223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

works for elasticity only

This commit is contained in:
Martin Diehl 2020-03-16 14:58:42 +01:00
parent 8ae5814815
commit b19665f235
1 changed files with 80 additions and 81 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

161
src/constitutive_plastic_dislotwin.f90
View File

@ -14,33 +14,31 @@ submodule(constitutive) plastic_dislotwin
type :: tParameters type :: tParameters
real(pReal) :: & real(pReal) :: &
mu, & !< equivalent shear modulus mu = 1.0_pReal, & !< equivalent shear modulus
nu, & !< equivalent shear Poisson's ratio nu = 1.0_pReal, & !< equivalent shear Poisson's ratio
D0, & !< prefactor for self-diffusion coefficient D0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
Qsd, & !< activation energy for dislocation climb Qsd = 1.0_pReal, & !< activation energy for dislocation climb
omega, & !< frequency factor for dislocation climb omega = 1.0_pReal, & !< frequency factor for dislocation climb
D, & !< grain size D = 1.0_pReal, & !< grain size
p_sb, & !< p-exponent in shear band velocity p_sb = 1.0_pReal, & !< p-exponent in shear band velocity
q_sb, & !< q-exponent in shear band velocity q_sb = 1.0_pReal, & !< q-exponent in shear band velocity
CEdgeDipMinDistance, & !< CEdgeDipMinDistance = 1.0_pReal, & !<
i_tw, & !< i_tw = 1.0_pReal, & !<
tau_0, & !< strength due to elements in solid solution tau_0 = 1.0_pReal, & !< strength due to elements in solid solution
L_tw, & !< Length of twin nuclei in Burgers vectors L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors
L_tr, & !< Length of trans nuclei in Burgers vectors L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors
xc_twin, & !< critical distance for formation of twin nucleus xc_twin = 1.0_pReal, & !< critical distance for formation of twin nucleus
xc_trans, & !< critical distance for formation of trans nucleus xc_trans = 1.0_pReal, & !< critical distance for formation of trans nucleus
V_cs, & !< cross slip volume V_cs = 1.0_pReal, & !< cross slip volume
sbResistance, & !< value for shearband resistance sbResistance = 1.0_pReal, & !< value for shearband resistance
sbVelocity, & !< value for shearband velocity_0 sbVelocity = 1.0_pReal, & !< value for shearband velocity_0
E_sb, & !< activation energy for shear bands E_sb = 1.0_pReal, & !< activation energy for shear bands
SFE_0K, & !< stacking fault energy at zero K SFE_0K = 1.0_pReal, & !< stacking fault energy at zero K
dSFE_dT, & !< temperature dependence of stacking fault energy dSFE_dT = 1.0_pReal, & !< temperature dependence of stacking fault energy
gamma_fcc_hex, & !< Free energy difference between austensite and martensite gamma_fcc_hex = 1.0_pReal, & !< Free energy difference between austensite and martensite
i_tr, & !< i_tr = 1.0_pReal, & !<
h !< Stack height of hex nucleus h = 1.0_pReal !< Stack height of hex nucleus
real(pReal), allocatable, dimension(:) :: & real(pReal), allocatable, dimension(:) :: &
rho_mob_0, & !< initial unipolar dislocation density per slip system
rho_dip_0, & !< initial dipole dislocation density per slip system
b_sl, & !< absolute length of burgers vector [m] for each slip system b_sl, & !< absolute length of burgers vector [m] for each slip system
b_tw, & !< absolute length of burgers vector [m] for each twin system b_tw, & !< absolute length of burgers vector [m] for each twin system
b_tr, & !< absolute length of burgers vector [m] for each transformation system b_tr, & !< absolute length of burgers vector [m] for each transformation system
@ -132,8 +130,11 @@ module subroutine plastic_dislotwin_init
NipcMyPhase, & NipcMyPhase, &
sizeState, sizeDotState, & sizeState, sizeDotState, &
startIndex, endIndex startIndex, endIndex
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
N_sl, N_tw, N_tr N_sl, N_tw, N_tr
real(pReal), allocatable, dimension(:) :: &
rho_mob_0, & !< initial unipolar dislocation density per slip system
rho_dip_0 !< initial dipole dislocation density per slip system
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
@ -192,8 +193,8 @@ module subroutine plastic_dislotwin_init
.and. (N_sl(1) == 12) .and. (N_sl(1) == 12)
if(prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR if(prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(N_sl)) rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(N_sl))
prm%rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(N_sl)) rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(N_sl))
prm%v0 = config%getFloats('v0', requiredSize=size(N_sl)) prm%v0 = config%getFloats('v0', requiredSize=size(N_sl))
prm%b_sl = config%getFloats('slipburgers',requiredSize=size(N_sl)) prm%b_sl = config%getFloats('slipburgers',requiredSize=size(N_sl))
prm%Delta_F = config%getFloats('qedge', requiredSize=size(N_sl)) prm%Delta_F = config%getFloats('qedge', requiredSize=size(N_sl))
@ -213,14 +214,16 @@ module subroutine plastic_dislotwin_init
prm%dSFE_dT = config%getFloat('dsfe_dt') prm%dSFE_dT = config%getFloat('dsfe_dt')
endif endif
prm%dipoleformation = .not. config%keyExists('/nodipoleformation/')
! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex) ! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981 ! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) & prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) &
* merge(12.0_pReal,8.0_pReal,any(lattice_structure(p) == [lattice_FCC_ID,lattice_HEX_ID])) * merge(12.0_pReal,8.0_pReal,any(lattice_structure(p) == [lattice_FCC_ID,lattice_HEX_ID]))
! expand: family => system ! expand: family => system
prm%rho_mob_0 = math_expand(prm%rho_mob_0, N_sl) rho_mob_0 = math_expand(rho_mob_0, N_sl)
prm%rho_dip_0 = math_expand(prm%rho_dip_0, N_sl) rho_dip_0 = math_expand(rho_dip_0, N_sl)
prm%v0 = math_expand(prm%v0, N_sl) prm%v0 = math_expand(prm%v0, N_sl)
prm%b_sl = math_expand(prm%b_sl, N_sl) prm%b_sl = math_expand(prm%b_sl, N_sl)
prm%Delta_F = math_expand(prm%Delta_F, N_sl) prm%Delta_F = math_expand(prm%Delta_F, N_sl)
@ -232,8 +235,8 @@ module subroutine plastic_dislotwin_init
! sanity checks ! sanity checks
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D0' if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D0'
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Qsd' if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Qsd'
if (any(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0' if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0' if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0' if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl' if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%Delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' Delta_F' if (any(prm%Delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' Delta_F'
@ -241,18 +244,17 @@ module subroutine plastic_dislotwin_init
if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B' if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B'
if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p' if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p'
if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q' if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q'
else slipActive else slipActive
allocate(prm%rho_mob_0(0)) rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
allocate(prm%rho_dip_0(0)) allocate(prm%b_sl,prm%Delta_F,prm%v0,prm%CLambdaSlip,prm%p,prm%q,prm%B,source=emptyRealArray)
allocate(prm%b_sl(0)) allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0))
endif slipActive endif slipActive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! twin related parameters ! twin related parameters
N_tw = config%getInts('ntwin', defaultVal=emptyIntArray) N_tw = config%getInts('ntwin', defaultVal=emptyIntArray)
prm%sum_N_tw = sum(N_tw) prm%sum_N_tw = sum(N_tw)
if (prm%sum_N_tw > 0) then twinActive: if (prm%sum_N_tw > 0) then
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,config%getString('lattice_structure'),& prm%P_tw = lattice_SchmidMatrix_twin(N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,& prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,&
@ -293,19 +295,16 @@ module subroutine plastic_dislotwin_init
if (.not. prm%fccTwinTransNucleation) then if (.not. prm%fccTwinTransNucleation) then
if (any(prm%dot_N_0_tw < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tw' if (any(prm%dot_N_0_tw < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tw'
endif endif
else else twinActive
allocate(prm%gamma_char(0)) allocate(prm%gamma_char,prm%b_tw,prm%dot_N_0_tw,prm%t_tw,prm%r,source=emptyRealArray)
allocate(prm%t_tw (0)) allocate(prm%h_tw_tw(0,0))
allocate(prm%b_tw (0)) endif twinActive
allocate(prm%r (0))
allocate(prm%h_tw_tw (0,0))
endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! transformation related parameters ! transformation related parameters
N_tr = config%getInts('ntrans', defaultVal=emptyIntArray) N_tr = config%getInts('ntrans', defaultVal=emptyIntArray)
prm%sum_N_tr = sum(N_tr) prm%sum_N_tr = sum(N_tr)
if (prm%sum_N_tr > 0) then transActive: if (prm%sum_N_tr > 0) then
prm%b_tr = config%getFloats('transburgers') prm%b_tr = config%getFloats('transburgers')
prm%b_tr = math_expand(prm%b_tr,N_tr) prm%b_tr = math_expand(prm%b_tr,N_tr)
@ -346,32 +345,10 @@ module subroutine plastic_dislotwin_init
if (lattice_structure(p) /= lattice_FCC_ID) then if (lattice_structure(p) /= lattice_FCC_ID) then
if (any(prm%dot_N_0_tr < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tr' if (any(prm%dot_N_0_tr < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tr'
endif endif
else else transActive
allocate(prm%t_tr (0)) allocate(prm%s,prm%b_tr,prm%t_tr,prm%dot_N_0_tr,source=emptyRealArray)
allocate(prm%b_tr (0))
allocate(prm%s (0))
allocate(prm%h_tr_tr(0,0)) allocate(prm%h_tr_tr(0,0))
endif endif transActive
if (sum(N_tw) > 0 .or. prm%sum_N_tr > 0) then
prm%SFE_0K = config%getFloat('sfe_0k')
prm%dSFE_dT = config%getFloat('dsfe_dt')
prm%V_cs = config%getFloat('vcrossslip')
endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then
prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,N_tw,&
config%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. size(N_tw) /= 1) extmsg = trim(extmsg)//' interaction_sliptwin'
endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then
prm%h_sl_tr = lattice_interaction_SlipByTrans(N_sl,N_tr,&
config%getFloats('interaction_sliptrans'), &
config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. size(N_tr) /= 1) extmsg = trim(extmsg)//' interaction_sliptrans'
endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! shearband related parameters ! shearband related parameters
@ -389,8 +366,30 @@ module subroutine plastic_dislotwin_init
if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband' if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband'
endif endif
prm%D = config%getFloat('grainsize') !--------------------------------------------------------------------------------------------------
prm%dipoleformation = .not. config%keyExists('/nodipoleformation/') ! parameters required for several mechanisms and their interactions
if(prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) &
prm%D = config%getFloat('grainsize')
twinOrSlipActive: if (prm%sum_N_tw + prm%sum_N_tr > 0) then
prm%SFE_0K = config%getFloat('sfe_0k')
prm%dSFE_dT = config%getFloat('dsfe_dt')
prm%V_cs = config%getFloat('vcrossslip')
endif twinOrSlipActive
slipAndTwinActive: if (prm%sum_N_sl * prm%sum_N_tw > 0) then
prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,N_tw,&
config%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. size(N_tw) /= 1) extmsg = trim(extmsg)//' interaction_sliptwin'
endif slipAndTwinActive
slipAndTransActive: if (prm%sum_N_sl * prm%sum_N_tr > 0) then
prm%h_sl_tr = lattice_interaction_SlipByTrans(N_sl,N_tr,&
config%getFloats('interaction_sliptrans'), &
config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. size(N_tr) /= 1) extmsg = trim(extmsg)//' interaction_sliptrans'
endif slipAndTransActive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate state arrays ! allocate state arrays
@ -407,7 +406,7 @@ module subroutine plastic_dislotwin_init
startIndex = 1 startIndex = 1
endIndex = prm%sum_N_sl endIndex = prm%sum_N_sl
stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:) stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_mob= spread(prm%rho_mob_0,2,NipcMyPhase) stt%rho_mob= spread(rho_mob_0,2,NipcMyPhase)
dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:) dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal) plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho' if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
@ -415,7 +414,7 @@ module subroutine plastic_dislotwin_init
startIndex = endIndex + 1 startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl endIndex = endIndex + prm%sum_N_sl
stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:) stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_dip= spread(prm%rho_dip_0,2,NipcMyPhase) stt%rho_dip= spread(rho_dip_0,2,NipcMyPhase)
dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:) dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal) plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
@ -760,9 +759,9 @@ module subroutine plastic_dislotwin_dependentState(T,instance,of)
Gamma = prm%SFE_0K + prm%dSFE_dT * T Gamma = prm%SFE_0K + prm%dSFE_dT * T
!* rescaled volume fraction for topology !* rescaled volume fraction for topology
f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,of)/prm%t_tw ! this is per system ... f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,of)/prm%t_tw ! this is per system ...
f_over_t_tr = sumf_trans/prm%t_tr ! but this not f_over_t_tr = sumf_trans/prm%t_tr ! but this not
! ToDo ...Physically correct, but naming could be adjusted ! ToDo ...Physically correct, but naming could be adjusted
inv_lambda_sl_sl = sqrt(matmul(prm%forestProjection, & inv_lambda_sl_sl = sqrt(matmul(prm%forestProjection, &
stt%rho_mob(:,of)+stt%rho_dip(:,of)))/prm%CLambdaSlip stt%rho_mob(:,of)+stt%rho_dip(:,of)))/prm%CLambdaSlip
@ -777,7 +776,7 @@ module subroutine plastic_dislotwin_dependentState(T,instance,of)
inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_trans) inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: better logic needed here if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: better logic needed here
dst%Lambda_sl(:,of) = prm%D & dst%Lambda_sl(:,of) = prm%D &
/ (1.0_pReal+prm%D*(inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr)) / (1.0_pReal+prm%D*(inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr))
else else
@ -804,10 +803,10 @@ module subroutine plastic_dislotwin_dependentState(T,instance,of)
dst%V_tr(:,of) = (PI/4.0_pReal)*prm%t_tr*dst%Lambda_tr(:,of)**2.0_pReal dst%V_tr(:,of) = (PI/4.0_pReal)*prm%t_tr*dst%Lambda_tr(:,of)**2.0_pReal
x0 = prm%mu*prm%b_tw**2.0_pReal/(Gamma*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip and is the same for twin and trans x0 = prm%mu*prm%b_tw**2.0_pReal/(Gamma*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip and is the same for twin and trans
dst%tau_r_tw(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) dst%tau_r_tw(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0)
x0 = prm%mu*prm%b_tr**2.0_pReal/(Gamma*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip x0 = prm%mu*prm%b_tr**2.0_pReal/(Gamma*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip
dst%tau_r_tr(:,of) = prm%mu*prm%b_tr/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) dst%tau_r_tr(:,of) = prm%mu*prm%b_tr/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0)
end associate end associate