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Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Babak Kouchmeshky
Admission to Candidacy Exam Presentation
Date April 22,2008
A multi-scale design approach for tailoring the macro-scale properties of
polycrystalline materials
OutlineOutline• Modeling HCP polycrystals deforming by slip and Modeling HCP polycrystals deforming by slip and
twinningtwinning
• A design approach for tailoring the processing A design approach for tailoring the processing parameters that lead to desired macro-scale parameters that lead to desired macro-scale propertiesproperties
• A microstructure-sensitive design approach for A microstructure-sensitive design approach for controlling properties of HCP materialscontrolling properties of HCP materials
• Future workFuture work
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
I. Constitutive modelI. Constitutive model
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
TheoryTheory
DEFORMATION TWINNINGDEFORMATION TWINNING
Twinning produces a rotation of crystal lattice.
Important deformation mode for HCP materials
Dominant at room temperature. Twinning is lesser at high temperatures.
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
SLIP AND TWIN PLANESSLIP AND TWIN PLANES
Basal slip system Prismatic slip Pyramidal slip Pyramidal twin
a2 - axis
c - axis
a1 - axis
a3 - axis
e1
e2
e3
Orthogonal system used for modeling
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
TWINS MODELED AS PSEUDO-SLIPTWINS MODELED AS PSEUDO-SLIP
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Dawson and Myagchilov (1999)
1
twb
twn
1
Sx x
( )tw twSb x n
CONSTITUTIVE MODEL FOR SLIP AND TWINNINGCONSTITUTIVE MODEL FOR SLIP AND TWINNING
Velocity gradient
Hardening law
Isotropic flow rule to account for grain boundary accommodation
For slip and twin systems
no hardening
Consistency condition
(Anand,IJP 2003)
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Condition for slip and twinning
0i is
0 if
0 if th
th
s
s
Crystallographic slip, twinning and re-orientation
of crystals are assumed to be the primary mechanisms of
plastic deformation
Evolution of various material configurations for a single crystal as needed in the integration of the
constitutive problem.
B0
m
n
n
m
m
n
n̂
m
n^ m
__
Bn
Bn Bn+1
Bn+
1
_
_
Fn
Fn
Fn
Fn+1
Fn+1
Fn+1
p
p
e
Ftrial
e
e
Fr
Fc
Intermediateconfiguration
Deformedconfiguration
Intermediateconfiguration
Reference configuration
INCREMENTAL KINEMATICS
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Constitutive theoryConstitutive theory
D = Macroscopic stretch = Schmid tensor = Lattice spin W = Macroscopic spin = Lattice spin vector
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Polycrystal plasticityInitial configuration
Bo BF*Fp
F
Deformed configuration
Stress free (relaxed) configuration
n0
s0
n0
s0
ns
(2) Ability to capture material properties in terms of the crystal properties
(1) State evolves for each crystal
CONSTITUTIVE MODEL FOR SLIP AND TWINNINGCONSTITUTIVE MODEL FOR SLIP AND TWINNING
Solve for the reorientation velocity and the rate of change
in volume fraction of twins
Solve for shearing rates on slip and twin systems
Rate of change of volume fraction
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Arresting of twinning systemsArresting of twinning systems
Three stages of strain hardening obtained using current model.
is a uniform distribution between 0.3 and 1.0.
is supposed to be 0.2.
fP
satf
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Orientation distributionsOrientation distributions
Any macroscale property < χ > can be expressed as an expectation value if the corresponding single crystal property χ (r ,t) is known.
• Determines the volume fraction of crystals within a region R' of the fundamental region R• Probability of finding a crystal orientation within a region R' of the fundamental region• Characterizes texture evolution
ORIENTATION DISTRIBUTION FUNCTION – A(r,t)
– reorientation velocity
ODF EVOLUTION EQUATION – EULERIAN DESCRIPTION
v
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Crystal/lattice
reference frame
e1^
e2^
Sample reference
frame
e’1^
e’2^
crystalcrystal
e’3^
e3^Crystallographic orientation
Rotation relating sample and crystal axis Properties governed by orientation
Discrete aggregate of crystals (Anand et al.)
Comparing & quantifying textures
Continuum representation Orientation distribution function (ODF) Handling crystal symmetries Evolution equation for ODF
Different methodologies in representing the textureDifferent methodologies in representing the texture
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Hexagonal crystal (HCP)
Angle-axis and Rodrigues representationAngle-axis and Rodrigues representation
RODRIGUES REPRESENTATION
Neo-Eulerian representation of orientation Rotations about a fixed axis trace straight
lines in parameter space Set of orientations equidistant from two
rotations is always a plane Helps reduce symmetries to between a pair
of planes – fundamental region
( ) tan2
f ( )r nf
Rodrigues vectorr
ANGLE AXIS REPRESENTATION
Any orientation can be uniquely represented by a rotation about an axis n by an angle Φ
Φ
n
( ) cos( )( ) sin( )R n n n I n n I n 1 1
cos ( 1)2
traceR 1
sinn vectR
LATTICE REORIENTATION DUE TO TWINNINGLATTICE REORIENTATION DUE TO TWINNING
Twin plane normal
1( 2 )x n n x xI T
angle
Crystal Axis = h 180o
Twin mapping is a reflection
• Can be represented as a rotation of crystal axis about twin normal through 180o
1( )T I T
In quaternion representation, Tq = [0,n1,n2,n3]
1) Convert crystal axis h to the quaternion representation hq
2) Perform quaternion product Q = Tq hq
3) Project Q to the fundamental region (QF) based on crystal symmetries
4) Convert QF to Rodrigues representation
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
We take advantage of Quaternions in here. They prove useful for coordinate transformations. The quaternion method is the natural choice when the coordinate systems keep moving.
ORIENTATION DISTRIBUTION FUNCTION (ODF)ORIENTATION DISTRIBUTION FUNCTION (ODF)
Conservation Conservation principleprinciple
Texture can be Texture can be described, described, quantified & quantified & comparedcompared
Why continuum approach for
ODF?
EVOLUTION EQUATION FOR THE ODF EVOLUTION EQUATION FOR THE ODF
J – Jacobian determinant of the reorientation of the crystals
r – orientation of the crystal.A – is the ODF, a scalar field;
Constitutive sub-problemConstitutive sub-problem
Taylor hypothesis:Taylor hypothesis:deformation in each deformation in each crystal of the polycrystal crystal of the polycrystal is the macroscopic is the macroscopic deformation.deformation.
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
( , ) ( , ) ( ,0)J r t A r t d A r d
ODF EVOLUTION EQUATION WITH TWINNINGODF EVOLUTION EQUATION WITH TWINNING
Calculate crystal reorientation
Initial random ODF = 1.2158 at all nodal points
HCP Fundamental region
Source term due to twinning
Volume fraction lost
Volume fraction gained from other orientations
Total Lagrangian formulation
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
VOLUME FRACTION OF TWINSVOLUME FRACTION OF TWINS
Volume fraction lost due to transfer of orientation from r to rk
r
rk
Orientation space
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Dawson and Myagchilov (1999)
Numerical resultsNumerical results
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
I. Tension modeI. Tension mode
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
• modeling tension on an initially textured modeling tension on an initially textured Magnesium alloy AZ31B rodMagnesium alloy AZ31B rod
Initial texture Initial texture
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
initial texture in the experiment by anand and
staroselsky , 2003
initial texture used in the simulation
Material properties Material properties
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Elastic constants:
11 12 13 33
55
C = 58 GPa; C = 25 GPa; C = 20.8 GPa; C = 61.2 GPa;
C = 16.6 GPa.
basal prismatic
pyramidal twin
s = 0.55 MPa; s = 105 MPa;
s = 105 MPa; s = 180 MPa.
Slip resistances:
Slip and twining systems:
Final texture Final texture
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Texture of the Mg rod at the tensile strain of 15% in the experiment by anand and staroselsky, 2003
Texture of the Mg rod at the tensile
strain of 15%
Comparison between stress-strain curve from experiment, this work and numerical simulation by anand and staroselsky , 2003
II. Compression modeII. Compression mode
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
• Modeling compression on an initially Modeling compression on an initially textured Magnesium alloy AZ31B rodtextured Magnesium alloy AZ31B rod
Material properties Material properties
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Elastic constants:
11 12 13 33
55
C = 58 GPa; C = 25 GPa; C = 20.8 GPa; C = 61.2 GPa;
C = 16.6 GPa.
basal prismatic
pyramidal twin
s = 0.55 MPa; s = 105 MPa;
s = 105 MPa; s = 180 MPa.
Slip resistances:
Slip and twining systems:
Final texture Final texture
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Texture of the Mg rod at the tensile strain of 18% in the experiment by Anand and
Staroselsky, 2003
Texture of the Mg rod at the tensile strain of 18%
Stress-strain curve Stress-strain curve
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Comparison between stress-strain curve from
experiment, this work and numerical simulation by
anand and staroselsky,2003
3 different stages in the normalized strain hardening
response
III. Shear modeIII. Shear mode
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
A shear mode is assumed.
In this problem texture evolution and stress-strain curve is examined for Titanium.
Material properties Material properties
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Elastic constants:
11 12 13 33
55
C = 256.6 GPa; C = 0.36 GPa; C = 69.7 GPa; C = 325.13 GPa;
C = 46.71 GPa.
basal prismatic
pyramidal twin
s = 150.0 MPa; s = 30.0 MPa;
s = 120.0 MPa; s = 125 MPa.
Slip resistances:
Slip and twining systems:
Result (cont.)Result (cont.)
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Experimentally measured texture of Ti at effective strain 1 for the shear mode
Numerically predicted texture of Ti at effective strain 1 for the shear mode X. Wu et al, Acta Materialia 55 (2007)
Experiment This work
Result (cont.)Result (cont.)
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Experiment is done by Wu et al. (2007)
IV. Plain strain compression IV. Plain strain compression modemode
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
A plane strain compression mode is assumed.
( , )( ( , ) ( , )) ( ,0)J r t A r t r t d A r d
In this problem texture evolution is examined for Titanium .
Material properties Material properties
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Elastic constants:
11 12 13 33
55
C = 256.6 GPa; C = 0.36 GPa; C = 69.7 GPa; C = 325.13 GPa;
C = 46.71 GPa.
basal prismatic
pyramidal twin
s = 8.0 MPa; s = 1.0 MPa;
s = 10.0 MPa; s = 1.25 MPa.
Slip resistances:
Slip and twining systems:
ResultResult
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Results obtained by Myagchilov and Dawson, Simul. Mater. Sci. Eng. 7 (1999)975-1004
6543210
Evolved texture at effective strain of 0.5
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
CONCLUSION(part 1)CONCLUSION(part 1)
1) Continuous representation of texture
• Eliminates the need for splitting existing elements to account for new orientations caused by twinning
• Provides a natural tool for calculating sensitivities needed for design problem
2) Twinning is accounted through pseudo shear and reorientation of crystals
3) Twin saturation is phenomenologically accounted for.
4) ODF conservation equation modified to include the source and sink terms due to twinning.
5) The constitutive model is tested for Titanium and Magnesium alloy AZ31B.
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Enhancing properties of polycrystals through Enhancing properties of polycrystals through a sensitivity problem that spans macro and a sensitivity problem that spans macro and micro scalesmicro scales
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
The orientation of crystals in a poly crystal sample has a direct influence on the properties of the specimen in the macro scale.
Crystals reorient during the deformation. So macro scale processing parameters like velocity gradient affect the crystal reorientation.
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Definition of the problemDefinition of the problem
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
The aim of this problem is to design the processing parameters in a sequence of two processes such that a micro structure with desired properties is obtained
Desired qualities:
High hardness and ductility
Convex hull of B,G,B/G
The hardness and ductility are presented by Bulk modulus (B), Shear modulus and B/G.
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Problem statementProblem statement
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Sub problems:
1- Find the texture that provides the maximum hardness and ductility
2- Find the reduced order model for the processes
3- Find the optimum texture from process plane
4- Define the design problem as two coupled optimization problems where each represent a process.
5- Find the convex hull of textures obtainable from process 1
6- Define a supplementary problem for reducing the computational efforts needed for the inverse problem
7- Solve for the constrained optimization
X Y
Z
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Optimizing the processes to get the Optimizing the processes to get the optimum textureoptimum texture
• Step1: Find the design parameter L2 and initial texture A1 such that at the end of process 2 the desired texture is obtained. There will be a constraint on A1 based on the textures obtainable from texture 1.
• Step2: find the design parameter L1 in process 1 that leads to final texture A1.
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
T 2T
A1 A2L2
L2 and L1 are the design parameters
Process 1 is supposed to start from a random texture
T
A1L1
0
ˆ( , ) ˆ( , ) ( , ) 0A s t
A s t v s tt
0
ˆ( ,0) ( )A s A s
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
The sensitivity problemThe sensitivity problem
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
( , )( , ) ( , ) ( , ) ( , ) 0
oo oA s t
A s t v s t A s t v s tt
with the initial condition : ( ,0) 0o
A s
The sensitivity problem with respect to The sensitivity problem with respect to design parameters (L1,L2)design parameters (L1,L2)
The sensitivity problem with respect to the The sensitivity problem with respect to the field A1field A1
1with the initial condition : ( ,0) 0 ( )o
A s A s
( , )( , ) ( , ) 0
ooA s t
A s t v s tt
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Sensitivity of the reorientation velocitySensitivity of the reorientation velocity
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
1 1 1 1 1 1
1 1 11 1 1
2
2
o o
n nn n n n n
o o o
n n nn n n
tr r r r
tr r r
I I Ωo
o rv
t
1 e eo o oeT e eT eT
n nt
Ω R R R R R Ro o
vect Ω
1 1 1o o o
e e e e e e eT e e esym sym
R F F R R U F F F R
Constitutive sensitivity problemConstitutive sensitivity problem
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Definition of the adjoint problem Definition of the adjoint problem
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
1 1 12 2 2ˆ ˆ ˆ2 ( ( ) ( )) ( , )) = 2 ( ,0) ( ,0))A des A f AJ A s A s A s t d s A s d
2
( , ) ˆ( , ) ( , ) ( ( ) ( )) ( )
des f
s ts t v s t A s A s t t
t
with initial condition
( , ) 0fs t
2 22 2 ( ) 2 ( )( ( , ) , ( , )) ( ( ,0), ( ,0))o o
des f l lA s t A A s t s A s
12 2( , ) ( , )o
AA s t D A s tLagrange identity for obtaining the adjoint operator
*2 2( , ) ( , ) 0
o o
L A L A
Gradient of the objective functional
where is the solution of the following problem
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
The texture that provides the maximum hardness and ductility
where
2
1 1
1 2 3
21 1
1
(1 )
, ,
1
(1 )
1
ji ji i i
i i i i ii
i i
N N
i i i
f X Jr r
BX B X G X G
y A
Q I
P Jr r
b
1
2
3
such that
Py=b
Qy 0
T
T
T
f y
Max f y
f y
Convex hull of B,G and B/G values obtainable for a single crystal
X Y
Z
B= 124.8 GPa, G=58.87 GPa B/G=2.12
The optimum texture from material space
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
The reduced order model
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
first process (simple tension, with random initial texture)
second process (plain strain compression , with initial texture selected from the convex hull of all textures available from process 1.)
Convex hull of textures for process 1( , ) 0, A(s)d =1A s t
1
( , ) ( ) ( )M
j jj
A s t c t s
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
3- Find the optimum texture from process plane
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
11
21
31
1
1
such that
=b
0
bT
m mm
bT
m mm
bT
m mm
bT
m mm
b
m mm
f c
Max f c
f c
p c
Qc
where
2
1 1
1 2 3
1
21 1
1
(1 )
, ,
1
(1 )
1
ji ji i i
i i i i ii
b
m mm
N N
i i i
f X Jr r
BX B X G X G
A c
Q I
P Jr r
b
Prioritizing the objectives
The emphasize is given on the ductility(B/G). Other parameters are treated by inequality constraints which forces them to be greater than two third of the maximum values obtainable.
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
3- Find the optimum texture from process space
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
The optimum texture obtained from the process plane of the sequence of a tension process followed by a plain strain compression process
Process space contains all the plausible textures obtainable from a sequence of processes
X Y
Z
Optimum texture from material space
Optimum texture from Process space
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Verify
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
From sensitivity analysis,1st process t=5 sec
From Finite difference, 1st process t=5 sec
1 2 2 1 2 2 2 1 2( , , , ) ( , , , ) ( , ,0) ( , , ,0)o o
desA A L s t A A A L s t d s L A A L s d
1 2 2 1 2( , , , ) ( , , , ) 0.20733o
desA A L s t A A A L s t d
12 2 1 2( , ,0) ( , , ,0) 0.2084As L D A A L s d
111 2 ( ,0,...,0) 2 11 12 1( , , , ) ( , , , ,..., )o
A nA A L s t D A L t A A A
Verify sensitivity problem
Relative error: 0.3%
Verify supplementary problem
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
Verify
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
1 12 2 1 2 1 2 2 1 2( , ,0) ( , , ,0) ( , , , ) ( , , , )A des As L D A A L s d A A L s t A D A A L s t d
To verify
define1 12 2 1 2 1 2 2 1 2( , ,0) ( , , ,0) ( , , , ) ( , , , )A des AB s L D A A L s d A A L s t A D A A L s t d
12 2 1 2Relative Error = / ( , ,0) ( , , ,0)AB s L D A A L s d
t(sec) Relative error%2L
0.01410
8
6
5
0.020
0.029
0.036
0.50
0.61
0.58
0.65
1 2
1 2
0.2084 0.20733
0.1982 0.1969
0.2429 0.2415
0.2617 0.2600
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
-1-0.5
00.5
1
-1-0.5
00.5
1
Z
-0.200.2
32.72.521.81.510.70.50
-1-0.5
00.5
1
-1-0.5
00.5
1
Z
-0.200.2
Objective function for process 1
Objective function for process 2
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Conclusion (part 2)
• The problem of obtaining metallic alloys with optimum hardness and ductility through cold processing is addressed.
• The problem of finding optimum macro-scale properties was converted to that of polycrystalline texture through linear homogenization methodology.
• The optimum texture was projected from the material space to process space which contains all textures obtainable from the sequence of two parameters.
• Process parameters for a sequence of two deformation modes are optimized through two coupled optimization problems
• A functional optimization methodology is used for addressing the infinite dimensional optimization problem defined.
• Solution of an adjoint problem is used for calculating the gradient of the objective function with respect to a field parameter (initial texture of the second process).
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Forging Forging
• Goals : Goals :
1.1. Minimal material Minimal material wastage due to flashwastage due to flash
2.2. Filling up the die cavityFilling up the die cavity
Material : Ti
• Why multi scale?Why multi scale?
– The evolution of the material properties at the macro The evolution of the material properties at the macro scale has a strong correlation with the underlying scale has a strong correlation with the underlying microstructure.microstructure.
Multi-scale polycrystal plasticity
Multi-length scale design environment
Coupled micro-macro direct model
Selection of the designSelection of the design variables like variables like
preform parameterizationpreform parameterizationCoupled micro-macro Coupled micro-macro
sensitivity modelsensitivity model
Reduced modeling of
microstructure/texture evolution for meaningful and
effective control.
Design based on:
Polycrystal plasticity, evolution of texture, multi-length scale analysis
Deformation problem:
-Updated Lagrangian framework
-Connection to the micro scale through Taylor hypothesis
- Microstructure represented as orientation distribution function (ODF) in Rodrigues space.
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Implementation of the direct problem
Meso
Macro
formulation for macro scale
Update macro displacements
Texture evolution update
Polycrystal averaging for macro-quantities
Integration of single crystal slip and twinning laws
Macro-deformation gradient
microscale stressMacro-deformation gradient
Micro
( , ) ( , ) ( ,0)J r t A r t d A r d
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THE DIRECT CONTACT PROBLEM
r
n
Inadmissible region
Referenceconfiguration
Currentconfiguration
Admissible region
ImpenetrabilityImpenetrability ConstraintsConstraints
Augmented Lagrangian Augmented Lagrangian approach to enforce approach to enforce impenetrabilityimpenetrability
Polycrystal average of orientation
dependent property
Continuous representation of texture
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REORIENTATION & TEXTURINGREORIENTATION & TEXTURING
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A sample direct problem
CCOORRNNEELLLL U N I V E R S I T Y
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Equivalent stress (MPa)
390380375370365360350345340330
350340330325320310300
Equivalent stress (MPa)
610600590580570560550530520510490
Equivalent stress (MPa)
Equivalent stress for the direct problem in different time steps
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SCHEMATIC OF THE CONTINUUM SENSITIVITY METHOD
Advantage : Fast Multi-scale optimization
Requires 1 Non-linear and n Linear multi-scale problems for
each step of the optimization algorithm.
n: number of design parameters
Equilibrium equation
Design derivative of equilibrium
equation
Material constitutive
lawsDesign derivative
of the material constitutive laws
Incremental sensitivityconstitutive sub-problem
Time and space discretized weak form
Sensitivity weak form
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Curved surface parametrization – Cross section can at most be an ellipse
Model semi-major and semi-minor axes as 6 degree bezier curves
6
1
51
3 33
2 55
( ) ( )
(1.0 ) (1.0 5.0 )
20.0(1.0 )
6.0(1.0 )
i ii
R
4 2
2
2 44
66
( ) 0
15.0(1.0 )
15.0(1.0 )
R
/z H
Design vector
1 2 3 4 5 6{ , , , , , }T β
H
Representing the preform shape
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DEFINITION OF PARAMETER SENSITIVITY
state variable sensitivity contourstate variable sensitivity contourw.r.t. parameter changew.r.t. parameter change
X = X (Y; s )
oFR + FR
Y
X
X+Xo
xn+xn
o
xn
oFn + Fn
FR
Fn
BR
Bo
I+Lo
x+xoo
Fr + Fr
x B
xn + xn = x (Y , tn ; s + s)o ~
Qn + Qn = Q (Y, tn ; s + s)o ~
x = x (xn, t ; s)^
B n
xn = x (X, tn ; s )~
Qn = Q (X, tn ; s )~
I+Ln
Main FeaturesMain Features
• Mathematically rigorous Mathematically rigorous definition of sensitivity fields definition of sensitivity fields
• Gateaux differentials (directional Gateaux differentials (directional derivatives) referred to fixed derivatives) referred to fixed YY in the configuration in the configuration BB RR
o
X + X= X (Y; s + s)o ~
~ Fr
x + x = x (x+xn , t ; s + s)
^o o
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SENSITIVITY KINEMATIC PROBLEM
Continuum problem Differentiate Discretize
Design sensitivity of equilibrium equation
Calculate such that x = x (xr, t, β, ∆β )oo
Variational form -
FFrr and and xxoo o
λ and x o
Constitutive problem
Regularized contact problem
Kinematic problemSensitivity of ODF evolution
Pr and F,o
o o
Enormous degrees of freedom& number of PDEs to be solved
limits the scope of design
Computational issues
Microstructure-model reductionwithout significant loss of
accuracy
Possible Solution
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COMPLEXITY OF MULTILENGTH SCALE DESIGN
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INTRODUCE MICROSTRUCTURE-MODEL REDUCTION
Suppose we had a collection of data (from experiments or simulations) for the ODF:
such that it is optimal for the data represented as
Is it possible to identify a basis
POD technique – Proper Orthogonal
Decomposition
Solve the optimization problem
Method of snapshots
where
Eigenvalue problem
where
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REDUCED ORDER MODEL FOR THE ODF
( , )( , ) ( , ) ( , ) 0
A s tA s t v s t s t
t
The reduced basis for the ODF ensemble has been evaluated, say
Using this basis, ODF represented as follows
This representation of the ODF leads to a reduced-model in the form of an ODE.
Reduced model for the evolution of the ODF
where
Initial conditions
( ( , ) ( , ) )ij j i jR v s t s t d
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POLYCRYSTAL SENSITIVITY ANALYSIS
EVOLUTION EQUATION FOR THE SENSITIVITY OF THE ODF
Assumption: extended Taylor hypothesis for the continuum sensitivity Assumption: extended Taylor hypothesis for the continuum sensitivity analysis – analysis – i.e. we make no distinction between the sensitivity of the crystal velocity i.e. we make no distinction between the sensitivity of the crystal velocity gradient and gradient and the sensitivity of the macroscopic velocity gradient.the sensitivity of the macroscopic velocity gradient.
Sensitivity of reorientation velocity
Gradient of the sensitivity of the velocity
( , )( , ) ( , ) ( , ) ( , ) ( , ) 0
A s tA s t v s t A s t v s t s t
t
1 1( ) ( )
2 2v r r r r r I r
,
ii i kj kjj
vv v
r
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REDUCED ORDER MODEL FOR THE ODF SESNSITIVITY
The reduced basis for the ODF ensemble has been evaluated, say
Using this basis, ODF represented as follows
This representation of the ODF leads to a reduced-model in the form of an ODE.
Reduced model for the evolution of the ODF
where
Initial conditions
( ( , ) ( , ) )ij j i jG v s t s t d
( , )( , ) ( , ) ( , ) ( , ) ( , ) 0
A s tA s t v s t A s t v s t s t
t
o
b G b H
( ( , ) ( , ))i iH A s t v s t d
(0) ( ,0) ) 0i ib A s d
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IMPLEMENTATION OF REDUCED MODEL
-Regions suspected to come into contact (2 sets, before andafter coming into contact)
-Other part of the macro scale (1 set)
Time varying boundary conditions during the deformation
3 different set of Reduced order modes for the microstructure are constructed for different regions in the macro scale.
large number of reduced order modes
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IMPLEMENTATION OF REDUCED MODEL
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Validation of the reduced-order model: Sensitivity analysisValidation of the reduced-order model: Sensitivity analysis
The same set of regions are used for the sensitivity problem
FDM solution Full model
(Continuum sensitivity method)
Reduced model
ODF: 2 2.625 3.25 3.875 4.5
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DesignDesign
Objective function
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DesignDesign
First iteration of optimization Last iteration of optimization
Preform shape for the first iteration
Preform shape for the last iteration
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Distribution of texture for some points on macro Distribution of texture for some points on macro scalescale
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Conclusion (part 3)
A multi scale design methodology is applied for the problem of forging Ti alloy
- The goal has been to fill the die cavity and minimize the wastage of material
- Continuum sensitivity approach using extended Taylor hypothesis is used .
- Reduced order modeling is used to address the large amount of computational effort needed
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Future direction
Micro problem driven by the velocity gradient L
Macro problem driven by the macro-design
variable βBn+1
Ω = Ω (r, t; L)~Polycrystal
plasticityx = x(X, t; β)
L = L (X, t; β)
L = velocity gradient
Fn+1
B0
Reduced Order Modes
Data mining techniques
Multi-scale Computation
Design variables (β) are macrodesign variables Processing sequence/parameters
Design objectives are micro-scale
averaged material/processproperties
Database
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Future direction
In addition to preform shape , parameters like forging velocity and initial texture of the workpiece should be considered
Obtaining optimized distribution of macroscale properties like Young modulus , Yield strength, etc.
E
(with respect to design parameter )1
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Plan for future work
•Extend the design methodology for sequence of processes to multi-scale polycrystal plasticity
•Extend the graphically based selection of processes to mathematically rigorous method using nonlinear model reduction.
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Publication and presentations since Aug. 2006
•Journal:
•B. Kouchmeshky and N. Zabaras, "Modeling the response of HCP polycrystals deforming by slip and twinning using a finite element representation of the orientation space", Int. J. Plasticity, submitted.
•B. Kouchmeshky and N. Zabaras, "A designing approach with reduced computational effort for tailoring the processing parameters that lead to desired macro-scale properties in HCP polycrystals", in preparation.
•Conference:
•B. Kouchmeshky and N. Zabaras, "A microstructure-sensitive design approach for controlling properties of HCP materials", presented at the TMS Annual Meeting, New Orleans, Louisiana, March 9-13, 2008
•B. Kouchmeshky and N. Zabaras, "A simple non-hardening rate- independent constitutive model for HCP polycrystals deforming by slip and twinning", presented at the TMS Annual Meeting, New Orleans, Louisiana, March 9-13, 2008