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bugix: change of behavior

This commit is contained in:
Martin Diehl 2022-02-02 16:45:13 +00:00 committed by Philip Eisenlohr
parent 98381bff2a
commit d868a240b2
3 changed files with 20 additions and 31 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 5598ec4892b0921fccf63e8570f9fcd8e0365716
Subproject commit 419ba7b6f6989a14e0c91c1f1f6621daf8215b71

45
src/phase_mechanical_eigen_thermalexpansion.f90
View File

@ -8,10 +8,9 @@ submodule(phase:eigen) thermalexpansion
integer, dimension(:), allocatable :: kinematics_thermal_expansion_instance
type :: tParameters
real(pReal) :: &
T_ref
real(pReal), dimension(3,3,3) :: &
A = 0.0_pReal
type(tPolynomial) :: &
A_11, &
A_33
end type tParameters
type(tParameters), dimension(:), allocatable :: param
@ -34,7 +33,7 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
phase, &
mech, &
kinematics, &
kinematic_type
myConfig
print'(/,1x,a)', '<<<+- phase:mechanical:eigen:thermalexpansion init -+>>>'
@ -56,21 +55,13 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
do k = 1, kinematics%length
if (myKinematics(k,p)) then
associate(prm => param(kinematics_thermal_expansion_instance(p)))
kinematic_type => kinematics%get(k)
prm%T_ref = kinematic_type%get_asFloat('T_ref', defaultVal=T_ROOM)
myConfig => kinematics%get(k)
prm%A_11 = polynomial(myConfig%asDict(),'A_11','T')
if (any(phase_lattice(p) == ['hP','tI'])) &
prm%A_33 = polynomial(myConfig%asDict(),'A_33','T')
prm%A(1,1,1) = kinematic_type%get_asFloat('A_11')
prm%A(1,1,2) = kinematic_type%get_asFloat('A_11,T', defaultVal=0.0_pReal)
prm%A(1,1,3) = kinematic_type%get_asFloat('A_11,T^2',defaultVal=0.0_pReal)
if (any(phase_lattice(p) == ['hP','tI'])) then
prm%A(3,3,1) = kinematic_type%get_asFloat('A_33')
prm%A(3,3,2) = kinematic_type%get_asFloat('A_33,T', defaultVal=0.0_pReal)
prm%A(3,3,3) = kinematic_type%get_asFloat('A_33,T^2',defaultVal=0.0_pReal)
end if
do i=1, size(prm%A,3)
prm%A(1:3,1:3,i) = lattice_symmetrize_33(prm%A(1:3,1:3,i),phase_lattice(p))
end do
end associate
end if
end do
@ -91,22 +82,20 @@ module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
real(pReal) :: T, dot_T
real(pReal), dimension(3,3) :: A
T = thermal_T(ph,me)
dot_T = thermal_dot_T(ph,me)
associate(prm => param(kinematics_thermal_expansion_instance(ph)))
Li = dot_T * ( &
prm%A(1:3,1:3,1) & ! constant coefficient
+ prm%A(1:3,1:3,2)*(T - prm%T_ref) & ! linear coefficient
+ prm%A(1:3,1:3,3)*(T - prm%T_ref)**2 & ! quadratic coefficient
) / &
(1.0_pReal &
+ prm%A(1:3,1:3,1)*(T - prm%T_ref) / 1.0_pReal &
+ prm%A(1:3,1:3,2)*(T - prm%T_ref)**2 / 2.0_pReal &
+ prm%A(1:3,1:3,3)*(T - prm%T_ref)**3 / 3.0_pReal &
)
A = 0.0_pReal
A(1,1) = prm%A_11%at(T)
if (any(phase_lattice(ph) == ['hP','tI'])) A(3,3) = prm%A_33%at(T)
A = lattice_symmetrize_33(A,phase_lattice(ph))
Li = dot_T * A
end associate
dLi_dTstar = 0.0_pReal

4
src/phase_mechanical_elastic.f90
View File

@ -48,7 +48,7 @@ module subroutine elastic_init(phases)
prm%C_11 = polynomial(elastic%asDict(),'C_11','T')
prm%C_12 = polynomial(elastic%asDict(),'C_12','T')
prm%C_44 = polynomial(elastic%asDict(),'C_44','T')
if (any(phase_lattice(ph) == ['hP','tI'])) then
prm%C_13 = polynomial(elastic%asDict(),'C_13','T')
prm%C_33 = polynomial(elastic%asDict(),'C_33','T')
@ -77,7 +77,7 @@ pure module function elastic_C66(ph,en) result(C66)
associate(prm => param(ph))
C66 = 0.0_pReal
T = thermal_T(ph,en)