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corrected error messages 

you can now switch of shear banding by seting sb_velocity to zero
stacking fault energy parameters are now read from material.config
This commit is contained in:
Franz Roters 2011-09-26 09:55:08 +00:00
parent 2e263dee90
commit 58917b5abe
3 changed files with 62 additions and 44 deletions
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10
code/IO.f90
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@ -1263,9 +1263,9 @@ endfunction
case (222) case (222)
msg = 'negative activation energy for edge dislocation glide' msg = 'negative activation energy for edge dislocation glide'
case (223) case (223)
msg = 'negative self diffusion energy' msg = 'zero stackin fault energy'
case (224) ! case (224)
msg = 'non-positive diffusion prefactor' ! msg = 'non-positive diffusion prefactor'
case (225) case (225)
msg = 'no slip systems specified' msg = 'no slip systems specified'
case (226) case (226)
@ -1281,9 +1281,11 @@ endfunction
case (231) case (231)
msg = 'non-positive prefactor for self-diffusion coefficient' ! what is the difference to 224 ?? msg = 'non-positive prefactor for self-diffusion coefficient' ! what is the difference to 224 ??
case (232) case (232)
msg = 'non-positive activation energy' msg = 'non-positive activation energy for self-diffusion'
case (233) case (233)
msg = 'non-positive relevant dislocation density' msg = 'non-positive relevant dislocation density'
case (234)
msg = 'error in shear banding input'
case (235) case (235)
msg = 'material parameter in nonlocal constitutive phase out of bounds:' msg = 'material parameter in nonlocal constitutive phase out of bounds:'
case (236) case (236)

2
code/config/material.config
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@ -376,6 +376,8 @@ Cmfptwin 1.0 # Adj. parameter controlling twin mean free
Cthresholdtwin 1.0 # Adj. parameter controlling twin threshold stress Cthresholdtwin 1.0 # Adj. parameter controlling twin threshold stress
interactionSlipTwin 0.0 1.0 # Dislocation-Twin interaction coefficients interactionSlipTwin 0.0 1.0 # Dislocation-Twin interaction coefficients
interactionTwinTwin 0.0 1.0 # Twin-Twin interaction coefficients interactionTwinTwin 0.0 1.0 # Twin-Twin interaction coefficients
SFE_0K -0.0396 # stacking fault energy at zero K; TWIP steel: -0.0526; Cu: -0.0396
dSFE_dT 0.0002 # temperature dependance of stacking fault energy
#-------------------# #-------------------#
<texture> <texture>

94
code/constitutive_dislotwin.f90
View File

@ -81,6 +81,8 @@ real(pReal), dimension(:), allocatable :: constitutive_dislotwin
constitutive_dislotwin_L0, & ! Length of twin nuclei in Burgers vectors constitutive_dislotwin_L0, & ! Length of twin nuclei in Burgers vectors
constitutive_dislotwin_sbResistance, & ! FIXED (for now) value for shearband resistance (might become an internal state variable at some point) constitutive_dislotwin_sbResistance, & ! FIXED (for now) value for shearband resistance (might become an internal state variable at some point)
constitutive_dislotwin_sbVelocity, & ! FIXED (for now) value for shearband velocity_0 constitutive_dislotwin_sbVelocity, & ! FIXED (for now) value for shearband velocity_0
constitutive_dislotwin_SFE_0K, & ! stacking fault energy at zero K
constitutive_dislotwin_dSFE_dT, & ! temperature dependance of stacking fault energy
constitutive_dislotwin_aTolRho ! absolute tolerance for integration of dislocation density constitutive_dislotwin_aTolRho ! absolute tolerance for integration of dislocation density
real(pReal), dimension(:,:,:), allocatable :: constitutive_dislotwin_Cslip_66 ! elasticity matrix in Mandel notation for each instance real(pReal), dimension(:,:,:), allocatable :: constitutive_dislotwin_Cslip_66 ! elasticity matrix in Mandel notation for each instance
real(pReal), dimension(:,:,:,:), allocatable :: constitutive_dislotwin_Ctwin_66 ! twin elasticity matrix in Mandel notation for each instance real(pReal), dimension(:,:,:,:), allocatable :: constitutive_dislotwin_Ctwin_66 ! twin elasticity matrix in Mandel notation for each instance
@ -213,6 +215,8 @@ allocate(constitutive_dislotwin_Cslip_66(6,6,maxNinstance))
allocate(constitutive_dislotwin_Cslip_3333(3,3,3,3,maxNinstance)) allocate(constitutive_dislotwin_Cslip_3333(3,3,3,3,maxNinstance))
allocate(constitutive_dislotwin_sbResistance(maxNinstance)) allocate(constitutive_dislotwin_sbResistance(maxNinstance))
allocate(constitutive_dislotwin_sbVelocity(maxNinstance)) allocate(constitutive_dislotwin_sbVelocity(maxNinstance))
allocate(constitutive_dislotwin_SFE_0K(maxNinstance))
allocate(constitutive_dislotwin_dSFE_dT(maxNinstance))
constitutive_dislotwin_CoverA = 0.0_pReal constitutive_dislotwin_CoverA = 0.0_pReal
constitutive_dislotwin_C11 = 0.0_pReal constitutive_dislotwin_C11 = 0.0_pReal
constitutive_dislotwin_C12 = 0.0_pReal constitutive_dislotwin_C12 = 0.0_pReal
@ -238,6 +242,8 @@ constitutive_dislotwin_Cslip_66 = 0.0_pReal
constitutive_dislotwin_Cslip_3333 = 0.0_pReal constitutive_dislotwin_Cslip_3333 = 0.0_pReal
constitutive_dislotwin_sbResistance = 0.0_pReal constitutive_dislotwin_sbResistance = 0.0_pReal
constitutive_dislotwin_sbVelocity = 0.0_pReal constitutive_dislotwin_sbVelocity = 0.0_pReal
constitutive_dislotwin_SFE_0K = 0.0_pReal
constitutive_dislotwin_dSFE_dT = 0.0_pReal
allocate(constitutive_dislotwin_rhoEdge0(lattice_maxNslipFamily,maxNinstance)) allocate(constitutive_dislotwin_rhoEdge0(lattice_maxNslipFamily,maxNinstance))
allocate(constitutive_dislotwin_rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance)) allocate(constitutive_dislotwin_rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance))
allocate(constitutive_dislotwin_burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance)) allocate(constitutive_dislotwin_burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance))
@ -379,6 +385,10 @@ do ! read thru sections of
case ('interactiontwintwin') case ('interactiontwintwin')
forall (j = 1:lattice_maxNinteraction) & forall (j = 1:lattice_maxNinteraction) &
constitutive_dislotwin_interactionTwinTwin(j,i) = IO_floatValue(line,positions,1+j) constitutive_dislotwin_interactionTwinTwin(j,i) = IO_floatValue(line,positions,1+j)
case ('sfe_0k')
constitutive_dislotwin_SFE_0K(i) = IO_floatValue(line,positions,2)
case ('dsfe_dt')
constitutive_dislotwin_dSFE_dT(i) = IO_floatValue(line,positions,2)
case ('shearbandresistance') case ('shearbandresistance')
constitutive_dislotwin_sbResistance(i) = IO_floatValue(line,positions,2) constitutive_dislotwin_sbResistance(i) = IO_floatValue(line,positions,2)
case ('shearbandvelocity') case ('shearbandvelocity')
@ -416,7 +426,9 @@ enddo
if (constitutive_dislotwin_Qsd(i) <= 0.0_pReal) call IO_error(232) if (constitutive_dislotwin_Qsd(i) <= 0.0_pReal) call IO_error(232)
if (constitutive_dislotwin_aTolRho(i) <= 0.0_pReal) call IO_error(233) if (constitutive_dislotwin_aTolRho(i) <= 0.0_pReal) call IO_error(233)
if (constitutive_dislotwin_sbResistance(i) <= 0.0_pReal) call IO_error(234) if (constitutive_dislotwin_sbResistance(i) <= 0.0_pReal) call IO_error(234)
if (constitutive_dislotwin_sbVelocity(i) <= 0.0_pReal) call IO_error(235) if (constitutive_dislotwin_sbVelocity(i) < 0.0_pReal) call IO_error(235)
if (constitutive_dislotwin_SFE_0K(i) == 0.0_pReal .AND. &
constitutive_dislotwin_dSFE_dT(i) == 0.0_pReal) call IO_error(223)
!* Determine total number of active slip or twin systems !* Determine total number of active slip or twin systems
constitutive_dislotwin_Nslip(:,i) = min(lattice_NslipSystem(:,myStructure),constitutive_dislotwin_Nslip(:,i)) constitutive_dislotwin_Nslip(:,i) = min(lattice_NslipSystem(:,myStructure),constitutive_dislotwin_Nslip(:,i))
@ -822,8 +834,8 @@ nt = constitutive_dislotwin_totalNtwin(myInstance)
sumf = sum(state(g,ip,el)%p((2*ns+1):(2*ns+nt))) ! safe for nt == 0 sumf = sum(state(g,ip,el)%p((2*ns+1):(2*ns+nt))) ! safe for nt == 0
!* Stacking fault energy !* Stacking fault energy
!sfe = 0.0002_pReal*Temperature-0.0526_pReal !TWIP sfe = constitutive_dislotwin_SFE_0K(myInstance) + &
sfe = 0.0002_pReal*Temperature-0.0396_pReal !Cu constitutive_dislotwin_dSFE_dT(myInstance) * Temperature
!* rescaled twin volume fraction for topology !* rescaled twin volume fraction for topology
forall (t = 1:nt) & forall (t = 1:nt) &
@ -1025,51 +1037,53 @@ do f = 1,lattice_maxNslipFamily ! loop over all
enddo enddo
!* Shear banding (shearband) part !* Shear banding (shearband) part
gdot_sb = 0.0_pReal if(constitutive_dislotwin_sbVelocity(myInstance) /= 0.0_pReal) then
dgdot_dtausb = 0.0_pReal gdot_sb = 0.0_pReal
call math_spectralDecompositionSym3x3(math_Mandel6to33(Tstar_v),eigValues,eigVectors, error) dgdot_dtausb = 0.0_pReal
do j = 1,6 call math_spectralDecompositionSym3x3(math_Mandel6to33(Tstar_v),eigValues,eigVectors, error)
sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) do j = 1,6
sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j))
sb_Smatrix = math_tensorproduct(sb_s,sb_m) sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j))
constitutive_dislotwin_sbSv(1:6,j,g,ip,el) = math_Mandel33to6(math_symmetric3x3(sb_Smatrix)) sb_Smatrix = math_tensorproduct(sb_s,sb_m)
constitutive_dislotwin_sbSv(1:6,j,g,ip,el) = math_Mandel33to6(math_symmetric3x3(sb_Smatrix))
!* Calculation of Lp !* Calculation of Lp
!* Resolved shear stress on shear banding system !* Resolved shear stress on shear banding system
tau_sb(j) = dot_product(Tstar_v,constitutive_dislotwin_sbSv(1:6,j,g,ip,el)) tau_sb(j) = dot_product(Tstar_v,constitutive_dislotwin_sbSv(1:6,j,g,ip,el))
! if (debug_selectiveDebugger .and. g==debug_g .and. ip==debug_i .and. el==debug_e) then ! if (debug_selectiveDebugger .and. g==debug_g .and. ip==debug_i .and. el==debug_e) then
! write(6,'(a,3(i3,x),a,i1,a,e10.3)') '### TAU SHEARBAND at g ip el ',g,ip,el,' on family ',j,' : ',tau ! write(6,'(a,3(i3,x),a,i1,a,e10.3)') '### TAU SHEARBAND at g ip el ',g,ip,el,' on family ',j,' : ',tau
! endif ! endif
!* Stress ratios !* Stress ratios
StressRatio_p = (abs(tau_sb(j))/constitutive_dislotwin_sbResistance(myInstance))**constitutive_dislotwin_p(myInstance) StressRatio_p = (abs(tau_sb(j))/constitutive_dislotwin_sbResistance(myInstance))**constitutive_dislotwin_p(myInstance)
StressRatio_pminus1 = (abs(tau_sb(j))/constitutive_dislotwin_sbResistance(myInstance))**(constitutive_dislotwin_p(myInstance)-1.0_pReal) StressRatio_pminus1 = (abs(tau_sb(j))/constitutive_dislotwin_sbResistance(myInstance))**(constitutive_dislotwin_p(myInstance)-1.0_pReal)
!* Boltzmann ratio !* Boltzmann ratio
BoltzmannRatio = constitutive_dislotwin_QedgePerSlipSystem(f,myInstance)/(kB*Temperature) BoltzmannRatio = constitutive_dislotwin_QedgePerSlipSystem(f,myInstance)/(kB*Temperature)
!* Initial shear rates !* Initial shear rates
DotGamma0 = constitutive_dislotwin_sbVelocity(myInstance) DotGamma0 = constitutive_dislotwin_sbVelocity(myInstance)
!* Shear rates due to shearband !* Shear rates due to shearband
gdot_sb(j) = DotGamma0*exp(-BoltzmannRatio*(1-StressRatio_p)**constitutive_dislotwin_q(myInstance))*& gdot_sb(j) = DotGamma0*exp(-BoltzmannRatio*(1-StressRatio_p)**constitutive_dislotwin_q(myInstance))*&
sign(1.0_pReal,tau_sb(j)) sign(1.0_pReal,tau_sb(j))
!* Derivatives of shear rates !* Derivatives of shear rates
dgdot_dtausb(j) = & dgdot_dtausb(j) = &
((abs(gdot_sb(j))*BoltzmannRatio*& ((abs(gdot_sb(j))*BoltzmannRatio*&
constitutive_dislotwin_p(myInstance)*constitutive_dislotwin_q(myInstance))/constitutive_dislotwin_sbResistance(myInstance))*& constitutive_dislotwin_p(myInstance)*constitutive_dislotwin_q(myInstance))/constitutive_dislotwin_sbResistance(myInstance))*&
StressRatio_pminus1*(1-StressRatio_p)**(constitutive_dislotwin_q(myInstance)-1.0_pReal) StressRatio_pminus1*(1-StressRatio_p)**(constitutive_dislotwin_q(myInstance)-1.0_pReal)
!* Plastic velocity gradient for shear banding !* Plastic velocity gradient for shear banding
Lp = Lp + gdot_sb(j)*sb_Smatrix Lp = Lp + gdot_sb(j)*sb_Smatrix
!* Calculation of the tangent of Lp !* Calculation of the tangent of Lp
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dTstar3333(k,l,m,n) = & dLp_dTstar3333(k,l,m,n) = &
dLp_dTstar3333(k,l,m,n) + dgdot_dtausb(j)*& dLp_dTstar3333(k,l,m,n) + dgdot_dtausb(j)*&
sb_Smatrix(k,l)*& sb_Smatrix(k,l)*&
sb_Smatrix(m,n) sb_Smatrix(m,n)
enddo enddo
end if
!* Mechanical twinning part !* Mechanical twinning part
gdot_twin = 0.0_pReal gdot_twin = 0.0_pReal