sanity checks in more sensible order
This commit is contained in:
Martin Diehl
parent
918860ab38
commit
a46b4a52a8
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@ -150,8 +150,8 @@ module plastic_dislotwin
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threshold_stress_trans, &
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twinVolume, &
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martensiteVolume, &
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tau_r_twin, & !< stress to bring partial close together for each twin system and instance
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tau_r_trans !< stress to bring partial close together for each trans system and instance
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tau_r_twin, & !< stress to bring partials close together (twin)
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tau_r_trans !< stress to bring partials close together (trans)
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end type tDislotwinMicrostructure
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!--------------------------------------------------------------------------------------------------
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@ -269,6 +269,10 @@ subroutine plastic_dislotwin_init
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dst => microstructure(phase_plasticityInstance(p)), &
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config => config_phase(p))
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prm%aTolRho = config%getFloat('atol_rho', defaultVal=0.0_pReal)
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prm%aTolTwinFrac = config%getFloat('atol_twinfrac', defaultVal=0.0_pReal)
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prm%aTolTransFrac = config%getFloat('atol_transfrac', defaultVal=0.0_pReal)
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! This data is read in already in lattice
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prm%mu = lattice_mu(p)
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prm%nu = lattice_nu(p)
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@ -307,6 +311,8 @@ subroutine plastic_dislotwin_init
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defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) ! Deprecated
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prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance')
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prm%D0 = config%getFloat('d0')
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prm%Qsd = config%getFloat('qsd')
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prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers_slip**3.0_pReal
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! expand: family => system
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@ -323,16 +329,18 @@ subroutine plastic_dislotwin_init
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prm%atomicVolume = math_expand(prm%atomicVolume,prm%Nslip)
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! sanity checks
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if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//'rho0 '
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if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//'rhoDip0 '
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if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//'v0 '
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if (any(prm%burgers_slip <= 0.0_pReal)) extmsg = trim(extmsg)//'burgers_slip '
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if (any(prm%Qedge <= 0.0_pReal)) extmsg = trim(extmsg)//'Qedge '
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if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//'CLambdaSlip '
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if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//'B '
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if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//'tau_peierls '
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if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//'p '
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if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//'q '
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if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D0'
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if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Qsd'
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if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho0'
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if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoDip0'
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if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
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if (any(prm%burgers_slip <= 0.0_pReal)) extmsg = trim(extmsg)//' burgers_slip'
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if (any(prm%Qedge <= 0.0_pReal)) extmsg = trim(extmsg)//' Qedge'
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if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//' CLambdaSlip'
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if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B'
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if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls'
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if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p'
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if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q'
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else slipActive
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allocate(prm%burgers_slip(0))
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@ -447,64 +455,46 @@ subroutine plastic_dislotwin_init
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if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6]
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endif
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prm%aTolRho = config%getFloat('atol_rho', defaultVal=0.0_pReal)
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prm%aTolTwinFrac = config%getFloat('atol_twinfrac', defaultVal=0.0_pReal)
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prm%aTolTransFrac = config%getFloat('atol_transfrac', defaultVal=0.0_pReal)
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prm%GrainSize = config%getFloat('grainsize')
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prm%D0 = config%getFloat('d0')
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prm%Qsd = config%getFloat('qsd')
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prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! Deprecated
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if (config%keyExists('dipoleformationfactor')) call IO_error(1,ext_msg='use /nodipoleformation/')
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prm%dipoleformation = .not. config%keyExists('/nodipoleformation/')
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prm%sbVelocity = config%getFloat('shearbandvelocity',defaultVal=0.0_pReal)
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!--------------------------------------------------------------------------------------------------
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! shearband related parameters
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prm%sbVelocity = config%getFloat('shearbandvelocity',defaultVal=0.0_pReal)
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if (prm%sbVelocity > 0.0_pReal) then
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prm%sbResistance = config%getFloat('shearbandresistance')
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prm%sbQedge = config%getFloat('qedgepersbsystem')
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prm%pShearBand = config%getFloat('p_shearband')
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prm%qShearBand = config%getFloat('q_shearband')
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prm%sbQedge = config%getFloat('qedgepersbsystem')
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prm%pShearBand = config%getFloat('p_shearband')
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prm%qShearBand = config%getFloat('q_shearband')
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! sanity checks
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if (prm%sbResistance < 0.0_pReal) extmsg = trim(extmsg)//' shearbandresistance'
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if (prm%sbQedge < 0.0_pReal) extmsg = trim(extmsg)//' qedgepersbsystem'
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if (prm%pShearBand <= 0.0_pReal) extmsg = trim(extmsg)//' p_shearband'
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if (prm%qShearBand <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband'
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endif
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prm%GrainSize = config%getFloat('grainsize')
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prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! Deprecated
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if (config%keyExists('dipoleformationfactor')) call IO_error(1,ext_msg='use /nodipoleformation/')
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prm%dipoleformation = .not. config%keyExists('/nodipoleformation/')
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!if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) &
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! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')')
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if (any(prm%atomicVolume <= 0.0_pReal)) &
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call IO_error(211_pInt,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')')
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if (prm%D0 <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')')
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if (prm%Qsd <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')')
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if (prm%totalNtwin > 0_pInt) then
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if (dEq0(prm%SFE_0K) .and. &
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dEq0(prm%dSFE_dT) .and. &
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lattice_structure(p) == LATTICE_fcc_ID) &
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call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
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if (prm%aTolRho <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')')
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if (prm%aTolTwinFrac <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')')
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endif
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if (prm%totalNtrans > 0_pInt) then
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if (dEq0(prm%SFE_0K) .and. &
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dEq0(prm%dSFE_dT) .and. &
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lattice_structure(p) == LATTICE_fcc_ID) &
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call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
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if (prm%aTolTransFrac <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')')
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endif
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!if (prm%sbResistance < 0.0_pReal) &
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! call IO_error(211_pInt,el=p,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')')
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!if (prm%sbVelocity < 0.0_pReal) &
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! call IO_error(211_pInt,el=p,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')')
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!if (prm%sbVelocity > 0.0_pReal .and. &
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! prm%pShearBand <= 0.0_pReal) &
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! call IO_error(211_pInt,el=p,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')')
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if (prm%sbVelocity > 0.0_pReal .and. &
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prm%qShearBand <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')')
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outputs = config%getStrings('(output)', defaultVal=emptyStringArray)
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allocate(prm%outputID(0))
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@ -599,13 +589,13 @@ subroutine plastic_dislotwin_init
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plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:)
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startIndex = endIndex + 1_pInt
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endIndex=endIndex+prm%totalNtwin
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endIndex = endIndex + prm%totalNtwin
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stt%twinFraction=>plasticState(p)%state(startIndex:endIndex,:)
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dot%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac
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startIndex = endIndex + 1_pInt
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endIndex=endIndex+prm%totalNtrans
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endIndex = endIndex + prm%totalNtrans
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stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:)
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dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac
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@ -619,13 +609,13 @@ subroutine plastic_dislotwin_init
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allocate(dst%invLambdaTwin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
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allocate(dst%mfp_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
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allocate(dst%threshold_stress_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
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allocate(dst%tau_r_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) !* equilibrium separation of partial dislocations (twin)
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allocate(dst%tau_r_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
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allocate(dst%twinVolume (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
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allocate(dst%invLambdaTrans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
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allocate(dst%mfp_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
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allocate(dst%threshold_stress_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
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allocate(dst%tau_r_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) !* equilibrium separation of partial dislocations (trans)
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allocate(dst%tau_r_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
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allocate(dst%martensiteVolume (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
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@ -815,8 +805,9 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
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tol_math_check, &
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dEq0
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use math, only: &
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math_clip, &
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math_mul33xx33, &
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pi
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PI
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use material, only: &
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plasticState
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@ -940,7 +931,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of)
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sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of))
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sumf_trans = sum(stt%strainTransFraction(1:prm%totalNtrans,of))
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sfe = prm%SFE_0K + prm%dSFE_dT * Temperature
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SFE = prm%SFE_0K + prm%dSFE_dT * Temperature
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!* rescaled volume fraction for topology
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fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: this is per system
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@ -999,11 +990,11 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of)
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!* threshold stress for growing twin/martensite
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if(prm%totalNtwin == prm%totalNslip) &
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dst%threshold_stress_twin(:,of) = prm%Cthresholdtwin* &
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(sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ &
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(SFE/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ &
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(prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct?
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if(prm%totalNtrans == prm%totalNslip) &
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dst%threshold_stress_trans(:,of) = prm%Cthresholdtrans* &
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(sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/&
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(SFE/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/&
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(prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) )
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