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Article history: The current paper presents a two scale Finite Element approach (FE2 ), adopting the periodic homogeniza-
Received 29 September 2018 tion method, for fully coupled thermo-mechanical processes. The aim of this work is to predict the overall
Revised 20 December 2018
response of rate-dependent, non-linear, thermo-mechanically coupled problems of 3D periodic compos-
Available online 17 January 2019
ite structures. The material constituents implicated in the analyses obey generalized standard materials
Keywords: laws, while the characteristic equations of the problem (balance law, first law of thermodynamics) are
Multi-scale finite element computation expressed and satisfied in both microscopic and macroscopic scales. For the numerical implementation
Thermo-mechanical processes in both scales, the finite element commercial software ABAQUS is utilized in the framework of small
Periodic homogenization strains and rotations. A set of dedicated scripts and a specially designed Meta-UMAT subroutine allow the
Thermoelastic-viscoplastic material connection between the macroscopic structure and the microscopic unit cells attached to every macro-
FE2 method
scopic integration point. The two-scale finite element framework is applied to simulate thermoelastic-
viscoplastic materials of complex 3D composite structures, and its capabilities are demonstrated with
proper numerical examples. It is worth mentioning that the proposed computational strategy can be ap-
plied for any kind of 3D periodic microstructure and non-linear constitutive law.
© 2019 Elsevier Ltd. All rights reserved.
https://doi.org/10.1016/j.ijsolstr.2019.01.018
0020-7683/© 2019 Elsevier Ltd. All rights reserved.
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 121
ture, accounting for all the mechanisms observed in the het- coupled thermo-mechanical problem is presented. The capabilities
erogeneous microstructure (Feyel and Chaboche, 20 0 0; Nezam- of the strategy are demonstrated through simulating the thermo-
abadi et al., 2010; Asada and Ohno, 2007; Tikarrouchine et al., mechanical response of a 3D complex structure under different
2018; Xu et al., 2018). However, very few works have been ded- thermo-mechanical loading paths. The numerical analysis demon-
icated to thermo-mechanical coupling in the framework of FE2 strates that this approach is capable of rendering accurately the
strategy. Indeed, most publications in the literature on periodic coupled response of nonlinear, time dependent, multiscale com-
homogenization focus on purely mechanical or uncoupled thermo- posite structures utilizing commercial finite element analysis pack-
mechanical problems. Özdemir et al. (2008b) proposed a multi- ages.
scale uncoupled thermo-mechanical scheme as an extension of the
purely thermal FE2 solution, presented in Özdemir et al. (2008a). 1.1. Notation
Chatzigeorgiou et al. (2016), have proposed a fully coupled homog-
enization framework, particularly suited for nonlinear dissipative The following notation is adopted in this manuscript: the bar
composites. It has been applied to study laminate periodic com- (• ) above a symbol denotes macroscopic fields. Bold characters
posite structures using a closed form solution of the homogeniza- denote vectors or second order tensors, blackboard characters are
tion equations. Applications of fully coupled thermo-mechanical used for fourth order tensors and regular characters represent
FE2 schemes, based on the homogenization theory, have been pre- scalar quantities. The single, twice contracted and dyadic products
sented for shape memory alloy (Sengupta et al., 2012) and 2D are expressed as:
thermo-viscoplastic composites (Berthelsen et al., 2017).
The novelty and originality of the present work is the de-
a · b = ai bi , (A · b)i = Ai j b j , (A · B )i j = Aik Bk j ,
velopment of a fully coupled 3D thermo-mechanical homog- A : B = Ai j Bi j , (A : B )i j = Ai jkl Bkl , (A B )i jkl = Ai j Bkl . (1)
enization framework, considering small deformations, through
In addition, the special tensorial products are defined
the FE2 scheme, using the commercial Finite Element software
ABAQUS/Standard. The proposed approach addresses the non- (A ˜: B )i jkl = Ai jmn Bklmn , (A ˜· B )i j = Aik B jk . (2)
linear material response of composite structures in a general
All the second order tensors considered in the manuscript are
manner, independently of the type of constitutive laws, allow-
found to be symmetric (Ai j = A ji ) and all the fourth order ten-
ing different types of inelastic material behaviors of the com-
sors posses at least the minor symmetry (Ai jkl = A jikl = Ai jlk ). Con-
posite’s constituents. Illustrative numerical applications consider
sequently, all second and fourth order tensors can be respectively
thermoelastic-viscoplastic material constituents. The described
reduced to 6 × 1 and 6 × 6 matrices according to the Voigt nota-
strategy, based on the concept of periodic homogenization, iden-
tion. The operators hyd(σ ) and dev(σ ) denote respectively the hy-
tifies the macroscopic behavior at each macroscopic integration
drostatic pressure and the deviatoric part of the stress tensor σ ,
point by attaching a periodic unit cell to it and solving the micro-
and eq(σ ) is the equivalent Von Mises stress:
scopic balance laws. The unit cell includes the material and geo-
metrical characteristics of the different constituents (fiber, matrix) 1
hyd (σ ) = tr (σ ), dev(σ ) = σ − hyd (σ )I ,
in the microstructure. Accordingly, a multilevel finite element anal- 3
ysis has been introduced, using an implicit resolution scheme that
3
integrates the return mapping algorithm to solve the local consti- eq(σ ) = (dev(σ ) : dev(σ ) ). (3)
2
tutive equations.
The layout of the paper is as follows: in Section 2, the theo- Finally, I and I correspond to the second and fourth order identity
retical formulation of the homogenization theory, accounting for tensors respectively.
fully-coupled thermo-mechanical processes is described, as well
as the scale transition between the microscopic and the macro- 2. Theoretical background and scale transition principles in
scopic fields. In Section 3, the numerical implementation of the composites under thermo-mechanical processes
iterative process is detailed for a general 3D non-linear problem,
including the computation of all the thermo-mechanical tangent The homogenization of periodic media describes the compos-
operators. The section also discusses briefly the rate dependent ite as a two scale problem (micro and macro). At the macro-
constitutive law considered for the matrix phase of the numerical scopic level, the deformable body occupies the volume V and
examples. In Section 4, the multi scale FE2 algorithm for the fully is bounded by the surface ∂ V with the outward unit vector n.
122 E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140
initialization
- Apply the PBCs on the unit cell.
- Compute the macro thermal
conductivity κ.
- Compute the initial macro tangent
ε θ ε θ
operators D , D , R , R .
ε θ ε θ
R ,R D ,D ,κ
Macro-level
- Solve the macro Micro-level
problem. - Compute the local fields
- Get the macro strain Δεn+1 σ, r, Vk .
time increment Δεn+1 . Δθn+1 - Compute the local
- Get the macro tangent operators
temperature time Dε , D θ , R ε , R θ .
increment Δθn+1 .
no
- Compute the macro
fields σ, r, q.
Next time Global
σ, r, q - Compute the macro
increment check
ε θ
n=n+1 convergence D , D , tangent operators
ε θ ε θ
R , R D , D , R , R using
ε θ
yes Aε , A θ .
Fig. 2. The flow chart of the two scales FE2 algorithm for the non-linear fully coupled thermo-mechanical response of composite in ABAQUS/Standard.
Each macroscopic point is assigned with a position vector x in V The homogenization theory seeks to identify the macroscopic
and is connected with a unit cell. At the microscopic level, the response at each macroscopic point x, by computing the macro-
material is considered as heterogeneous and the unit cell con- scopic thermo-mechanical fields, using information from their mi-
tains information about the different constituents and their ge- croscopic counterparts. This goal is achieved by introducing proper
ometry. The defined periodic unit cell occupies the volume V and scale transition rules between the micro and the macro scale vari-
is bounded by the surface ∂ V with the outward unit vector n. ables. According to the average theorems, when uniform stress,
Each microscopic point is assigned with a position vector x in strain, temperature gradient or heat flux is applied at the unit cell
V. The two vectors x and x are connected through the relation boundaries, the average (in the unit cell volume) microscopic cor-
x = x/ , where is the characteristic length of the microstruc- responding field is equal to the applied field (Chatzigeorgiou et al.,
ture. According to the periodic homogenization theory, the sepa- 2018). Such average fields represent the macroscopic stress, strain,
ration of the overall problem in two scales provides accurate re- temperature gradient and heat flux respectively (Hill, 1967). The
sults as long as the characteristic length is close to zero, i.e. the relationships between the fields at the two scales are given by the
characteristic volume of the unit cell is following equations:
much smaller than the
characteristic volume of the structure V << V (Fig. 1). From a
1 1
practical standpoint, the minimum acceptable difference (for the σ = σ = σ dV = σ · n x dS, (4)
V V V ∂V
validity of the proposed approach) between the size of RVE
and the size of the macrosctructure depends on two factors:
1 1
(i) the variation in the boundary conditions, which is related ε = ε = ε dV = (u n + n u ) dS, (5)
to the characteristic length of the phenomena, and (ii) the con-
V V 2V ∂ V
trast in the material properties of the RVE’s constituents, corre-
1 1
sponding to the characteristic length of the microstructure. For ∇ θ = ∇ θ = ∇ θ dV = θ n dS, (6)
more details see Bensoussan et al. (1978), Sanchez-Palencia (1978), V V V ∂V
Allaire (1992) and Murat and Tartar (1997).
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 123
Fig. 4. Opposite side of a unit cell are connected with constraint drivers.
Fig. 5. Coarse FE discretization of (a) the macroscopic model and (b) the microstructure observed at each macroscopic integration point of the FE2 simulation.
2.2. Microscopic problem thermoelastic materials), the thermodynamic implications are not
fully clear. The second order homogenization in composites with
As already mentioned previously, a periodic unit cell is assigned purely mechanical response introduces macroscopic strain gra-
at every macroscopic point, accounting for the geometrical and dients that enter directly into the overall constitutive behavior
material characteristics of the microstructure. As defined by the (Kouznetsova et al., 2002). This behavior is compatible with exis-
zeroth order asymptotic expansion theory, at such unit cells the tent thermodynamic frameworks (Forest, 2009). On the other hand,
microscopic equilibrium equation is solved considering constant the second order theory for thermo-mechanically coupled pro-
macroscopic temperature at every point of the unit cell. The en- cesses introduces additional dependence of the stress on the tem-
ergy rate term r and the thermomechanical tangent moduli are perature gradient (Dong et al., 2017). From a physical point of view
also identified for the same macroscopic temperature. Consider- such relation is problematic and is not allowed in existent thermo-
ing the pure thermal problem, the microscopic energy balance is dynamic theories accounting for internal variables (Coleman and
reduced to steady state heat conduction equation. In that sense, Gurtin, 1967; Germain et al., 1983).
the coupled thermomechanical and the pure thermal problems In this work the zeroth order homogenization theory, as de-
can be treated separately (Chatzigeorgiou et al., 2016). Mathemat- scribed in Chatzigeorgiou et al. (2016), is utilized. The assumption
ically speaking, the underlying hypothesis behind this condition is θ = θ , adopted in that work, predicts thermal strains which are in
that the temperature converges strongly to a specific value, en- full agreement with established techniques in the micromechan-
forcing a uniform value (equal to the macroscopic temperature) at ics community (for instance, the well known and widely utilized
the unit cell corresponding to a macroscopic point. On the other Levin’s formula for computing the thermal expansion coefficients
hand, the gradient of the temperature converges weakly, which tensor of a composite), as well as with other periodic homogeniza-
implies that the microscopic temperature gradient varies inside tion studies in the cases of thermoelasticity (Ene, 1983; Temizer,
the periodic unit cell and its average value can be defined as 2012) and thermoviscoelasticity (Yu and Fish, 2002).
the macroscopic temperature gradient at the macroscopic point It is worth mentioning that the proposed micro-macro tem-
((Chatzigeorgiou et al., 2018), see example in subsection 5.5.2). perature relation allows to establish a macroscopic representa-
A way to relax this uncoupling for the microscopic problem tion of the second law of thermodynamics, as illustrated in
is to employ higher order homogenization theories. In that way, Chatzigeorgiou et al. (2016). A more relaxed micro-macro temper-
one can also account for the size effects. While mathematically ature relation, as the one proposed by Sengupta et al. (2012), does
such approach is valid (see for instance Dong et al., 2017 for not provide a clear definition for the macro-entropy and a macro-
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 125
(a) Dimensions and Coarse FE discretization (b) Coarse FE discretization of the inclusions.
of fully structure.t
Fig. 6. Coarse FE discretization of the 3D fully structure.
Fig. 7. Comparison of the overall response of the FE2 and single scale FE solutions in terms of σ 11 Vs ε 11 .
scopic representation of the dissipation due to heat conduction. and should be taken into account through higher order homoge-
It should be also noted that the homogenization framework ob- nization theories.
tained by the zeroth order asymptotic expansion method does not
account for size effects, i.e. the size of the RVE does not influence 2.2.1. Microscopic coupled thermo-mechanical problem
the macroscopic response. Size effects may appear either due to At each macroscopic point, the corresponding unit cell serves
not sufficiently small microstructure or due to instability related at identifying the microscopic variables whose average values pro-
phenomena, like strain localization, interphase debonding etc. Un- vide the macroscopic fields. In the mechanical part of the problem,
der these conditions strain gradient effects may be quite important the microscopic stress is evaluated through the microscopic equi-
126 E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140
Fig. 8. Relative stress error of the macroscopic stress response of the FE2 and single scale FE solutions.
Fig. 9. Comparison of the macroscopic temperature of the two approaches in point A situated in the same position in the two structures.
u,
are used as input data. Once the microscopic mechanical problem
u(x, x, t ) = ε(x, t ) · x +
u(x, x, t ). (16)
is solved, the macroscopic stress is evaluated by averaging the mi-
croscopic stresses over the unit cell. As additional information one The periodic fluctuating part
u takes the same value on each pair
obtains also the macroscopic energy rate term r, which is equal to of opposite parallel sides of the unit cell. The strain average pro-
the average value of its microscopic counterparts. The energy rate duced by
u is null. However, the total microscopic strain average is
term r depends exclusively on variables linked with the stress, the equal to the macroscopic strain:
strain and the absolute temperature, thus it can be computed once
the microscopic equilibrium is solved. Information about the mi- ε(u ) = ε + ε(
u ), (17)
croscopic temperature gradients are obtained from the microscopic
pure thermal problem and they are not required at this stage. 1
ε(
u ) = ε(
u ) dV = 0, (18)
The microscopic equilibrium system is solved under uniform V V
macroscopic temperature θ and periodic displacement boundary
conditions. The periodicity condition implies that the displacement ε(u ) = ε + ε(
u ) = ε. (19)
field u of any microscopic material point located in the position
vector x is described by an affine part, plus a periodic fluctuation In addition, the traction vector σ . n is anti periodic. The micro-
scopic equilibrium is free of body forces and the complete mechan-
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 127
The last expression must be satisfied for any arbitrary value of the
macroscopic variable ∇ θ . This implies that the corrector vector has
to satisfy the linear equation
T
div κ + κ ˜· ∇ψθ = 0. (27)
With the help of Eqs. (23) and (25), the heat flux (21)2 is written
as
q = −κ · Aκ · ∇ θ , (28)
where
T
Aκ = I + ∇ψθ . (29)
Fig. 10. Dimensions and a coarse discretisation of the macroscopic 3D non- Averaging the last expression over the unit cell and assuming that
symmetric notched plate. the macroscopic heat flux is expressed by a similar constitutive law
with its microscopic counterpart,
(a) Composite microstructure. The gray (b) Dimensions and the spacial arrangement
domain represents glass fibers and the of the short glass fibers.
green domain represents the polymer matrix.
Fig. 11. Discretisation of the short fiber reinforced composite unit cell with tetrahedral elements type C3D4 as well as the spacial dimensions.
a b
Fig. 12. Fields generated for the calculation of the macroscopic thermal conductivity κ in three directions: (a) κ 11 , (b) κ 22 and (c) κ 33 .
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 129
a b
Fig. 14. Macroscopic stress field distribution in directions 11 (in MPa) using FE2 solution for analysis time of (a) t = 200 s and (b) t = 300 s.
• The symbol δ before a variable denotes the iteration increment gent moduli (defined later in this section). These quantities are
of the variable at a specific time increment. The current values computed through finite element calculations considering peri-
of the variable φ and its time increment
φ are updated from odicity displacement conditions at the unit cell.
iteration k to iteration k + 1 per • The macroscopic analysis feeds back the microscopic problems
with the updated time increments of the macroscopic strain
ε
φ (n+1)(k+1) = φ (n+1)(k) + δφ , and the temperature
θ , as well as the history of all macro-
φ (n+1)(k+1) =
φ (n+1)(k) + δφ . scopic fields.
An additional complexity of the homogenization procedure The numerical solution steps and the iterative procedures are
compared to standard homogeneous materials is that the solu- described in the next subsections for both scales.
tion of the unit cell problem strongly depends on the numerical
solution of the macroscopic analysis and vise versa in a coupled
way. In other words, the problems in the two scales (macroscopic 3.1. Macroscopic problem
and microscopic) should be solved simultaneously, through itera-
tive schemes. Indeed: The balance laws, kinematics and boundary conditions at the
macroscopic scale, expressed by (8)-(11), (12) and/or (15), should
• The unit cell problem at every macroscopic point is utilized be accompanied with a macroscopic constitutive laws to be able to
for the evaluation of the macroscopic stress σ , the macroscopic find the solution. For the case of nonlinear materials and especially
energy rate term r and the macroscopic thermomechanical tan- in nonlinear homogenization procedures, analytical expressions for
130 E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140
Fig. 15. Microscopic stress field distribution in directions 11 (in MPa) at critical point A of the structure using FE2 solution for analysis time of (a) t = 200 s and (b) t = 300 s.
Fig. 16. Evolution of the macroscopic stress as a function of the strain at the critical point A of the structure Fig. 14 in the directions 11, 22, 33 and shear 12.
the constitutive response are very seldom and usually only incre- relation, connecting the iteration increments of the macroscopic
mental formalisms can be provided. At a specific time increment, heat flux and the macroscopic temperature gradient is
the macroscopic stress (σ ) and energy rate term (r) iteration incre-
ments are linked with the iteration increments of the macroscopic δ q = −κ · ∇ δθ , where ∇ δθ = grad δθ . (34)
strain (ε) and temperature (θ ) through the relations
It is recalled that the macroscopic thermal conductivity tensor is
ε θ ε θ
δσ = D : δε + D δθ , δ r = R : δε + R δθ , (32) considered constant and is computed once from Eq. (31). With the
help of these increments, the stress, the energy term and the heat
where flux are iteratively updated through the linearized expressions
δε = gradsym δ u. (33)
σ (n+1)(k+1) = σ (n+1)(k) + δσ , r (n+1)(k+1) = r (n+1)(k) + δ r,
ε θ ε θ (n+1 )(k+1 ) (n+1 )(k ) (n+1 )(k )
In the above expressions D , D , R and R are the thermo- q =q + δ q = −κ · (∇ θ + ∇ δθ ). (35)
mechanical macroscopic tangent operators. These operators are
computed at every macroscopic point and at every macroscopic it- The values of σ and r at every macroscopic point and iteration in-
eration increment from the resolution of a unit cell problem. This crement are provided by the solution of the microscopic unit cell
problem is described in the next subsection. The final constitutive problem, which is explained in details in the next subsection.
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 131
Fig. 17. Macroscopic spatio-temporal temperature distribution (in K) in the composite structure for analysis time of (a) t = 100 s, (b) t = 200 s and (c) t = 300 s. The
heterogeneous temperature field tends to be uniform by the end of the analysis.
Fig. 18. Evolution of the macroscopic temperature at the characteristic points (A, B, C, D, E and F) for the total analysis time. An overall temperature elevation of 16 °C is
obtained during the thermomechanical loading of 300 s.
With the updated values, the equilibrium (8) and energy bal- ture at a macroscopic point, its attached unit cell is solved sepa-
ance (9) equations are written as rately in two parts: The first part is devoted to the computation of
(n+1 )(k+1 ) the macroscopic stress σ and the energy rate term r and the sec-
divσ + ρ b = 0,
ond part is dedicated to the calculation of the macroscopic tangent
(n+1 )(k+1 ) (n+1 )(k+1 )
r − divq + ρ R = 0. (36) operators.
The latter linearized system of equations accepts only the itera-
tion increments of the displacements δ u and the temperatures δθ
3.2.1. First part of unit cell problem: macroscopic stress
as unknowns. Its resolution provides eventually the time incre-
In the first part, the microscopic mechanical system of
ments of the macroscopic strains
ε and the temperature
θ at
Eq. (20) is solved for the time step tn+1 under uniform temper-
the complete macrostructure. These time increments and the pre- (n+1 ) n
vious state of all macroscopic fields are the basic input to the unit ature θ = θ +
θ , by using as additional input the macro-
n+1
scopic strain ε = ε +
ε and the values of all fields (macro-
n
cells attached to every macroscopic point.
Eq. (36) are solved iteratively until δ u and δθ at every macro- scopic and microscopic) at the previous time step tn . It is noted
scopic point converge with a predefined tolerance. that the exponents n + 1 and n denote quantities defined at time
steps tn+1 and tn respectively. In a return mapping algorithmic
3.2. Unit cell problem scheme, the strain and temperature do not evolve with iterations,
since these are provided as input from the finite element solution
Having obtained the history of the macroscopic fields, as well of the balance equations (here they are computed from the macro-
as the time increments of the macroscopic strains and tempera- scopic analysis). In that sense, δε = 0 and δθ = 0.
132 E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140
The microscopic stress tensor at the time step n + 1 can be ex- The microscopic thermo-mechanical tangent operators Dε , Dθ , Rε
pressed in linearized form as follows: and Rθ are instantaneous tangent tensors that are calculated at the
n+1 end of the iterative procedure of the first part of the unit cell prob-
σ (n+1)(k+1) = σ x, θ , x, ε(n+1)(k) + Dε : gradsym δ u, (37) lem. Thus, in the second part they are considered constant and the
microscopic equilibrium
where ε is the microscopic strain computed in the previous micro-
scopic iteration step and Dε denotes the fourth order mechanical div(δσ ) = 0, (41)
tangent operator tensor. The microscopic stress σ and the micro-
scopic thermomechanical tangent moduli are obtained through the or (after combining Eqs. (41) and (39))
constitutive law of the material under consideration. In finite el- div Dε : δε + Dθ δθ + Dε : gradsym δ u˜ = 0, (42)
ement programs like ABAQUS the constitutive law is numerically
defined with the help of a user material (UMAT) subroutine. Algo- is a linear problem with periodic boundary conditions in terms of
rithmic structures of such subroutines for various types of consti- δ u˜. Its solution can be written in the form (Ene, 1983)
tutive laws are presented in Chatzigeorgiou et al. (2018). δ u˜ = δε : χε + δθ χθ . (43)
Combining all the above expressions, the mechanical system
(20) is written in the linearized form as In the latter expression, the third order tensor χε and the vec-
tor χθ are periodic and are called corrector terms. Substituting
divσ (n+1)(k+1) = 0 ∀x ∈ V ,
n+1 (38) Eq. (43) in (42) yields
ui − u j = ε · xi − x j ∀x ∈ ∂ V .
The latter is a linearized system with unknown displacement in-
δε : div [Dε + Dε ˜: gradχε ]T + δθ div Dθ + Dε : gradχθ = 0.
crement δ u and it has a unique solution as long as Dε is positive (44)
definite. Eq. (38) is solved iteratively, until δ u at every microscopic
The above homogeneous equation has a solution for arbitrary val-
point converges to a predefined tolerance. Once the convergence
ues of the macroscopic variables δε and δθ only if the corrector
is achieved, the computation of the microscopic displacements u,
terms satisfy the linear equations
strains ε and stresses σ follows. Additionally, one can also com-
pute the microscopic energy rate term r at every unit cell point, div [Dε + Dε ˜: gradχε ]T = 0, div Dθ + Dε : gradχθ = 0.
without passing to the energy balance equation. Consequently, the
macroscopic stress σ and the macroscopic energy rate term r are (45)
computed by averaging their microscopic counterparts. From this linear uncoupled system one obtains gradsym χε and
It is noted that the computation of the microscopic heat flux q gradχθ . Using Eq. (43), the increments of the microscopic fields
is not required for the macroscopic analysis, since the macroscopic are written in the following form
thermal conductivity κ is constant for specific unit cell geometric
and material characteristics. δε = Aε : δε + Aθ δθ ,
δσ = Dε : Aε : δε + [Dθ + Dε : Aθ ]δθ ,
3.2.2. Second part of unit cell problem: tangent operators
The second part is dedicated to the calculation of the macro- δ r = Rε : Aε : δε + [Rθ + Rε : Aθ ]δθ , (46)
scopic tangent operators. For this part of the analysis, the macro- where
scopic strain and temperature iteration increments are assumed
non-zero. In that case, the iteration increments of the microscopic Aε = I + I ˜: gradχε , Aθ = gradsym χθ . (47)
stress and of the energy rate term r are expressed as Averaging (46)1,2 over the unit cell volume yields that the macro-
δσ = Dε : δε + Dθ δθ , δ r = Rε : δε + Rθ δθ , (39) scopic thermo-mechanical tangent operators are given by the ex-
pressions
where
ε θ
δε = δε + gradsym δ u˜. (40) D = Dε : Aε , D = Dθ + Dε : Aθ ,
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 133
ε θ
R = R ε : Aε , R = Rθ + Rε : Aθ . (48) lastic for the fibers and thermoelastic-viscoplastic with isotropic
hardening for the matrix phase. While the numerical implemen-
The above described incremental iterative procedure for the tation details are not shown here, still for the reader’s convenience
two parts of the microscopic unit cell problem requires a well de- the essential points of the matrix material behavior are briefly dis-
signed constitutive law for each material phase of the microstruc- cussed in the following subsection.
ture. In general, this constitutive law, implemented in the form of
a return mapping algorithm scheme, should provide i) the stress σ 3.3. Thermoelastic-viscoplastic behavior with isotropic hardening
and the internal state variables for given strain ε and temperature
θ and ii) the thermo-mechanical tangent operators Dε , Dθ , Rε and The thermoelastic-viscoplastic constitutive law chosen for the
Rθ . matrix phase of the studied examples is formulated in the context
Without loss of generality, the studied examples in this of small deformations and small rotations theory. In this frame-
manuscript consider two types of constitutive response: thermoe- work the total strain ε is additively decomposed into an elastic
134 E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140
Fig. 22. Macroscopic stress field of the composite structure in direction 11 for analysis time of (a) t = 600 s that correspond to the tensile and (b) t = 800 s that correspond
to the compression.
where α is the second order thermal expansion coefficient ten- variables variables
sor and θ i is the initial temperature. From a thermodynamical ∂ψ
ε σ= = Ce : ε − ε p − α ( θ − θ i )
point of view, the state laws for a generalized standard mate- ∂ε
∂ψ θ
rial are obtained by differentiating the Helmholtz free energy po- θ η=− = α : σ + c0 ln + η0
∂θ θi
tential with respect to the state variables. The chosen state vari- Internal state Associated Evolution
ables for the constitutive law in discussion are the total strain variables variables laws
ε, the temperature θ , and the internal state variables Vk that ∂ψ ∂F ˙
p R= = R ( p) p˙ = − λ = λ˙
consist of the viscoplastic strain εp and the effective viscoplastic ∂p ∂R
∂ψ ∂F ˙ 3 dev(σ )
strain p. The Helmholtz free energy potential corresponding to a εp −σ = ε˙ p = λ= p˙
∂ εp ∂σ 2 eq(σ )
thermoelastic-viscoplastic material with isotropic hardening takes
the form (Lemaitre and Chaboche, 1990; Praud et al., 2017; Chatzi-
georgiou et al., 2018) pation is eventually expressed as
˙ = σ : ε˙ p − R p˙ ≥ 0. (52)
ψ = ψ (ε, θ , V k ) = ψ (ε, θ , ε p , p)
Moreover, the evolution laws for εp and p are obtained from a
1 yield-type criterion
= ε − ε p − α ( θ − θ i ) : Ce : ε − ε p − α ( θ − θ i )
2 F (σ , R ) = eq(σ ) − R − R0 , (53)
ψe
p through the classical normality rule. In the latter expression, eq(σ )
θ denotes the von Mises equivalent stress and R0 is the elasticity
+ c0 θ − θ i − θ ln i − η0 θ + e 0 + R( p
)d p
. (50)
θ threshold. The evolution equations of the internal state variables
v p
0
are summarized in Table 2. Due to the viscoplastic nature of the
ψ th ψ
material, the criterion F is not similar to the one used in plastic-
In the above potential, Ce denotes the elastic fourth order tensor, ity, i.e. always negative or zero. Instead, it satisfies the following
c0 is the specific heat capacity per unit volume at constant pres- relation
sure. Moreover, η0 and e0 are the initial entropy and the internal { F }+ = Q ( p˙ ), Q( p˙ ) = H p˙ m , (54)
energy respectively. Finally, R(p) is the hardening function related
where { • }+ are the Macaulay brackets and H, m are viscous related
to the viscoplasticity, chosen here in the power law form
material parameters.
R( p) = K p n , (51) The above constitutive law for thermoelastic-viscoplastic
material is well established in the literature (Lemaitre and
where K and n are hardening related material parameters. Follow- Chaboche, 1990). Its numerical implementation through a return
ing the classical procedure, derivatives of the Helmholtz free en- mapping algorithm scheme (convex cutting plane) and the identi-
ergy potential are used to identify the associated forces to the ther- fication of its continuum tangent operators Dε , Dθ , Rε and Rθ are
modynamic variables. Table 2 summarizes the various variables discussed in detail in Chatzigeorgiou et al. (2016, 2018).
implicated to the thermodynamic description of the constitutive
law. 4. Multiscale FE2 computation of fully coupled
According to the second principle of thermodynamics, the dissi- thermo-mechanical problem
pation is always positive or null. For this material, the mechanical
and thermal dissipations are assumed decoupled and viscoplastic- To predict the macroscopic behavior of a composite struc-
ity is the only mechanism that stores energy permanently. From ture while taking into account the effect of the microstruc-
the usual thermodynamic arguments, the mechanical (local) dissi- ture and the thermo-mechanical couplings, a homogenization
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 135
Fig. 23. Microscopic stress field of the microstructure that correspond to the critical point A of the structure in direction 11 for analysis time of (a) t = 600 s that correspond
to the tensile and (b) t = 800 s that correspond to the compression.
Fig. 24. Evolution of the macroscopic stresses with strain at the critical point A of the structure Fig. 22 in the directions 11, 22, 33 and shear 12.
described in Section 3.3, and thermoelastic reinforcement. Young modulus Em 2.680 72.0 GPa
The main purpose of this section is to demonstrate the per- Poisson ratio ν m 0.3 0.26 –
thermal expansion α 95.e−06 9.0e−06 1/K
formance and the capabilities of the thermo-mechanically, fully
density ρ 1.19e-03 2.53e−03 g/mm3
coupled two-scale finite element technique to predict the over- specific heat capacity Cp 1590 830 J/gK
all response of 3D composite structures facing complex cases of thermal conductivity κ 0.35e−03 0.93e−03 W/mmK
thermo-mechanical loading. The section is partitioned into three elastic limit R0 15 – MPa
parts to highlight the different aspects of the proposed technique. K 365.0 – MPa
n 0.39 – –
The first part Section 5.1 present the validation of the multi-scale
H 180.0 – MPa.sm
approach by comparing the numerical results with that of the m 0.3 – –
fully meshed Finite Element (FE) model under adiabatic conditions. θ int 293.15 293.15 K
Therefore, a microstructure with a spherical inclusion is considered
under a given macroscopic load. In the second part Section 5.2.1, a
tensile test on 3D non-symmetric notched plate is studied under 3D solid elements for coupled temperature displacement analy-
three different displacement rates with Robin boundary conditions sis). Furthermore, the unit cell discretization is performed using
that are applied in two different surfaces. Finally, the third part 292 nodes and 1219 C3D4 elements1 (Fig. 5b). The unit cell con-
Section 5.2.2 corresponds to cyclic loading (tensile-compression) sists of thermoelastic-viscoplastic matrix reinforced by thermoelas-
on the same non-symmetric notched plate under varying thermal tic spherical inclusion. On the other hand, the full structure con-
conditions. It should be noted that in the last two examples, the sists of the same unit cell, repeated periodically in the three spa-
composite material is considered as a thermoelastic-viscoplastic tial directions (Fig. 6a and b). Its discretization is performed with
matrix reinforced by thermoelastic aligned short glass fibers. C3D4T elements (4 nodes tetrahedral elements with one integra-
tion point, 3D solid elements for coupled temperature displace-
5.1. Validation of FE2 approach by comparison with full structure ment analysis). The coarse discretization involves 208,651 nodes
and 1,219,0 0 0 elements (Fig. 6). The volume fractions of the ma-
In order to validate the proposed approach presented previ- trix and the fibers are V m = 0.8 and V f = 0.2 respectively for the
ously, the numerical results are compared with that of a single two models.
scale FE computation, considering a full structure of 10 × 10 × 10 The two cases (FE2 and full structure) are subjected to the same
unit cells (Fig. 6) under the same boundary conditions. For the two thermo-mechanical loading conditions. The material parameters of
numerical simulations, a 3D composite cube under displacement the two phases are presented in Table 3. For the macroscopic ther-
controlled loading in direction 11 (up to 10% with a rate of 1% per mal conductivity κ, it is found from the solution of the purely
s) and zero Neumann thermal boundary conditions is simulated.
The descritization of the FE2 for the macroscopic model and for the 1
From the microscopic analysis only the coupled thermo-mechanical terms are
unit cell at each macroscopic point is shown in Fig. 5. The coarse required. These can be computed directly from the stress, the strain, the tempera-
discretisation of the macroscopic model consists of 64 nodes and ture and the internal variables through the mechanical constitutive law. Thus, there
27 elements of type C3D8T (8 node with 8 integration points, is no need to utilize thermomechanically coupled finite elements at this scale.
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 137
Fig. 25. Macroscopic temperature distribution (in K) in the structure for analysis time of (a) t = 600 s, (b) t = 800 s and (c) t = 1000 s.
Fig. 27. Local dissipation field (in mW.mm−3 ) in the critical point A of the structure for analysis time of (a) t = 400 s, (b) t = 600 s and (c) t = 800 s.
Fig. 28. Evolution of the local dissipation effect on the macroscopic temperature at the characteristic points (A, B, C, D, E and F) during the analysis.
displacement u is increased linearly from 0 to 2 mm in 100 s. In tic due to its low thermal conductivity. The interest of the FE2 ap-
the second step, the loading rate is decreased and the displace- proach resides also in the estimation of the local and global dissi-
ment is increased linearly from 2 to 2.2 mm in 100 s. After 200 s, pation. Fig. 19 presents the local dissipation distribution φ˙ in the
the applied displacement decrease from 2.2 to 0 mm in 100 s. microstructure at the critical point A for analysis times of t = 100 s
A constant time increment
t = 5 s is imposed throughout the and t = 300 s. It can be clearly observed that the dissipation is
whole analysis. The film condition is applied on the front surface localized in the interface fiber-matrix and especially at the fibers
with film coefficient hc1 and the top surface with film coefficient end. In Fig. 20 the evolution of the macroscopic local dissipation
˙
hc2 , as depicted in Fig. 13b. The two film coefficients are equal to according to the time is presented in several characteristic points
hc1 = 2.10−4 W/mm2 K and hc2 = 6.10−4 W/mm2 K respectively and of the structure (A, B, C, D, E and F). It has a rapid increase when
are assumed to remain constant during the analysis. In this sim- the composite enters in the plastic regime, followed by a sudden
ulation, the initial temperature of the structure is θ int = 293.15 K drop and a long small decrease during the relaxation and the un-
(20 °C) and the sink temperature is θ 0 = 310.15 K (37 °C). In the loading steps. Finally, a short increase during the compression is
thermo-mechanical simulation, the temperature θ int must be equal obtained when the composite enters in the final stage of plastifi-
to θ i of Eq. (49) to avoid the residual stresses and to ensure that cation close to the end of the analysis.
the initial state of the unloaded structure is in thermal equilibrium.
The obtained results of the analysis are demonstrated at char-
acteristic macroscopic points of the structure. The Figs. 14 and 5.2.2. Cyclic thermo-mechanical loading
15 present the macroscopic and microscopic stress fields in the The third numerical example presents a practical design appli-
direction 11 at t = 200 s and t = 300 s. As expected, it can be cation of composite structures that requires the numerical study of
clearly seen that the major part of the stress in the direction of the the response under cyclic loading. The structure is clamped at the
mechanical loading is transferred to the fibers. Fig. 16 shows the left side and subjected to the cyclic loading of Fig. 21b on the right
stress-strain curves at the macroscopic characteristic critical point side (tensile-compression test).
A of the structure (Fig. 14) at the end of the thermo-mechanical In the first steps (from t = 0 s to t = 800 s), the front and the
loading. The results illustrate also that the response of the com- top surfaces of the structure is the Robin boundary on which a
posite is highly influenced by the presence of the matrix through forced convection heat transfer is modelled. Two different film co-
the relaxation phenomena. On the other hand, the temperature re- efficients on the two different surfaces, as depicted in Fig. 21a, are
sponse exhibits an elevation of 16 °C, which is mainly due to the imposed. The film coefficient of the front surface is assumed to be
thermal conditions (convection), as presented in Figs. 17 and 18 for hc1 = 4.10−4 W/mm2 K, while the second one on the top surface is
analysis times of t = 100 s, t = 200 s and t = 300 s. This elevation assumed to be hc2 = 8.10−4 W/mm2 K. The other step of simula-
of the macroscopic temperature, demonstrated by the FE2 compu- tion (from t = 800 s to t = 10 0 0 s) is carried out with zero Neu-
tations, can have an important impact behavior of the thermoplas- mann boundary condition. The external temperature is assumed to
be θ 0 = 313.15 K (40 °C). It should be mentioned that, for this ex-
E. Tikarrouchine, G. Chatzigeorgiou and Y. Chemisky et al. / International Journal of Solids and Structures 164 (2019) 120–140 139
ample, the value of the specific heat capacity has been artificially thermoelastic-viscoplastic). The numerical applications performed
increased 10 0 0 times. This non-physical choice of value has been in this article focus on the thermoelastic - viscoplastic regime and
adopted to avoid some technical problems encountered during the the obtained results capture the rate-dependency in the struc-
process computation using the thermomechanical solver of the FE tural behavior and the thermo-mechanical couplings in the poly-
software ABAQUS. Up to the authors knowledge, these technical is- mer composites under complex thermo-mechanical loading.
sues aborting the calculations are related to certain units consis- The proposed strategy has been validated through a compari-
tency in the ABAQUS solver. Nevertheless, this point does not alter son with equivalent single scale simulations. Further simulations
the goal of this example, which consists in demonstrating the ca- have been performed to demonstrate the performance of the two-
pability of the FE2 computations to simulate cyclic loading. scale implementation. In the first example, a 3D non-symmetric
The stress fields, the macroscopic temperature and the evo- notched plate with thermoelastic-viscoplastic polymer matrix re-
lution of dissipation are presented at characteristic points of the inforced by thermoelastic short glass fibers is examined under
structure. In the Figs. 22 and 23, the macroscopic and the micro- complex thermo-mechanical loading. The first example shows the
scopic stress fields in direction 11 are presented for two analysis effect of the loading path on the macroscopic response of the
times that correspond to tensile (Figs. 22a and 23 a) and compres- composite structure. In the second example, a cyclic loading with
sion (Figs. 22b and 23 b) conditions respectively. As expected, the varying thermal boundary conditions are applied on the 3D non-
major part of the stress is transferred to the fibers and the in- symmetric notched plate consisting of a short glass fiber reinforced
terface between fibers and matrix. Fig. 24 show the macroscopic composite with thermoelastic-viscoplastic polymer matrix. This ex-
stress evolution due to cyclic loading at the critical point A of the ample illustrates the evolution of the dissipation and its influence
structure in three directions (11, 22, 33 and shear 12). It is clear on the temperature variations during the thermo-mechanical load-
that the higher amplitude of stress is in the fibers direction. The ing.
material exhibits an accumulation of strain from one cycle to an- From a practical point of view, the proposed strategy can be
other. In addition, hysteresis loops can also be observed at each used in cases of composites with strong interaction between the
cycle due to the nature of the polymer matrix. Fig. 25 presents the mechanical and thermal fields, for instance reinforced polymeric
macroscopic temperature evolution due to the cyclic loading and materials whose viscoplastic/viscoelastic behavior is sensitive to
forced convection at different time steps. As expected, the tem- the temperature variations. Moreover, further investigations on lo-
perature elevation induced by the dissipative mechanisms and the cal behavior can be considered, e.g., coupling of damage with the
forced convection remains relatively low (about 1 to 4 °C, Fig. 26). dissipation and the increase of temperature, as well as the exten-
Between 0 and 800 s the macroscopic temperature presents an al- sion of the approach towards oligocyclic fatigue analyses and life-
most linear elevation, while at later times the temperature is con- time estimation of composite structures. It should be pointed out
stant with a slight decrease. The temperature elevation is mainly that such analyses are computationally time consuming and re-
caused by the forced convection and is not significantly influenced quires then certain reduction model strategies (Oliver et al., 2017).
by dissipation, due to low number of cycles (3–5 cycles). At low
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