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* removed calculations for dipole formation/dissociation by stress change, since it is not used anyways; also removed associated constitutive outputs from material.config 

* removed input variables in constitutive_collectDotState and constitutive_postResults that are not needed anymore (because of recent changes in constitutive_nonlocal)
This commit is contained in:
Christoph Kords 2011-02-25 09:53:20 +00:00
parent cd5407b08b
commit ad4706673b
4 changed files with 50 additions and 205 deletions
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22
code/constitutive.f90
View File

@ -506,7 +506,7 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, ip
endsubroutine endsubroutine
subroutine constitutive_collectDotState(Tstar_v, subTstar0_v, Fe, Fp, Temperature, subdt, orientation, ipc, ip, el) subroutine constitutive_collectDotState(Tstar_v, Fe, Fp, Temperature, subdt, orientation, ipc, ip, el)
!********************************************************************* !*********************************************************************
!* This subroutine contains the constitutive equation for * !* This subroutine contains the constitutive equation for *
!* calculating the rate of change of microstructure * !* calculating the rate of change of microstructure *
@ -551,8 +551,7 @@ real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)
real(pReal), dimension(4,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: & real(pReal), dimension(4,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
orientation orientation
real(pReal), dimension(6), intent(in) :: & real(pReal), dimension(6), intent(in) :: &
Tstar_v, & Tstar_v
subTstar0_v
!*** local variables !*** local variables
integer(pLongInt) tick, tock, & integer(pLongInt) tick, tock, &
@ -576,9 +575,8 @@ select case (phase_constitution(material_phase(ipc,ip,el)))
constitutive_dotState(ipc,ip,el)%p = constitutive_dislotwin_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el) constitutive_dotState(ipc,ip,el)%p = constitutive_dislotwin_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el)
case (constitutive_nonlocal_label) case (constitutive_nonlocal_label)
call constitutive_nonlocal_dotState(constitutive_dotState, Tstar_v, subTstar0_v, Fe, Fp, Temperature, subdt, & call constitutive_nonlocal_dotState(constitutive_dotState, Tstar_v, Fe, Fp, Temperature, constitutive_state, &
constitutive_state, constitutive_subState0, constitutive_aTolState, subdt, & constitutive_aTolState, subdt, orientation, ipc, ip, el)
orientation, ipc, ip, el)
end select end select
@ -664,7 +662,7 @@ return
endfunction endfunction
function constitutive_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, misorientation, dt, subdt, ipc, ip, el) function constitutive_postResults(Tstar_v, Fe, Temperature, dt, ipc, ip, el)
!********************************************************************* !*********************************************************************
!* return array of constitutive results * !* return array of constitutive results *
!* INPUT: * !* INPUT: *
@ -690,10 +688,9 @@ function constitutive_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, mis
!* Definition of variables !* Definition of variables
integer(pInt), intent(in) :: ipc,ip,el integer(pInt), intent(in) :: ipc,ip,el
real(pReal), intent(in) :: dt, Temperature, subdt real(pReal), intent(in) :: dt, Temperature
real(pReal), dimension(6), intent(in) :: Tstar_v, subTstar0_v real(pReal), dimension(6), intent(in) :: Tstar_v
real(pReal), dimension(4,mesh_maxNipNeighbors), intent(in) :: misorientation real(pReal), dimension(3,3), intent(in) :: Fe
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: Fe, Fp
real(pReal), dimension(constitutive_sizePostResults(ipc,ip,el)) :: constitutive_postResults real(pReal), dimension(constitutive_sizePostResults(ipc,ip,el)) :: constitutive_postResults
constitutive_postResults = 0.0_pReal constitutive_postResults = 0.0_pReal
@ -712,8 +709,7 @@ function constitutive_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, mis
constitutive_postResults = constitutive_dislotwin_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el) constitutive_postResults = constitutive_dislotwin_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el)
case (constitutive_nonlocal_label) case (constitutive_nonlocal_label)
constitutive_postResults = constitutive_nonlocal_postResults(Tstar_v, subTstar0_v, Fe, Fp, Temperature, misorientation, & constitutive_postResults = constitutive_nonlocal_postResults(Tstar_v, Fe, Temperature, dt, constitutive_state, &
dt, subdt, constitutive_state, constitutive_subState0, &
constitutive_dotstate, ipc, ip, el) constitutive_dotstate, ipc, ip, el)
end select end select

177
code/constitutive_nonlocal.f90
View File

@ -531,7 +531,6 @@ do i = 1,maxNinstance
'rho_dot_gen_edge', & 'rho_dot_gen_edge', &
'rho_dot_gen_screw', & 'rho_dot_gen_screw', &
'rho_dot_sgl2dip', & 'rho_dot_sgl2dip', &
'rho_dot_dip2sgl', &
'rho_dot_ann_ath', & 'rho_dot_ann_ath', &
'rho_dot_ann_the', & 'rho_dot_ann_the', &
'rho_dot_flux', & 'rho_dot_flux', &
@ -551,9 +550,7 @@ do i = 1,maxNinstance
'fluxdensity_screw_neg_y', & 'fluxdensity_screw_neg_y', &
'fluxdensity_screw_neg_z', & 'fluxdensity_screw_neg_z', &
'd_upper_edge', & 'd_upper_edge', &
'd_upper_screw', & 'd_upper_screw' )
'd_upper_dot_edge', &
'd_upper_dot_screw' )
mySize = constitutive_nonlocal_totalNslip(i) mySize = constitutive_nonlocal_totalNslip(i)
case default case default
mySize = 0_pInt mySize = 0_pInt
@ -1291,8 +1288,7 @@ endsubroutine
!********************************************************************* !*********************************************************************
!* rate of change of microstructure * !* rate of change of microstructure *
!********************************************************************* !*********************************************************************
subroutine constitutive_nonlocal_dotState(dotState, Tstar_v, previousTstar_v, Fe, Fp, Temperature, dt_previous, & subroutine constitutive_nonlocal_dotState(dotState, Tstar_v, Fe, Fp, Temperature, state, aTolState, timestep, orientation, g,ip,el)
state, previousState, aTolState, timestep, orientation, g,ip,el)
use prec, only: pReal, & use prec, only: pReal, &
pInt, & pInt, &
@ -1348,10 +1344,8 @@ integer(pInt), intent(in) :: g, & ! current
ip, & ! current integration point ip, & ! current integration point
el ! current element number el ! current element number
real(pReal), intent(in) :: Temperature, & ! temperature real(pReal), intent(in) :: Temperature, & ! temperature
timestep, & ! substepped crystallite time increment timestep ! substepped crystallite time increment
dt_previous ! time increment between previous and current state real(pReal), dimension(6), intent(in) :: Tstar_v ! current 2nd Piola-Kirchhoff stress in Mandel notation
real(pReal), dimension(6), intent(in) :: Tstar_v, & ! current 2nd Piola-Kirchhoff stress in Mandel notation
previousTstar_v ! previous 2nd Piola-Kirchhoff stress in Mandel notation
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: & real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
Fe, & ! elastic deformation gradient Fe, & ! elastic deformation gradient
Fp ! plastic deformation gradient Fp ! plastic deformation gradient
@ -1359,7 +1353,6 @@ real(pReal), dimension(4,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),
orientation ! crystal lattice orientation orientation ! crystal lattice orientation
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: & type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state, & ! current microstructural state state, & ! current microstructural state
previousState, & ! previous microstructural state
aTolState ! absolute state tolerance aTolState ! absolute state tolerance
!*** input/output variables !*** input/output variables
@ -1393,12 +1386,9 @@ real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstan
neighboring_rhoDotFlux, & ! density evolution by flux at neighbor neighboring_rhoDotFlux, & ! density evolution by flux at neighbor
rhoDotSingle2DipoleGlide, & ! density evolution by dipole formation (by glide) rhoDotSingle2DipoleGlide, & ! density evolution by dipole formation (by glide)
rhoDotAthermalAnnihilation, & ! density evolution by athermal annihilation rhoDotAthermalAnnihilation, & ! density evolution by athermal annihilation
rhoDotThermalAnnihilation, & ! density evolution by thermal annihilation rhoDotThermalAnnihilation ! density evolution by thermal annihilation
rhoDotDipole2SingleStressChange, & ! density evolution by dipole dissociation (by stress increase)
rhoDotSingle2DipoleStressChange ! density evolution by dipole formation (by stress decrease)
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: & real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: &
rhoSgl, & ! current single dislocation densities (positive/negative screw and edge without dipoles) rhoSgl ! current single dislocation densities (positive/negative screw and edge without dipoles)
previousRhoSgl ! previous single dislocation densities (positive/negative screw and edge without dipoles)
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: & real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
fluxdensity, & ! flux density at central material point fluxdensity, & ! flux density at central material point
neighboring_fluxdensity, & ! flux density at neighboring material point neighboring_fluxdensity, & ! flux density at neighboring material point
@ -1407,16 +1397,12 @@ real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstan
rhoForest, & ! forest dislocation density rhoForest, & ! forest dislocation density
tauThreshold, & ! threshold shear stress tauThreshold, & ! threshold shear stress
tau, & ! current resolved shear stress tau, & ! current resolved shear stress
previousTau, & ! previous resolved shear stress
invLambda, & ! inverse of mean free path for dislocations invLambda, & ! inverse of mean free path for dislocations
vClimb ! climb velocity of edge dipoles vClimb ! climb velocity of edge dipoles
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: & real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: &
rhoDip, & ! current dipole dislocation densities (screw and edge dipoles) rhoDip, & ! current dipole dislocation densities (screw and edge dipoles)
previousRhoDip, & ! previous dipole dislocation densities (screw and edge dipoles)
dLower, & ! minimum stable dipole distance for edges and screws dLower, & ! minimum stable dipole distance for edges and screws
dUpper, & ! current maximum stable dipole distance for edges and screws dUpper ! current maximum stable dipole distance for edges and screws
previousDUpper, & ! previous maximum stable dipole distance for edges and screws
dUpperDot ! rate of change of the maximum stable dipole distance for edges and screws
real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: & real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
m ! direction of dislocation motion m ! direction of dislocation motion
real(pReal), dimension(3,3) :: my_F, & ! my total deformation gradient real(pReal), dimension(3,3) :: my_F, & ! my total deformation gradient
@ -1424,8 +1410,7 @@ real(pReal), dimension(3,3) :: my_F, & ! my t
my_Fe, & ! my elastic deformation gradient my_Fe, & ! my elastic deformation gradient
neighboring_Fe, & ! elastic deformation gradient of my neighbor neighboring_Fe, & ! elastic deformation gradient of my neighbor
Favg ! average total deformation gradient of me and my neighbor Favg ! average total deformation gradient of me and my neighbor
real(pReal), dimension(6) :: Tdislocation_v, & ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress real(pReal), dimension(6) :: Tdislocation_v ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
previousTdislocation_v ! previous dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
real(pReal), dimension(3) :: normal_neighbor2me, & ! interface normal pointing from my neighbor to me in neighbor's lattice configuration real(pReal), dimension(3) :: normal_neighbor2me, & ! interface normal pointing from my neighbor to me in neighbor's lattice configuration
normal_neighbor2me_defConf, & ! interface normal pointing from my neighbor to me in shared deformed configuration normal_neighbor2me_defConf, & ! interface normal pointing from my neighbor to me in shared deformed configuration
normal_me2neighbor, & ! interface normal pointing from me to my neighbor in my lattice configuration normal_me2neighbor, & ! interface normal pointing from me to my neighbor in my lattice configuration
@ -1459,23 +1444,17 @@ myStructure = constitutive_nonlocal_structure(myInstance)
ns = constitutive_nonlocal_totalNslip(myInstance) ns = constitutive_nonlocal_totalNslip(myInstance)
tau = 0.0_pReal tau = 0.0_pReal
previousTau = 0.0_pReal
gdot = 0.0_pReal gdot = 0.0_pReal
dLower = 0.0_pReal dLower = 0.0_pReal
dUpper = 0.0_pReal dUpper = 0.0_pReal
previousDUpper = 0.0_pReal
dUpperDot = 0.0_pReal
!*** shortcut to state variables !*** shortcut to state variables
forall (t = 1:8) rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns) forall (t = 1:8) rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
forall (t = 1:8) previousRhoSgl(1:ns,t) = previousState(g,ip,el)%p((t-1)*ns+1:t*ns)
forall (c = 1:2) rhoDip(1:ns,c) = state(g,ip,el)%p((7+c)*ns+1:(8+c)*ns) forall (c = 1:2) rhoDip(1:ns,c) = state(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
forall (c = 1:2) previousRhoDip(1:ns,c) = previousState(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
rhoForest = state(g,ip,el)%p(10*ns+1:11*ns) rhoForest = state(g,ip,el)%p(10*ns+1:11*ns)
tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns) tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns)
Tdislocation_v = state(g,ip,el)%p(12*ns+1:12*ns+6) Tdislocation_v = state(g,ip,el)%p(12*ns+1:12*ns+6)
previousTdislocation_v = previousState(g,ip,el)%p(12*ns+1:12*ns+6)
!*** sanity check for timestep !*** sanity check for timestep
@ -1507,14 +1486,11 @@ endif
!**************************************************************************** !****************************************************************************
!*** calculate limits for stable dipole height and its rate of change !*** calculate limits for stable dipole height
do s = 1,ns ! loop over slip systems do s = 1,ns ! loop over slip systems
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance) sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
tau(s) = math_mul6x6( Tstar_v + Tdislocation_v, lattice_Sslip_v(1:6,sLattice,myStructure) ) tau(s) = math_mul6x6( Tstar_v + Tdislocation_v, lattice_Sslip_v(1:6,sLattice,myStructure) )
previousTau(s) = math_mul6x6( previousTstar_v + previousTdislocation_v, lattice_Sslip_v(1:6,sLattice,myStructure) )
enddo enddo
dLower(1:ns,1) = constitutive_nonlocal_dLowerEdgePerSlipSystem(1:ns,myInstance) dLower(1:ns,1) = constitutive_nonlocal_dLowerEdgePerSlipSystem(1:ns,myInstance)
@ -1523,12 +1499,6 @@ dUpper(1:ns,2) = min( 1.0_pReal / sqrt( sum(abs(rhoSgl),2)+sum(rhoDip,2) ), &
constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) & constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) &
/ ( 8.0_pReal * pi * abs(tau) ) ) / ( 8.0_pReal * pi * abs(tau) ) )
dUpper(1:ns,1) = dUpper(1:ns,2) / ( 1.0_pReal - constitutive_nonlocal_nu(myInstance) ) dUpper(1:ns,1) = dUpper(1:ns,2) / ( 1.0_pReal - constitutive_nonlocal_nu(myInstance) )
previousDUpper(1:ns,2) = min( 1.0_pReal / sqrt( sum(abs(previousRhoSgl),2) + sum(previousRhoDip,2) ), &
constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) &
/ ( 8.0_pReal * pi * abs(previousTau) ) )
previousDUpper(1:ns,1) = previousDUpper(1:ns,2) / ( 1.0_pReal - constitutive_nonlocal_nu(myInstance) )
if (dt_previous > 0.0_pReal) dUpperDot = (dUpper - previousDUpper) / dt_previous
!**************************************************************************** !****************************************************************************
@ -1743,39 +1713,6 @@ rhoDotThermalAnnihilation(1:ns,9) = - 4.0_pReal * rhoDip(1:ns,1) * vClimb / (dUp
rhoDotThermalAnnihilation(1:ns,10) = 0.0_pReal !!! cross slipping still has to be implemented !!! rhoDotThermalAnnihilation(1:ns,10) = 0.0_pReal !!! cross slipping still has to be implemented !!!
!*** formation/dissociation by stress change = alteration in dUpper
rhoDotDipole2SingleStressChange = 0.0_pReal
forall (c=1:2, s=1:ns, dUpperDot(s,c) < 0.0_pReal) & ! increased stress => dipole dissociation
rhoDotDipole2SingleStressChange(s,8+c) = rhoDip(s,c) * dUpperDot(s,c) / (previousDUpper(s,c) - dLower(s,c))
forall (t=1:4) &
rhoDotDipole2SingleStressChange(1:ns,t) = -0.5_pReal * rhoDotDipole2SingleStressChange(1:ns,(t-1)/2+9)
rhoDotSingle2DipoleStressChange = 0.0_pReal
do c = 1,2
do s = 1,ns
if (dUpperDot(s,c) > 0.0_pReal) then ! stress decrease => dipole formation
rhoDotSingle2DipoleStressChange(s,2*(c-1)+1) = -4.0_pReal * dUpperDot(s,c) * previousDUpper(s,c) * rhoSgl(s,2*(c-1)+1) &
* ( rhoSgl(s,2*(c-1)+2) + abs(rhoSgl(s,2*(c-1)+6)) )
rhoDotSingle2DipoleStressChange(s,2*(c-1)+2) = -4.0_pReal * dUpperDot(s,c) * previousDUpper(s,c) * rhoSgl(s,2*(c-1)+2) &
* ( rhoSgl(s,2*(c-1)+1) + abs(rhoSgl(s,2*(c-1)+5)) )
rhoDotSingle2DipoleStressChange(s,2*(c-1)+5) = -4.0_pReal * dUpperDot(s,c) * previousDUpper(s,c) * rhoSgl(s,2*(c-1)+5) &
* ( rhoSgl(s,2*(c-1)+2) + abs(rhoSgl(s,2*(c-1)+6)) )
rhoDotSingle2DipoleStressChange(s,2*(c-1)+6) = -4.0_pReal * dUpperDot(s,c) * previousDUpper(s,c) * rhoSgl(s,2*(c-1)+6) &
* ( rhoSgl(s,2*(c-1)+1) + abs(rhoSgl(s,2*(c-1)+5)) )
endif
enddo
enddo
forall (c = 1:2) &
rhoDotSingle2DipoleStressChange(1:ns,8+c) = abs(rhoDotSingle2DipoleStressChange(1:ns,2*(c-1)+1)) &
+ abs(rhoDotSingle2DipoleStressChange(1:ns,2*(c-1)+2)) &
+ abs(rhoDotSingle2DipoleStressChange(1:ns,2*(c-1)+5)) &
+ abs(rhoDotSingle2DipoleStressChange(1:ns,2*(c-1)+6))
!**************************************************************************** !****************************************************************************
!*** assign the rates of dislocation densities to my dotState !*** assign the rates of dislocation densities to my dotState
@ -1787,8 +1724,6 @@ forall (t = 1:10) &
+ rhoDotSingle2DipoleGlide(1:ns,t) & + rhoDotSingle2DipoleGlide(1:ns,t) &
+ rhoDotAthermalAnnihilation(1:ns,t) & + rhoDotAthermalAnnihilation(1:ns,t) &
+ rhoDotThermalAnnihilation(1:ns,t) + rhoDotThermalAnnihilation(1:ns,t)
! + rhoDotDipole2SingleStressChange(1:ns,t)
! + rhoDotSingle2DipoleStressChange(1:ns,t)
if (verboseDebugger .and. (debug_g==g .and. debug_i==ip .and. debug_e==el)) then if (verboseDebugger .and. (debug_g==g .and. debug_i==ip .and. debug_e==el)) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
@ -1798,8 +1733,6 @@ if (verboseDebugger .and. (debug_g==g .and. debug_i==ip .and. debug_e==el)) then
write(6,'(a,/,10(12(e12.5,x),/))') 'dipole formation by glide', rhoDotSingle2DipoleGlide * timestep write(6,'(a,/,10(12(e12.5,x),/))') 'dipole formation by glide', rhoDotSingle2DipoleGlide * timestep
write(6,'(a,/,2(12(e12.5,x),/))') 'athermal dipole annihilation', rhoDotAthermalAnnihilation(1:ns,1:2) * timestep write(6,'(a,/,2(12(e12.5,x),/))') 'athermal dipole annihilation', rhoDotAthermalAnnihilation(1:ns,1:2) * timestep
write(6,'(a,/,2(12(e12.5,x),/))') 'thermally activated dipole annihilation', rhoDotThermalAnnihilation(1:ns,9:10) * timestep write(6,'(a,/,2(12(e12.5,x),/))') 'thermally activated dipole annihilation', rhoDotThermalAnnihilation(1:ns,9:10) * timestep
! write(6,'(a,/,10(12(e12.5,x),/))') 'dipole dissociation by stress increase', rhoDotDipole2SingleStressChange * timestep
! write(6,'(a,/,10(12(e12.5,x),/))') 'dipole formation by stress decrease', rhoDotSingle2DipoleStressChange * timestep
write(6,'(a,/,10(12(e12.5,x),/))') 'total density change', rhoDot * timestep write(6,'(a,/,10(12(e12.5,x),/))') 'total density change', rhoDot * timestep
write(6,'(a,/,10(12(f12.7,x),/))') 'relative density change', rhoDot(1:ns,1:8) * timestep / (abs(rhoSgl)+1.0e-10), & write(6,'(a,/,10(12(f12.7,x),/))') 'relative density change', rhoDot(1:ns,1:8) * timestep / (abs(rhoSgl)+1.0e-10), &
rhoDot(1:ns,9:10) * timestep / (rhoDip+1.0e-10) rhoDot(1:ns,9:10) * timestep / (rhoDip+1.0e-10)
@ -2015,8 +1948,7 @@ endfunction
!********************************************************************* !*********************************************************************
!* return array of constitutive results * !* return array of constitutive results *
!********************************************************************* !*********************************************************************
function constitutive_nonlocal_postResults(Tstar_v, previousTstar_v, Fe, Fp, Temperature, disorientation, dt, dt_previous, & function constitutive_nonlocal_postResults(Tstar_v, Fe, Temperature, dt, state, dotState, g,ip,el)
state, previousState, dotState, g,ip,el)
use prec, only: pReal, & use prec, only: pReal, &
pInt, & pInt, &
@ -2032,13 +1964,7 @@ use math, only: math_norm3, &
pi pi
use mesh, only: mesh_NcpElems, & use mesh, only: mesh_NcpElems, &
mesh_maxNips, & mesh_maxNips, &
mesh_maxNipNeighbors, & mesh_element
mesh_element, &
FE_NipNeighbors, &
mesh_ipNeighborhood, &
mesh_ipVolume, &
mesh_ipArea, &
mesh_ipAreaNormal
use material, only: homogenization_maxNgrains, & use material, only: homogenization_maxNgrains, &
material_phase, & material_phase, &
phase_constitutionInstance, & phase_constitutionInstance, &
@ -2046,7 +1972,6 @@ use material, only: homogenization_maxNgrains, &
use lattice, only: lattice_Sslip, & use lattice, only: lattice_Sslip, &
lattice_Sslip_v, & lattice_Sslip_v, &
lattice_sd, & lattice_sd, &
lattice_sn, &
lattice_st, & lattice_st, &
lattice_maxNslipFamily, & lattice_maxNslipFamily, &
lattice_NslipSystem lattice_NslipSystem
@ -2057,18 +1982,11 @@ integer(pInt), intent(in) :: g, & ! current
ip, & ! current integration point ip, & ! current integration point
el ! current element number el ! current element number
real(pReal), intent(in) :: Temperature, & ! temperature real(pReal), intent(in) :: Temperature, & ! temperature
dt, & ! time increment dt ! time increment
dt_previous ! time increment between previous and current state real(pReal), dimension(6), intent(in) :: Tstar_v ! current 2nd Piola-Kirchhoff stress in Mandel notation
real(pReal), dimension(6), intent(in) :: Tstar_v, & ! current 2nd Piola-Kirchhoff stress in Mandel notation real(pReal), dimension(3,3), intent(in) :: Fe ! elastic deformation gradient
previousTstar_v ! previous 2nd Piola-Kirchhoff stress in Mandel notation
real(pReal), dimension(4,mesh_maxNipNeighbors), intent(in) :: &
disorientation ! crystal disorientation between me and my neighbor (axis, angle pair)
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
Fe, & ! elastic deformation gradient
Fp ! plastic deformation gradient
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: & type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state, & ! current microstructural state state, & ! current microstructural state
previousState, & ! previous microstructural state
dotState ! evolution rate of microstructural state dotState ! evolution rate of microstructural state
!*** output variables !*** output variables
@ -2079,52 +1997,32 @@ real(pReal), dimension(constitutive_nonlocal_sizePostResults(phase_constitutionI
integer(pInt) myInstance, & ! current instance of this constitution integer(pInt) myInstance, & ! current instance of this constitution
myStructure, & ! current lattice structure myStructure, & ! current lattice structure
ns, & ! short notation for the total number of active slip systems ns, & ! short notation for the total number of active slip systems
neighboring_el, & ! element number of my neighbor
neighboring_ip, & ! integration point of my neighbor
c, & ! character of dislocation c, & ! character of dislocation
cs, & ! constitutive result index cs, & ! constitutive result index
n, & ! index of my current neighbor
o, & ! index of current output o, & ! index of current output
t, & ! type of dislocation t, & ! type of dislocation
s, & ! index of my current slip system s, & ! index of my current slip system
sLattice ! index of my current slip system according to lattice order sLattice ! index of my current slip system according to lattice order
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),6,4) :: &
fluxes ! outgoing fluxes per slipsystem, neighbor and dislocation type
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: & real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),8) :: &
rhoSgl, & ! current single dislocation densities (positive/negative screw and edge without dipoles) rhoSgl, & ! current single dislocation densities (positive/negative screw and edge without dipoles)
previousRhoSgl, & ! previous single dislocation densities (positive/negative screw and edge without dipoles)
rhoDotSgl ! evolution rate of single dislocation densities (positive/negative screw and edge without dipoles) rhoDotSgl ! evolution rate of single dislocation densities (positive/negative screw and edge without dipoles)
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: & real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
gdot, & ! shear rates gdot ! shear rates
lineLength ! dislocation line length leaving the current interface
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: & real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
rhoForest, & ! forest dislocation density rhoForest, & ! forest dislocation density
tauThreshold, & ! threshold shear stress tauThreshold, & ! threshold shear stress
tau, & ! current resolved shear stress tau, & ! current resolved shear stress
previousTau, & ! previous resolved shear stress
invLambda, & ! inverse of mean free path for dislocations
vClimb ! climb velocity of edge dipoles vClimb ! climb velocity of edge dipoles
real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: & real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: &
rhoDip, & ! current dipole dislocation densities (screw and edge dipoles) rhoDip, & ! current dipole dislocation densities (screw and edge dipoles)
previousRhoDip, & ! previous dipole dislocation densities (screw and edge dipoles)
rhoDotDip, & ! evolution rate of dipole dislocation densities (screw and edge dipoles) rhoDotDip, & ! evolution rate of dipole dislocation densities (screw and edge dipoles)
dLower, & ! minimum stable dipole distance for edges and screws dLower, & ! minimum stable dipole distance for edges and screws
dUpper, & ! current maximum stable dipole distance for edges and screws dUpper ! current maximum stable dipole distance for edges and screws
previousDUpper, & ! previous maximum stable dipole distance for edges and screws
dUpperDot ! rate of change of the maximum stable dipole distance for edges and screws
real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: & real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: &
m, & ! direction of dislocation motion for edge and screw (unit vector) m, & ! direction of dislocation motion for edge and screw (unit vector)
m_currentconf ! direction of dislocation motion for edge and screw (unit vector) in current configuration m_currentconf ! direction of dislocation motion for edge and screw (unit vector) in current configuration
real(pReal), dimension(3,3) :: F, & ! total deformation gradient real(pReal), dimension(6) :: Tdislocation_v ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
neighboring_F, & ! total deformation gradient of my neighbor real(pReal) D ! self diffusion
Favg ! average total deformation gradient of me and my neighbor
real(pReal), dimension(6) :: Tdislocation_v, & ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
previousTdislocation_v ! previous dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
real(pReal), dimension(3) :: surfaceNormal, & ! surface normal in lattice configuration
surfaceNormal_currentconf ! surface normal in current configuration
real(pReal) area, & ! area of the current interface
detFe, & ! determinant of elastic defornmation gradient
D ! self diffusion
myInstance = phase_constitutionInstance(material_phase(g,ip,el)) myInstance = phase_constitutionInstance(material_phase(g,ip,el))
@ -2138,13 +2036,10 @@ constitutive_nonlocal_postResults = 0.0_pReal
!* short hand notations for state variables !* short hand notations for state variables
forall (t = 1:8) rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns) forall (t = 1:8) rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns)
forall (t = 1:8) previousRhoSgl(1:ns,t) = previousState(g,ip,el)%p((t-1)*ns+1:t*ns)
forall (c = 1:2) rhoDip(1:ns,c) = state(g,ip,el)%p((7+c)*ns+1:(8+c)*ns) forall (c = 1:2) rhoDip(1:ns,c) = state(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
forall (c = 1:2) previousRhoDip(1:ns,c) = previousState(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
rhoForest = state(g,ip,el)%p(10*ns+1:11*ns) rhoForest = state(g,ip,el)%p(10*ns+1:11*ns)
tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns) tauThreshold = state(g,ip,el)%p(11*ns+1:12*ns)
Tdislocation_v = state(g,ip,el)%p(12*ns+1:12*ns+6) Tdislocation_v = state(g,ip,el)%p(12*ns+1:12*ns+6)
previousTdislocation_v = previousState(g,ip,el)%p(12*ns+1:12*ns+6)
forall (t = 1:8) rhoDotSgl(1:ns,t) = dotState(g,ip,el)%p((t-1)*ns+1:t*ns) forall (t = 1:8) rhoDotSgl(1:ns,t) = dotState(g,ip,el)%p((t-1)*ns+1:t*ns)
forall (c = 1:2) rhoDotDip(1:ns,c) = dotState(g,ip,el)%p((7+c)*ns+1:(8+c)*ns) forall (c = 1:2) rhoDotDip(1:ns,c) = dotState(g,ip,el)%p((7+c)*ns+1:(8+c)*ns)
@ -2166,12 +2061,11 @@ forall (t = 1:4) &
gdot(1:ns,t) = rhoSgl(1:ns,t) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) & gdot(1:ns,t) = rhoSgl(1:ns,t) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) &
* constitutive_nonlocal_v(1:ns,t,g,ip,el) * constitutive_nonlocal_v(1:ns,t,g,ip,el)
!* calculate limits for stable dipole height and its rate of change !* calculate limits for stable dipole height
do s = 1,ns do s = 1,ns
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance) sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
tau(s) = math_mul6x6( Tstar_v + Tdislocation_v, lattice_Sslip_v(1:6,sLattice,myStructure) ) tau(s) = math_mul6x6( Tstar_v + Tdislocation_v, lattice_Sslip_v(1:6,sLattice,myStructure) )
previousTau(s) = math_mul6x6( previousTstar_v + previousTdislocation_v, lattice_Sslip_v(1:6,sLattice,myStructure) )
enddo enddo
dLower(1:ns,1) = constitutive_nonlocal_dLowerEdgePerSlipSystem(1:ns,myInstance) dLower(1:ns,1) = constitutive_nonlocal_dLowerEdgePerSlipSystem(1:ns,myInstance)
@ -2180,16 +2074,6 @@ dUpper(1:ns,2) = min( constitutive_nonlocal_Gmod(myInstance) * constitutive_nonl
/ (8.0_pReal * pi * abs(tau)), & / (8.0_pReal * pi * abs(tau)), &
1.0_pReal / sqrt(sum(abs(rhoSgl),2)+sum(rhoDip,2)) ) 1.0_pReal / sqrt(sum(abs(rhoSgl),2)+sum(rhoDip,2)) )
dUpper(1:ns,1) = dUpper(1:ns,2) / (1.0_pReal - constitutive_nonlocal_nu(myInstance)) dUpper(1:ns,1) = dUpper(1:ns,2) / (1.0_pReal - constitutive_nonlocal_nu(myInstance))
previousDUpper(1:ns,2) = min( constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) &
/ (8.0_pReal * pi * abs(previousTau)), &
1.0_pReal / sqrt(sum(abs(previousRhoSgl),2) + sum(previousRhoDip,2)) )
previousDUpper(1:ns,1) = previousDUpper(1:ns,2) / (1.0_pReal - constitutive_nonlocal_nu(myInstance))
if (dt_previous > 0.0_pReal) then
dUpperDot = (dUpper - previousDUpper) / dt_previous
else
dUpperDot = 0.0_pReal
endif
!*** dislocation motion !*** dislocation motion
@ -2197,7 +2081,7 @@ endif
m(1:3,1:ns,1) = lattice_sd(1:3,constitutive_nonlocal_slipSystemLattice(1:ns,myInstance),myStructure) m(1:3,1:ns,1) = lattice_sd(1:3,constitutive_nonlocal_slipSystemLattice(1:ns,myInstance),myStructure)
m(1:3,1:ns,2) = -lattice_st(1:3,constitutive_nonlocal_slipSystemLattice(1:ns,myInstance),myStructure) m(1:3,1:ns,2) = -lattice_st(1:3,constitutive_nonlocal_slipSystemLattice(1:ns,myInstance),myStructure)
forall (c = 1:2, s = 1:ns) & forall (c = 1:2, s = 1:ns) &
m_currentconf(1:3,s,c) = math_mul33x3(Fe(1:3,1:3,g,ip,el), m(1:3,s,c)) m_currentconf(1:3,s,c) = math_mul33x3(Fe, m(1:3,s,c))
do o = 1,phase_Noutput(material_phase(g,ip,el)) do o = 1,phase_Noutput(material_phase(g,ip,el))
@ -2412,19 +2296,6 @@ do o = 1,phase_Noutput(material_phase(g,ip,el))
+ 2.0_pReal * ( abs(rhoSgl(1:ns,2*c+3)) * abs(gdot(1:ns,2*c)) & + 2.0_pReal * ( abs(rhoSgl(1:ns,2*c+3)) * abs(gdot(1:ns,2*c)) &
+ abs(rhoSgl(1:ns,2*c+4)) * abs(gdot(1:ns,2*c-1)))) ! was single hitting immobile/used single + abs(rhoSgl(1:ns,2*c+4)) * abs(gdot(1:ns,2*c-1)))) ! was single hitting immobile/used single
enddo enddo
! do c=1,2
! forall (s=1:ns, dUpperDot(s,c) > 0.0_pReal) & ! dipole formation by stress decrease
! constitutive_nonlocal_postResults(cs+s) = constitutive_nonlocal_postResults(cs+s) + &
! 8.0_pReal * rhoSgl(s,2*c-1) * rhoSgl(s,2*c) * previousDUpper(s,c) * dUpperDot(s,c)
! enddo
cs = cs + ns
case ('rho_dot_dip2sgl')
do c=1,2
forall (s=1:ns, dUpperDot(s,c) < 0.0_pReal) &
constitutive_nonlocal_postResults(cs+s) = constitutive_nonlocal_postResults(cs+s) - &
rhoDip(s,c) * dUpperDot(s,c) / (previousDUpper(s,c) - dLower(s,c))
enddo
cs = cs + ns cs = cs + ns
case ('rho_dot_ann_ath') case ('rho_dot_ann_ath')
@ -2537,14 +2408,6 @@ do o = 1,phase_Noutput(material_phase(g,ip,el))
constitutive_nonlocal_postResults(cs+1:cs+ns) = dUpper(1:ns,2) constitutive_nonlocal_postResults(cs+1:cs+ns) = dUpper(1:ns,2)
cs = cs + ns cs = cs + ns
case ('d_upper_dot_edge')
constitutive_nonlocal_postResults(cs+1:cs+ns) = dUpperDot(1:ns,1)
cs = cs + ns
case ('d_upper_dot_screw')
constitutive_nonlocal_postResults(cs+1:cs+ns) = dUpperDot(1:ns,2)
cs = cs + ns
end select end select
enddo enddo

49
code/crystallite.f90
View File

@ -896,9 +896,8 @@ RK4dotTemperature = 0.0_pReal
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
constitutive_RK4dotState(g,i,e)%p = 0.0_pReal ! initialize Runge-Kutta dotState constitutive_RK4dotState(g,i,e)%p = 0.0_pReal ! initialize Runge-Kutta dotState
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
crystallite_orientation, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), & crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e) crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
@ -997,9 +996,8 @@ do n = 1,4
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), & crystallite_Temperature(g,i,e), timeStepFraction(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
timeStepFraction(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
crystallite_orientation, g,i,e) crystallite_orientation, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), & crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e) crystallite_Temperature(g,i,e),g,i,e)
@ -1196,9 +1194,8 @@ endif
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
crystallite_orientation, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), & crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e) crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
@ -1286,9 +1283,8 @@ do n = 1,5
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Fe, crystallite_Fp, crystallite_Temperature(g,i,e), & crystallite_Temperature(g,i,e), c(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
c(n)*crystallite_subdt(g,i,e), & ! fraction of original timestep
crystallite_orientation, g,i,e) crystallite_orientation, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), & crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e) crystallite_Temperature(g,i,e),g,i,e)
@ -1543,9 +1539,8 @@ stateResiduum = 0.0_pReal
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
crystallite_orientation, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), & crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e) crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
@ -1617,9 +1612,8 @@ stateResiduum = 0.0_pReal
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
crystallite_orientation, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), & crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e) crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
@ -1800,9 +1794,8 @@ endif
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
crystallite_orientation, g,i,e)
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), & crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(:,g,i,e), &
crystallite_Temperature(g,i,e),g,i,e) crystallite_Temperature(g,i,e),g,i,e)
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
@ -1989,9 +1982,8 @@ endif
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_subTstar0_v(1:6,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
crystallite_orientation, g, i, e)
endif endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMP ENDDO !$OMP ENDDO
@ -2073,9 +2065,8 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
!$OMP DO !$OMP DO
do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains do e=eIter(1),eIter(2); do i=iIter(1,e),iIter(2,e); do g=gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then if (crystallite_todo(g,i,e)) then
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_subTstar0_v(1:6,g,i,e), crystallite_Fe, & call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &
crystallite_Fp, crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), & crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
crystallite_orientation, g, i, e)
endif endif
enddo; enddo; enddo enddo; enddo; enddo
!$OMP ENDDO !$OMP ENDDO
@ -2911,9 +2902,7 @@ function crystallite_postResults(&
crystallite_postResults(c+1) = constitutive_sizePostResults(g,i,e); c = c+1_pInt ! size of constitutive results crystallite_postResults(c+1) = constitutive_sizePostResults(g,i,e); c = c+1_pInt ! size of constitutive results
crystallite_postResults(c+1:c+constitutive_sizePostResults(g,i,e)) = & crystallite_postResults(c+1:c+constitutive_sizePostResults(g,i,e)) = &
constitutive_postResults(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, crystallite_Fp, & constitutive_postResults(crystallite_Tstar_v(:,g,i,e), crystallite_Fe(:,:,g,i,e), crystallite_Temperature(g,i,e), dt, g, i, e)
crystallite_Temperature(g,i,e), crystallite_disorientation(:,:,g,i,e), dt, &
crystallite_subdt(g,i,e), g, i, e)
c = c + constitutive_sizePostResults(g,i,e) c = c + constitutive_sizePostResults(g,i,e)
return return

3
code/material.config
View File

@ -192,7 +192,6 @@ constitution nonlocal
(output) rho_dot_gen_edge (output) rho_dot_gen_edge
(output) rho_dot_gen_screw (output) rho_dot_gen_screw
(output) rho_dot_sgl2dip (output) rho_dot_sgl2dip
(output) rho_dot_dip2sgl
(output) rho_dot_ann_ath (output) rho_dot_ann_ath
(output) rho_dot_ann_the (output) rho_dot_ann_the
(output) rho_dot_flux (output) rho_dot_flux
@ -213,8 +212,6 @@ constitution nonlocal
(output) fluxDensity_screw_neg_z (output) fluxDensity_screw_neg_z
(output) d_upper_edge (output) d_upper_edge
(output) d_upper_screw (output) d_upper_screw
(output) d_upper_dot_edge
(output) d_upper_dot_screw
lattice_structure fcc lattice_structure fcc