, because of dramatic increase
of non-physical singularity effect of calculation. Widely known commercial
software not always allow to get adequate results of microdestruction modeling of
composite.</p>
      <p>
        Nowadays the great attention is paid to the development of numerical
finite element methods of microstress modeling in composites [
        <xref ref-type="bibr" rid="ref18 ref21 ref4">4, 18, 21</xref>
        ]. One of
the most efficient method for calculation of microstress in composites is the
method of asymptotic averaging (MAA) (or homogenization method) [
        <xref ref-type="bibr" rid="ref2 ref23 ref25 ref3 ref5">2, 3, 5, 23,
25</xref>
        ], which ensures the high accuracy of calculation of microdestruction in
mathematical terms. Possible errors of calculation by this method can be related only
to errors of its numerical application as well as to inaccurate specifications of the
component characteristics and the microstructure geometry. In [
        <xref ref-type="bibr" rid="ref1 ref13 ref6 ref7 ref8">1, 6–8, 13</xref>
        ]
algorithms of finite element solution of the so-called local problems in periodicity
cells, which appear when MAA is used, were developed.
      </p>
      <p>
        This work continues the development cycle [
        <xref ref-type="bibr" rid="ref14 ref16 ref17 ref20">14, 16, 17, 20</xref>
        ] of creating models
and numerical methods for modelling microdestruction processes in composite
materials. The new 3-level strength model of ceramic composite is presented.
This model is based on RBSiC and allows to describe the effect of strengthening
of composite material during the changing particles content of SiC including the
production technology of its manufacturing.
2
      </p>
    </sec>
    <sec id="sec-2">
      <title>Microstructure of the reaction bonded silicon carbide composite</title>
      <p>
        A composite based on reaction bonded silicon carbide consists of a filler and
a silicon carbide matrix. The filler is powder of silicon carbide of the different
fractions. The silicon carbide matrix is synthesized by chemical reaction of
liquid silicon, carbon and solid carbon, which is produced during the pyrolysis of
phenol-formaldehyde resin [
        <xref ref-type="bibr" rid="ref22 ref24">22, 24</xref>
        ]. The filler is, as a rule, fission fragments which
have random character and big difference in fractions. Generally it can be
identified large fractions of the size of 20-100 microns and small fractions of 1-10
microns. Photographies of real microstructure of RBSiC are shown in Fig. 1.
      </p>
      <p>
        We consider a model of reaction bonded silicon carbide composite material
which has three structure levels [
        <xref ref-type="bibr" rid="ref15 ref19 ref26 ref5 ref6">5, 15, 6, 19, 26</xref>
        ] (Fig 2). The first level is formed
by the periodicity cells 1 (PC1) consisting of a filler of a coarse fraction and
a matrix  1. On the second level the matrix  1 is formed by the periodicity
cells 2 (PC2), each of them consists of a filler of a fine-grained fraction and
a reaction bonded silicon carbide matrix  2. The matrix  2 has defects, for
example, high concentration of dissolved, but unreacted component C and Si,
microcracks due to technological stresses and mainly pores. So, we introduce the
third structural level formed by the periodicity cells 3 (PC3). Each periodicity
cell of type 3 is formed by a zero defect silicon carbide matrix  3 and a defect.
      </p>
    </sec>
    <sec id="sec-3">
      <title>Mathematical formulation of local problems</title>
      <p>
        All structural levels may be considered as independent according to the method
of multiscale homogenization [
        <xref ref-type="bibr" rid="ref17">17</xref>
        ]. At first we compute the effective elastic and
strength properties of the third level, then we calculate the effective
characteristics of the second level, considering the composite matrix  2 as a homogeneous
material with effective characteristics of the third level, and then we calculate
the characteristics of the first level.
      </p>
      <p>
        Consider the solution of local problems for the periodicity cell of the second
level having the volume   . It includes the matrix  2 and fine-disperse filler.
We believe that the PC2 has three-axial symmetry, therefore instead of a full
volume of PC2   we can consider its 1/8th part of volume  ˜ . This volume  ˜
consist of the  components:  − 1 pieces of fine-disperse particulate of filler of
the volume  ˜ ,  = 1... − 1, and binding matrix  2 ( =  ). For calculating
microstresses in PC2 by homogenization method [
        <xref ref-type="bibr" rid="ref11 ref12 ref15">15, 11, 12</xref>
        ] we formulate a series
of the so-called local problems   of the elasticity theory on the 1/8th part of
the periodicity cell
⎪⎧⎪⎨   (( ))/= = 0, ( ˜ ,  )(  ( ) −   ( −  *)),  ˜ ∪  ′ ∪  
⎪   ( ) = 12 (︀   ( )/ +   ( )/ ︀) ,  ˜ ,
⎪⎩ [  ( )] = 0, [  ( )]  = 0,  ˜ ,
where  and  are the indexes of the local problems changing from 1 to 3 (there
are a total of nine different problems   );   ( ) (  ) are the components of the
displacement vectors (the unknown functions) in the problem   ;   ( ),   ( )
are the components of the stress and deformation tensors in  ˜ ;   are the local
Cartesian coordinates in the 1/8th PC; / = /  are the derivatives of the local
coordinates; [︀   ( )︀] are the jumps of functions at the interface  ˜ of the cell
components;   (  ,  ) are the components of the tensors of the elasticity
moduli of the composite structural components of PC2 (they are described by the
dependencies of the coordinates   );  is the parameter of the component
damageability;   ( ) are the components of the tensor of thermal expansion, which
depend on the temperature;  is the current temperature;  *(  ) is the sintering
temperature of the ceramic particles, depending on the local coordinates.
      </p>
      <p>System (1) is supplemented by the special boundary conditions at the surfaces
 ′ = {  = 0.5} of the 1/8th part of PC
 
 
 
′ :   ( ) = 1/2¯   ,   ( ) = 0,   ( ) = 0,  ̸=  ̸=  ̸= ,
′ :   ( ) = (1/4)¯   ,   ( ) = 0,   ( ) = 0, ,  = {,  }, (2)
′ :   ( ) = 0,   ( ) = 0,   ( ) = 0,  ̸=  ̸=  ̸= ,
where ¯ are the components of the averaged deformation tensor for PC,   ( ) ≡
  ( )  are the vectors of forces.</p>
      <p>The boundary conditions at the symmetry planes   = {  = 0} are similar
to relations (2), where we assume ¯ = 0.
4</p>
    </sec>
    <sec id="sec-4">
      <title>Efective elastic characteristics of the periodicity cells of the second level structure</title>
      <p>Using the numerical solution of problems   (1), (2) we find the fields of
displacements   ( ) and stresses ¯ ( )(  ) in the PC2 at given values of average
deformations ¯ .
(1)
These fields are used to find the average values of stress:
¯ =&lt;   &gt;=</p>
      <p>¯ ( ),
¯ ( ) = ⟨︀   ( )︀⟩ =</p>
      <p>( )(  )  .
︁∑
,
3
︁∫
 ˜
 ¯
=
¯ ( )
¯
,
where
Then the components of the tensor of effective elasticity moduli of the composite
are calculated by the formulas
(3)
(4)
,
=
(5)
(6)
(7)
 ¯</p>
      <p>.
effective Poisson constants</p>
      <p>= − ¯
crostresses  
( )
(  ) = ∑︀
,
3
tensor of elastic compliances  ¯</p>
      <p>, that is inverse to  ¯
constants of the composite, such as effective Young moduli  
where there is no summation over  and  . After that we calculate the effective
, and technical elastic
  , and effective shear moduli  
The components of the tensor of stress concentrations  
= 1/ ¯
( ) connect
mi  ( )(  ) in the matrix and the filler (the fine disperse
particles SiC) with average stresses ¯ in the PC2 by the formulas


( )
(  ) =  
( )</p>
      <p>(  )¯ ,   ∈  ˜ ,  = 1....</p>
      <p>The components</p>
      <p>( ) in the matrix and the filler are calculated by the formulas
 
( )
(  ) =   ( )(  ) ¯
,   ∈  ˜ ,  = 1....
5</p>
    </sec>
    <sec id="sec-5">
      <title>Model of the strength properties of the components</title>
      <p>
        The strength criterion of ceramic materials should take into account the
significant differences in their properties in tension and compression. Therefore, we
introduce a failure criterion of isotropic matrix  2 and filler particles [
        <xref ref-type="bibr" rid="ref19">19</xref>
        ] based
on Pisarenko-Lebedev criterion:
 =
      </p>
      <p>( )2
3 ( )2(1 +  ( ) ( −( )))
,
︂(  ( )2
3 ( )2 − 1</p>
      <p>
        ︂)
where  ( ) = 12 (⃒⃒ ( )⃒⃒ −  ( )),  ( ) =  1(1) +  2(2) +  3(3) are the invariants of
−
the stress tensor in the matrix and fillers,  
( ) are stress intensity [
        <xref ref-type="bibr" rid="ref10">10</xref>
        ],  ( ) =
 (1 ) is the constant,  

( )
      </p>
      <p>( )
,  
,  
( ) are the ultimate compression
is introduced
strength, ultimate tensile strength and ultimate shear strength. For ultimate
strengths the following relationships should be taken into account:  
 
&gt; 0,   &gt; 0. In (7) a continuous positive function of the 1st invariant  ( −( ))
&gt; √
3  ,
 ( −( )) =
⎧
⎨</p>
      <p>−
⎩  ( ),

0,
 ( ) ,</p>
      <p>( ) &gt; 0,

− 
( ) &lt;  ( ) &lt; 0,
 ( ) &lt; − 
( ).</p>
      <p>The failure criterion  , which is calculated by the formula (7), has the value 0 if
the stress is absent in the composite. It is ranged within 0 &lt;  ( 
loaded condition if there is not damage. And it takes the values  ( 
if the fracture initiation occurs at some point   . If the failure criterion reaches
the value  = 1, then we obtain strength surface of a component
( )
( )
) ≤ 1 in the
(  )) ≥ 1,
 ( )2 = 3 
( )2(1 +  ( ) ( ( ))).</p>
      <p>−
where   =  * are coordinates of the point in the PC2,  * is the time point at
which the condition (11) is executed first, ¯
( *) are limit stresses.</p>
      <p>In the tensile area  ( ) &gt; 0 the strength surface is the von Mises ellipsoid
 ( )2 = 3 
( )2. In the compression area − 

( ) &lt;  ( ) &lt; 0 the tensile strength
is increased. And in the ”supercompression” area  ( ) &lt; − 

surface again is the von Mises ellipsoid, but with the modified tensile strength:
( ) the strength
 ( )2 =  
( )2
.</p>
      <p>( )
If the condition  (</p>
      <p>(  )) ≥ 1 is satisfied at the point   or in a certain
area PC2, there is no complete destruction. This is partial destruction of PC2,
hereinafter called microdestruction. Introduce the dependence of the components
of the elastic modulus of the failure criterion for accounting microdestruction of
components in the model:
 
(  ,  ) = (1 − ℎ ( ( 
( )
(  ) − 1)) 
( ) ,   ∈  ˜ ,  = 1...,
(10)
where  
point.</p>
      <p>( ) are the components of the tensor of elasticity moduli of the
composite components (they are constants). According to the formula (10) if
microdestruction occurs at the point   , elasticity modulus is equal to zero at this</p>
      <p>To calculate the strength of the composite as a whole, we need to calculate the
limit values of average stresses ¯ . At this stresses an initial microdestruction
occurs at least in one of its components (fillers or matrix) in a point  * ∈  ˜ at a
time  *, and then complete destruction occurs. For the calculation of limit values
of stresses in experimental research usually implement a process of linear load, in
which the average stresses are proportional the time: ¯ ( ) = ˜  , where ˜
are
the components of the stress gradient tensor. Substituting (5) in the strength
criterion of the matrix or fillers (7) we obtain the initial failure condition of
composite
 m∈a ˜x { ( 
( ) (  )¯ ( *))} = 1,
(8)
(9)
(11)</p>
      <p>After appearance of the initial failure elastic moduli are changed in the
destroyed areas of the matrix and/or fillers in accordance with the model described
above. With further increase in average stress values ¯ ( ) failure condition (11)
is satisfied in a large number of points of PC2, that is, there is the process of
propagation of microdestruction. Some area   *( ) of the partial destruction of
the composite is formed in the periodicity cell 2.</p>
      <p>For modeling of effective elastic and strength properties of PC3 and PC1
is used a similar method. The stresses occur due to the thermal strain  0 =
  ( −  *) of the ceramic composite during cooling after the laser sintering.
6</p>
    </sec>
    <sec id="sec-6">
      <title>Details of numerical simulation</title>
      <p>
        The local tasks (1), (2) are solved by a finite element method which is described in
[
        <xref ref-type="bibr" rid="ref16 ref17 ref20">16, 17, 20</xref>
        ]. We use 4-node tetrahedral finite elements, generated by open-source
grid generators. The meshes contain different numbers of nodes (from 104 to
106 ). Meshes with a large number of finite elements are used in the
calculation of effective elastic moduli, when micro destruction is not happened. After
microdestruction is beginning, the local tasks become nonlinear, because the
elastic modulus of the matrix or fillers is changed, so we use iterative method to
solve it. The number of iterations to achieve complete destruction is about 103,
so for these tasks we use meshes with a smaller number of elements to reduce
the time of the numerical experiments. A numerical solution of large systems of
linear algebraic equations, preprocessing and postprocessing, including 3D
visualization and animation, was implemented in the software package, developed
by the scientific and educational center ”Supercomputer Engineering Simulation
and Development of Software Packages” of the Bauman Moscow State Technical
University.
7
7.1
      </p>
    </sec>
    <sec id="sec-7">
      <title>Results</title>
      <p>Numerical simulation of microdestruction of ceramics for
periodicity cell of the third level
Consider the numerical simulation of microdestruction of ceramics for periodicity
cell of the third level with the following properties of SiC matrix  3: elastic
modulus   = 320 GPa, Poisson’s ratio   = 0.35, ultimate strength   0 =
0, 07 GPa;  0 = 4 GPa;  0 = 0, 06 GPa. We suppose that the pores have
a spherical shape. Fig. 3 shows some of the results of microstresses calculations
in the PC3. Fig. 3a) shows the distribution of component  1(11)1 of the stress
concentration tensor in the PC3, where concentration of pore before the start
failure is equal to 20%. Fig. 3b) shows the distribution of parameter of damage 
in the PC3 under tension in the direction of  1.</p>
      <p>Fig. 4 shows the process of microdestruction in the PC3 (matrix with defect)
under compression. The failure of the periodicity cell starts on the surface of the
pore (defect) and at first is spread in a direction perpendicular to load direction,
and then the failure zone is turned round and spread in the direction of load
action to complete destruction of PC3.</p>
      <p>a)
b)
c)</p>
      <p>Numerical simulation of microdestruction of ceramics for
periodicity cell of the second level
Fig. 5 shows the results of numerical solution of the process of microdestruction
in the periodicity cell of the second level under compression. These results are
calculated taking into account initial technological stresses, which occurs from
the application of laser sintering.</p>
      <p>a)
A mathematical model of microdestruction of reaction bonded silicon carbide
has been developed. This model is based on the homogenization method and the
finite element method for solution of local problems on periodicity cells. The new
strength criterion of ceramic materials has been applied. The comparison with
experimental data has shown that this criterion is applicable to solve the problem
of microdestruction of the reaction-bonded silicon carbide. It is demonstrated
that the developed model allows to simulate the processes of microdestruction
of the ceramic composite and can be used as a tool for research and design of
new materials with specified properties.</p>
    </sec>
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