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Materials Science & Engineering A 559 (2013) 4048
a r t i c l e i n f o a b s t r a c t
Article history: Both metallurgical and mechanical behaviors of a 319 foundry aluminum alloy have been modeled by
Received 22 May 2012 means of a multiscale approach. The nano-scale, represented by the coarsening of Al2Cu precipitates,
Received in revised form has been modeled according to the LifshitzSlyozovWagner (LSW) law in a range of temperature going
18 July 2012
from 23 1C to 300 1C up to 1000 h aging time. Results were then compared to transmission electron
Accepted 23 July 2012
microscope (TEM) observations and are in good agreement with the experimental measurements. The
Available online 31 July 2012
model allows us to know the critical radius, the volume fraction and the number of particles per mm3 in
Keywords: a a-phase representative volume element (RVE). The increase in yield stress generated by the
319 Foundry aluminum alloy interaction of dislocations with precipitates, lattice and solid solution, is modeled on the microscale.
Multiscale modeling
The yield stress becomes thus a function of the precipitation state, and is time/temperature dependent.
Al2Cu coarsening
These two models were then combined into a mechanical macroscale model in order to represent the
Yield stress
Low cycle fatigue behavior Low Cycle Fatigue (LCF) behavior of the material. An elasto-viscoplastic law has been used and all the
Transmission electron microscope material parameters were experimentally determined with LCF stress/strain loops for the rst cycle and
for the mechanical steady state. The simulation results are in good agreement with the experiments.
& 2012 Elsevier B.V. All rights reserved.
0921-5093/$ - see front matter & 2012 Elsevier B.V. All rights reserved.
http://dx.doi.org/10.1016/j.msea.2012.07.096
R. Martinez et al. / Materials Science & Engineering A 559 (2013) 4048 41
0
simulations to represent growth and coarsening of y to y in According to Silcock et al. [10], articial aging allows plate
0
aluminumcopper alloys. shaped Al2Cu (y ) precipitates to grow following epitaxial rela-
General models, i.e. models coupling precipitation kinetics and tionships with the matrix: 100y0 J100Al and 001y0 J001Al .
0
mechanical behavior, have also been investigated in recent years. Thereby, y precipitates grow in the {001} a-phases plans accord-
Interaction between dislocations and precipitates has been intro- ing to the well known timetemperature dependent kinetics: GP
00 0 0
duced to determine the stress increase generated by shearing or zone -y -y -y (Al2Cu). y precipitates have a tetragonal
bypassing of the precipitates in order to predict the yield stress of crystallographic structure with parameters a 0.404 nm and
the alloy. Deschamps et al. [22] used a model based on thermo- c0.580 nm [1015]. During aging, plate shaped semi-coherent
dynamics to describe both growth and coarsening of precipitates of y0 precipitates will coarsen and loose their coherency to reach a
an AlZnMg alloy. The yield stress was calculated by estimating the pseudo-spherical shape.
average obstacle strength (mean square of shearing and bypassing
contribution), the contribution of dislocation hardening and the 2.2. TEM specimen preparation
solid solution hardening. These models were then used by Simar
et al. [23] on friction stir welded 6005A-T6 aluminum alloy, by Over-aged samples were obtained by articial annealing of
Gallais et al. [24] on friction stir welded AA106 aluminum alloy and initially 319-T7 samples. Three millimeter carrots were then
by Myhr et al. [25,26] on AlMgSi alloys. Gandin et al. [27] obtained, sliced into discs of 1002120 mm thick and thinned by
introduced in this approach the physical metallurgy of solidication twin-jet electropolishing for observations in a JEOL 2000EX
in order to obtain a global model, going from solidication to aging. 0
transmission electron microscope. Platelets y were observed in
Nicouleau-Bourles et al. [28,29] used an internal variable to dark eld and the two dimensions (length and thickness) in the
introduce aging in an elasto-viscoplastic model of a 319-T5 alloy. /001SAl were measured close to this axis (Fig. 2a). Incoherent y
This parameter was then developed and generalized to other precipitates were observed in bright eld from a zero degree tilt
thermal treatments and alloys by Barlas et al. [30,31]. These angle (Fig. 2b). In both cases, TEM micrographs were scanned at
models are based on experiments to calibrate all the material 600 dpi for image analysis.
parameters in the elasto-viscoplastic constitutive equations.
Nevertheless, in both cases, the aging model remains phenomen-
ological, so that it can be hardly extended to new thermomecha- 3. Metallurgical model
nical conditions or chemical compositions.
The aim of this paper is to develop a theoretical multiscale 3.1. Characterization of the precipitate morphology at T7 initial
model. Starting from a T7 temper, thermodynamics [19] was used state
to model Al2Cu coarsening as a function of aging time and aging
temperature. The results were then compared to TEM observa- The phenomena of nucleation and growth are not taken into
tions to verify the accuracy and the robustness of the coarsening account in the modeling process. Only coarsening is modeled
model. A micro-mechanical model, taking into account the because the industrial T7 treatment creates overaging. The super-
average interaction of dislocations with precipitates, solid solu- saturation of copper was determined by assuming that the water
tion atoms and lattice friction has been coupled to the coarsening quench is instantaneous and by subtracting the solubility of
model. As a consequence, the yield stress is sensitive to aging. copper in aluminum at the aging temperature to the solubility at
Both models were implemented in the Zset software [32] to
model the LCF behavior of a 319-T7 alloy from 23 1C to 300 1C.
2.1. Materials
Table 1
Chemical composition of the 319 foundry aluminum alloy used in this study.
Elements % Fe % Si % Cu % Zn % Mg % Mn % Ni % Pb % Sn % Ti
wt% o 0:70 7.08.5 2.83.5 o 0:80 0.250.40 0.100.60 o 0:30 o 0:10 o 0:10 0.100.20
42 R. Martinez et al. / Materials Science & Engineering A 559 (2013) 4048
Fig. 2. (a) Dark eld micrograph of semi-coherent plate shaped Al2Cu precipitates, T7 temper. The diffraction pattern is in the inset and the zone axis is /001SAl ; (b) Bright
eld micrograph of non-coherent Al2Cu precipitates, T7 300 h at 300 1C temper.
with rt being the radius of the particle, s the surface energy of At time t dt, Nt dt r can be estimated according to
Al2Cu particles, t the aging time, Vm the molar volume of the
particle, and R the perfect gas constant. After integration of Eq. dr dr
Nt dt r N t r Jt r J t r dt 7
(2), LSW theory gives, at constant temperature, the well known 2 2
R. Martinez et al. / Materials Science & Engineering A 559 (2013) 4048 43
Eq. (7) could be re-written with an explicit formulation, i.e. Semi-coherent and incoherent particles are bypassed by dis-
with drt r=dr written, at t, as locations, according to Orowans looping mechanism. In the case
of a homogeneous precipitation, we assume that one dislocation
drt r d rt rvt r
13 has to pass over all the obstacles contained in the slip plane.
dt dr
According to Deschamps et al. [22], a dislocation can overpass a
Using an implicit scheme, i.e. writing drt r=dr in Eq. (13) at homogeneous particle distribution at a critical stress sp
t dt, and approaching the value of drt dt r=dr by a centered Z
nite differences scheme brings to the following equation: MF M 1
sp rrFr dr 20
bL bL 0
dt
rt r rt dt r1 Wr rt dt r dr Ur with M being the average ratio between the macroscopic tensile
2dr
stress and the resolved shear stress on the active slip systems.
dt
rt dt rdr Ur 14 Two assumptions can be considered to choose M value. On the
2dr
one hand, the static Sachs model assumes that all the grains have
with U K ss =2r 2 drr=rct 1 and W K ss =r 3 1r=2rct . the same stress: it gives M 2.14 in texture-free FCC materials. On
If a discrete population is assumed and if t n n dt and r i i dr: the other hand, Taylors model assumes that all the grains have
8 the same plastic strain and provides M 3.07. Following the study
>
> rt r rn i
>
> of Barlas et al. [46] on a 319 alloy, a value of M 2.5 will be used
< rt dt r rn 1 i
15 in this study. F represents the mean obstacle strength, b the
>
> rt dt r dr rn 1 i 1 modulus of the Burgers vector, L the average spacing between
>
>
:r
t dt rdr rn 1 i1 two particles, rr the function representing the precipitate size
R rmax
distribution (with rmin rr dr 1) and nally F(r) the obstacle
Eq. (14) can be written as
strength of a precipitate of radius r.
X X dt In the case of bypassing, F(r) can be considered as a constant
rn i di,j rn 1 j1 Wi di 1,j rn 1 j Ui 2
j j
2dr [22]: F 2bmb , with b being a material parameter and m the
X shear modulus of the alloy. Moreover, the average spacing L
dt
di1,j rn 1 j Ui 16 between two particles could be calculated by considering two
j
2dr
models [22]: Friedels statistics (if the particles are low obstacles
44 R. Martinez et al. / Materials Science & Engineering A 559 (2013) 4048
strength) or Kocks statistics. Both approaches involve the critical with ryFy dy being the number of interactions between a
radius rc and the particle volume fraction fv: dislocation and atoms located at a distance y in the slip plane.
" # Therefore, without taking into account the temperature, and
p 1=2 following Labusch, the increase in yield stress snss generated by
L rc 2 21
fv the solid solution is
The values of rc and fv taken from the coarsening model can c2=3 F 4=3
max z
1=3
then be used to evaluate the average stress increase generated by snss 1=3
24
a4=3 T E 24I1=3
the bypassing of the distribution of precipitates
with c being the solute concentration, Fmax the maximum applied
2bmb
soro M " 1=2 # 22 force, z the material parameter, a the atom section on the slip
p plane of the dislocation, TE the line tension of the dislocation and I
rc 2
fv the parameter calculated in Ref. [50].
Finally, once the temperature is taken into account, sss could
with b being a parameter close to 0.5 at low temperatures
be expressed as in Eq. (23) [55]:
[2226,45,46]. At room temperatures, cross slip of dislocations
operates as a consequence of the high stacking fault energy k T n0 z
sss T snss exp 2 ln snss expK T 25
(200 mJ/m 2 ) of aluminum atoms [47]. At elevated temperatures, E0 V0
i.e. in the range of 200250 1C, this mechanism is favored by with E0 being Youngs modulus of the solid solution, T being the
thermal agitation making the bypassing [48] easier. When a temperature, n0 being the jump frequency of a dislocation on a
dislocation encounters a particle in its slip plane, it can easily solute atom at temperature T, V0 being the initial speed of the
pass over it by changing of slip plane. The consequence of this dislocation and k being the material constant.
conservative phenomenon is a decrease in the stress needed to
move the dislocation over the particle. An easy way to take it into
account is to diminish the value of b from 0.5 to 0.3 in this range 5. Effect of the microstructure on the macroscopic
of temperature and to consider it close to 0.15 at 300 1C in order viscoplastic model
to decrease the average value of soro .
The elasto-viscoplastic model used in this section is an exten-
4.2. Determination of Peierls stress slattice sion of a classical unied viscoplastic model for cyclic loading
[56,57]. In a small perturbation framework, the strain is the sum
Both the nature of the atoms in the lattice and the structure of of a thermoelastic strain and an inelastic strain e e e e p . The
dislocation core drive the values of slattice [4851]. In FCC crystals, introduction of isotropic and kinematic hardening leads to the
the energy needed to move a dislocation is constant and does not following denition of the elastic domain:
depend on temperature in the range of 23200 1C. According to f r , X ,R r0 26
different studies [2224,42,44,52], a value of 10 MPa for slattice
has been used. Over this range, the effect of the lattice strength is where X is a non-linear kinematic hardening variable, R an
very low [48,49] because the thermal vibration of the line makes isotropic hardening non-linear scalar and J the second invariant
its glide possible at small stresses. In consequence, slattice will be of the deviatoric effective stress, denoted by r X d :
assumed to linearly decrease from 10 MPa at 200 1C to 0 at 300 1C. r
3 d d
J r X rX : rX 27
2
4.3. Determination of the solid solution stress sss
The viscoplastic potential O of this model is dened by:
n 1
At room temperature, the presence of B(Cu) solute atoms in K f
O 28
solid solution in the a matrix creates local perturbations [53]: n1 K
The plastic ow is determined by the normality rule
The expansion of the lattice and the creation of an isotropic
geometrical mist generating an elastic strain eld. @O @O @f
e_ p p_ n 29
A modication of the interatomic forces generating a modulus @r @f @ r
mist.
An atomic and chemical segregation creating clusters of B(Cu) where p_ is nothing but the cumulated viscoplastic strain rate:
atoms acting as obstacles for the glide of dislocations. r *f r , X ,R+n
2 p
Electrostatic interactions known as Friedels oscillations _p e_ : e_ p
30
3 K
[50,53].
Two state variables are dened, a for the kinematic hardening
The stress increment generated by interactions between dis- and q for the isotropic hardening:
locations and solid solution could be calculated by considering
3D
two assumptions. First, Fleischer [54] assumes that the interac- a_ e_ p X p_ 31
2C
tions between atoms and dislocations are not considered statis-
tically, the temperature is 0 K and the atoms around the
dislocation are supposed to control its glide. Second, Labusch q_ 1bqp_ 32
[55] introduces a force distribution rFdF around the disloca-
Hence, the hardening variables could be deduced:
tion in order to obtain the number of interactions between the
dislocation and the neighboring atoms at a known stress s. Thus, 2
X Ca 33
the equilibrium condition for a stress s o sss is given by: 3
Z
sb rFyFy dy 23
R bQq 34
R. Martinez et al. / Materials Science & Engineering A 559 (2013) 4048 45
The advanced versions of this type of model use to introduce aging, the distribution is totally asymmetric and spread over r.
several Xs. For the sake of CPU efciency, we restrict ourselves to The total number of particles decreases meanwhile the radius
two Xs only. In such a case, the simplied shape of the model for increases. Table 2 and Fig. 5 summarize the comparison between
pure tension can be written as the simulated values of the average radius and the TEM experi-
C1 C2 mental counterparts for a series of temperature and aging time.
p p p
s sy Ke_ p 1=n Q 1ebe 1eD1 e 1eD2 e The general agreement is very good at 200 1C and 250 1C, and for
D1 D2
long time periods at 300 1C.
35
At 200 1C, an incubation period is observed until 300 h of aging
In the following, the model is seen as a microstructure and the critical radius remains constant at 28 nm. From an aging
informed expression, whose parameters depend on the output period of 300 h, particles start growing, and the average radius
of the metallurgical model. The variable sy is the result of the reaches 41.2 nm after 1000 h. This evolution is well represented
theoretical model computing, at each step of time, the value of by the model, particularly the 200 h incubation period. At 250 1C,
the critical radius as a function of (t,T) and coupling it to a as a consequence of the transition of Al2Cu precipitates from a
micromechanical model. All the parameters are temperature semi-coherent to an incoherent state, all the radii cannot be
dependent. accurately measured. Indeed, TEM images are over-contrasted
and too many precipitates are overlapping thus leading to
difcult discrimination and imprecise measures at intermediate
6. Results and discussion aging times. Above all, the model respects the incubation period,
which is smaller (100 h) than for 200 1C, and is consistent with
6.1. Coarsening of the precipitates the long time TEM measurements. Finally, at 300 1C coarsening
starts quite immediately and the critical radius quickly reaches a
The numerical simulation of the critical radius evolution has high value (58.1 nm at 300 h) to stand at an asymptotic value of
been performed, at 200 1C, 250 1C and 300 1C, with the following 86.4 nm. The t between the experimental points and the model
parameters: curve is not very precise until 600 h of aging. At such a high
0
temperature, the almost instantaneous y -y transition forces the
D0 5.88 10 5 m2 s 1 [6,18,5862]; TEM observations to be in bright eld. In addition, as the
Ea 1.2606 T2 1522.02 T 322,225 [18,6065]; transformation is not complete, little semi-coherent remaining
s 500 mJ mol1 [21,66,67];
xaB,eq exp5761=T 3341 (result of a multicomponent
s
simulation using the Thermocalc software); Table 2
6 3 1
Vm 9.9068 10 m mol ; Comparison between the TEM measured and the simu-
xbB 0:33. lated average radius of the distribution.
8e+07 4e+07
200? C - t=0 300? C - t=20h
200? C - t=500h 300? C - t=50h
7e+07 200? C - t=1000h 3.5e+07 300? C - t=100h
6e+07 3e+07
5e+07 2.5e+07
r,,
R,,
4e+07 2e+07
3e+07 1.5e+07
2e+07 1e+07
1e+07 5e+06
0 0
0 20 40 60 80 100 0 20 40 60 80 100
r ( nm) r ( nm)
Fig. 4. Evolution of the particle size distribution during aging at (a) 200 1C and (b) 300 1C.
46 R. Martinez et al. / Materials Science & Engineering A 559 (2013) 4048
50
The simulations are in quite good agreement with the experimental
results. At 200 1C, the model predicts 114 MPa (experimental:
115 MPa), 90 MPa at 250 1C (experimental: 95 MPa) and 57 MPa
40 at 300 1C (experimental: 50 MPa). With aging, sy decreases due to
precipitate coarsening. Nevertheless, at 200 1C and at 250 1C the
initial incubation period delays sy variation. After 1000 h aging,
30 precipitates are big and separated from each other, so that they no
longer produce any signicant hardening.
1 10 100 1000
t (h)
6.3. Extension of the temperature range
400
Both coarsening and yield stress models were developed at three
350 200C 250C 300C temperatures: 200 1C, 250 1C and 300 1C. This range of temperature
may not fully cover the working temperature range of a cylinder
300 head and models have been extended to a range of 23200 1C.
Hence, the activation energy Ea for Cu diffusion in Al and the
250 parameter b become temperature dependent following values found
in the literature [18,2224,42,44,52,6065], as shown in Fig. 7.
tot.nb.
100
6.4. Elasto-viscoplastic modeling
50
The parameters of the viscoplastic model were determined
0 using isothermal LCF results at 23 1C, 150 1C, 200 1C, 250 1C and
0 200 400 600 800 1000 300 1C. These temperatures were chosen to validate the extension
t (h) of the two previous models. Except D1 and D2 in Eq. (35), all the
parameters of the viscoplastic model are temperature dependent.
Fig. 5. (a) Log log modeling representation of rc evolution at 200 1C, 250 1C and
For unaged and 1000 h aged microstructure, the model is cali-
300 1C and (b) evolution of the number of precipitates versus time.
brated at each temperature on the rst cycle and on a dened
mechanical steady state. This allows the model to capture the
strong softening occurring at high temperature between the rst
precipitates could become out of contrast and be forgotten during and stabilized cycles, and between unaged and aged temperature
measurements. Hence, the value of the critical radius can easily be as shown in Fig. 8. Hence, the alloys behavior under monotonic
overestimated. This overestimation is more likely to occur because
bright eld observations do not allow us to discriminate between
Al2Cu and other types of particles in the a-phase (i.e. agglomerates of
Si and lath shaped Q-phase particles [14,15,65,70]). Nevertheless, for
300 1C1000 h conditions, coarsened particles are large enough
and sufciently separated from their rst neighbors to be accu-
rately measured and counted, that is why the experimental radius
(85.2 nm) is well modeled (85.4 nm).
According to the LSW theory, the number of precipitates is
decreasing with aging time (Fig. 5b). Above 300 1C, the number
quickly reaches low values (i.e. 10 precipitates=mm3 ). On the
contrary, at low temperatures, the incubation period introduces
a slow decrease in the total number of particles during the rst
hours of aging.
6.2. Evolution of sy
130 0.4
50
Q (kJ.mol1)
(MPa)
125 0.3
120 0.2
-50
115 0.1
-100
110 0 -0.006 -0.004 -0.002 0 0.002 0.004 0.006
293 350 400 450 500 573
Strain
T (K)
Fig. 9. Results of the elasto-viscoplastic model at 300 1C: (a) unaged material and
(b) aged material.
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