new parameter "significantRho" for nonlocal constitutive law ; density below this value will hardly contribute to dislocation glide or any dislocation reaction ; old parameter "absoluteToleranceRho" is now used only for its initial purpose, namely the absolute tolerance in the state integration
This commit is contained in:
Christoph Kords
parent
05f15efb62
commit
4f67d04c69
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@ -267,7 +267,6 @@ rhoSglScrewNeg0 0.25e10 # Initial negative screw single
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rhoDipEdge0 1e8 # Initial edge dipole dislocation density in m/m**3 (per slip family)
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rhoDipScrew0 1e8 # Initial screw dipole dislocation density in m/m**3 (per slip family)
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rhoSglScatter 0 # standard deviation of scatter in initial single dislocation density
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cutoffRadius 1e-3 # cutoff radius for dislocation stress in m
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minimumDipoleHeightEdge 2e-9 # minimum distance for stable edge dipoles in m (per slip family)
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minimumDipoleHeightScrew 2e-9 # minimum distance for stable screw dipoles in m (per slip family)
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lambda0 80 # prefactor for mean free path
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@ -286,10 +285,12 @@ q 1 # exponent for thermal barrier
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attackFrequency 50e9 # attack frequency in Hz
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surfaceTransmissivity 1.0 # transmissivity of free surfaces for dislocation flux
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grainboundaryTransmissivity 0.0 # transmissivity of grain boundaries for dislocation flux (grain bundaries are identified as interfaces with different textures on both sides); if not set or set to negative number, the subroutine automatically determines the transmissivity at the grain boundary
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shortRangeStressCorrection 0 # switch for use of short range correction stress
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interaction_SlipSlip 0 0 0.625 0.07 0.137 0.122 # Dislocation interaction coefficient
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shortRangeStressCorrection 0 # switch for use of short range correction stress
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cutoffRadius 1e-3 # cutoff radius for dislocation stress in m
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CFLfactor 2.0 # safety factor for CFL flux check (numerical parameter)
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atol_rho 1e3 # dislocation density considered relevant in m/m**3
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significantRho 1e6 # minimum dislocation density considered relevant in m/m**3
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absoluteToleranceRho 1e4 # absolute tolerance for dislocation density in m/m**3
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[BCC_Ferrite]
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@ -115,6 +115,7 @@ constitutive_nonlocal_atomicVolume, & ! atomic vo
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constitutive_nonlocal_Dsd0, & ! prefactor for self-diffusion coefficient
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constitutive_nonlocal_Qsd, & ! activation enthalpy for diffusion
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constitutive_nonlocal_aTolRho, & ! absolute tolerance for dislocation density in state integration
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constitutive_nonlocal_significantRho, & ! density considered significant
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constitutive_nonlocal_R, & ! cutoff radius for dislocation stress
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constitutive_nonlocal_doublekinkwidth, & ! width of a doubkle kink in multiples of the burgers vector length b
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constitutive_nonlocal_solidSolutionEnergy, & ! activation energy for solid solution in J
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@ -317,6 +318,7 @@ allocate(constitutive_nonlocal_atomicVolume(maxNinstance))
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allocate(constitutive_nonlocal_Dsd0(maxNinstance))
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allocate(constitutive_nonlocal_Qsd(maxNinstance))
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allocate(constitutive_nonlocal_aTolRho(maxNinstance))
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allocate(constitutive_nonlocal_significantRho(maxNinstance))
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allocate(constitutive_nonlocal_Cslip_66(6,6,maxNinstance))
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allocate(constitutive_nonlocal_Cslip_3333(3,3,3,3,maxNinstance))
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allocate(constitutive_nonlocal_R(maxNinstance))
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@ -344,6 +346,7 @@ constitutive_nonlocal_atomicVolume = 0.0_pReal
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constitutive_nonlocal_Dsd0 = -1.0_pReal
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constitutive_nonlocal_Qsd = 0.0_pReal
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constitutive_nonlocal_aTolRho = 0.0_pReal
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constitutive_nonlocal_significantRho = 0.0_pReal
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constitutive_nonlocal_nu = 0.0_pReal
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constitutive_nonlocal_Cslip_66 = 0.0_pReal
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constitutive_nonlocal_Cslip_3333 = 0.0_pReal
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@ -469,15 +472,17 @@ do
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constitutive_nonlocal_Dsd0(i) = IO_floatValue(line,positions,2_pInt)
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case('selfdiffusionenergy','qsd')
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constitutive_nonlocal_Qsd(i) = IO_floatValue(line,positions,2_pInt)
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case('atol_rho')
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case('atol_rho','absolutetolerancerho','absolutetolerance_rho','absolutetolerancedensity','absolutetolerance_density')
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constitutive_nonlocal_aTolRho(i) = IO_floatValue(line,positions,2_pInt)
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case('significantrho','significant_rho','significantdensity','significant_density')
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constitutive_nonlocal_significantRho(i) = IO_floatValue(line,positions,2_pInt)
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case ('interaction_slipslip')
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forall (it = 1_pInt:lattice_maxNinteraction) &
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constitutive_nonlocal_interactionSlipSlip(it,i) = IO_floatValue(line,positions,1_pInt+it)
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case('peierlsstressedge')
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case('peierlsstressedge','peierlsstress_edge')
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forall (f = 1_pInt:lattice_maxNslipFamily) &
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constitutive_nonlocal_peierlsStressPerSlipFamily(f,1_pInt,i) = IO_floatValue(line,positions,1_pInt+f)
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case('peierlsstressscrew')
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case('peierlsstressscrew','peierlsstress_screw')
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forall (f = 1_pInt:lattice_maxNslipFamily) &
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constitutive_nonlocal_peierlsStressPerSlipFamily(f,2_pInt,i) = IO_floatValue(line,positions,1_pInt+f)
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case('doublekinkwidth')
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@ -573,6 +578,8 @@ enddo
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//constitutive_nonlocal_label//')')
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if (constitutive_nonlocal_aTolRho(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='aTol_rho (' &
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//constitutive_nonlocal_label//')')
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if (constitutive_nonlocal_significantRho(i) < 0.0_pReal) call IO_error(211_pInt,ext_msg='significantRho (' &
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//constitutive_nonlocal_label//')')
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if (constitutive_nonlocal_doublekinkwidth(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='doublekinkwidth (' &
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//constitutive_nonlocal_label//')')
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if (constitutive_nonlocal_solidSolutionEnergy(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='solidSolutionEnergy (' &
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@ -1129,6 +1136,14 @@ forall (s = 1_pInt:ns, c = 1_pInt:2_pInt) &
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rhoDip(s,c) = max(state(g,ip,el)%p((7_pInt+c)*ns+s), 0.0_pReal) ! ensure positive dipole densities
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!*** below significantRho, density quickly drops to zero
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rhoSgl = sign((rhoSgl**4.0_pReal + constitutive_nonlocal_significantRho(instance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(instance), rhoSgl)
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rhoDip = (rhoDip**4.0_pReal + constitutive_nonlocal_significantRho(instance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(instance)
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!*** calculate the forest dislocation density
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!*** (= projection of screw and edge dislocations)
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@ -1501,8 +1516,9 @@ integer(pInt) myInstance, & ! curren
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s, & ! index of my current slip system
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sLattice ! index of my current slip system according to lattice order
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real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 ! derivative of Lp with respect to Tstar (3x3x3x3 matrix)
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),8) :: &
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rhoSgl ! single dislocation densities (including used)
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_plasticityInstance(material_phase(g,ip,el))),4) :: &
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rhoSgl, & ! single dislocation densities (including used)
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v, & ! velocity
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dv_dtau ! velocity derivative with respect to the shear stress
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_plasticityInstance(material_phase(g,ip,el)))) :: &
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@ -1526,9 +1542,17 @@ ns = constitutive_nonlocal_totalNslip(myInstance)
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forall (s = 1_pInt:ns, t = 1_pInt:4_pInt) &
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rhoSgl(s,t) = max(state%p((t-1_pInt)*ns+s), 0.0_pReal)
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forall (s = 1_pInt:ns, t = 5_pInt:8_pInt) &
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rhoSgl(s,t) = state%p((t-1_pInt)*ns+s)
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tauBack = state%p(12_pInt*ns+1:13_pInt*ns)
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!*** below significantRho, density quickly drops to zero
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rhoSgl = sign((rhoSgl**4.0_pReal + constitutive_nonlocal_significantRho(myInstance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(myInstance), rhoSgl)
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!*** get effective resolved shear stress
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do s = 1_pInt,ns
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@ -1557,14 +1581,14 @@ endif
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!*** Bauschinger effect
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forall (s = 1_pInt:ns, t = 5_pInt:8_pInt, state%p((t-1)*ns+s) * v(s,t-4_pInt) < 0.0_pReal) &
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rhoSgl(s,t-4_pInt) = rhoSgl(s,t-4_pInt) + abs(state%p((t-1_pInt)*ns+s))
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forall (s = 1_pInt:ns, t = 5_pInt:8_pInt, rhoSgl(s,t) * v(s,t-4_pInt) < 0.0_pReal) &
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rhoSgl(s,t-4_pInt) = rhoSgl(s,t-4_pInt) + abs(rhoSgl(s,t))
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!*** Calculation of gdot and its tangent
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gdotTotal = sum(rhoSgl * v, 2) * constitutive_nonlocal_burgers(1:ns,myInstance)
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dgdotTotal_dtau = sum(rhoSgl * dv_dtau, 2) * constitutive_nonlocal_burgers(1:ns,myInstance)
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gdotTotal = sum(rhoSgl(1:ns,1:4) * v, 2) * constitutive_nonlocal_burgers(1:ns,myInstance)
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dgdotTotal_dtau = sum(rhoSgl(1:ns,1:4) * dv_dtau, 2) * constitutive_nonlocal_burgers(1:ns,myInstance)
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!*** Calculation of Lp and its tangent
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@ -1694,6 +1718,15 @@ forall (c = 1_pInt:2_pInt) &
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!*** below significantRho, density quickly drops to zero
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rhoSgl = sign((rhoSgl**4.0_pReal + constitutive_nonlocal_significantRho(myInstance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(myInstance), rhoSgl)
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rhoDip = (rhoDip**4.0_pReal + constitutive_nonlocal_significantRho(myInstance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(myInstance)
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!****************************************************************************
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!*** dislocation remobilization (bauschinger effect)
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@ -1934,6 +1967,15 @@ forall (t = 1_pInt:4_pInt) &
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v(1_pInt:ns,t) = state(g,ip,el)%p((12_pInt+t)*ns+1_pInt:(13_pInt+t)*ns)
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!*** below significantRho, density quickly drops to zero
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rhoSgl = sign((rhoSgl**4.0_pReal + constitutive_nonlocal_significantRho(myInstance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(myInstance), rhoSgl)
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rhoDip = (rhoDip**4.0_pReal + constitutive_nonlocal_significantRho(myInstance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(myInstance)
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!*** sanity check for timestep
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if (timestep <= 0.0_pReal) then ! if illegal timestep...
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@ -2233,22 +2275,6 @@ if (numerics_integrationMode == 1_pInt) then
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endif
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if ( any(rhoSgl(1:ns,1:4) + rhoDot(1:ns,1:4) * timestep < - constitutive_nonlocal_aTolRho(myInstance)) &
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.or. any(rhoDip(1:ns,1:2) + rhoDot(1:ns,9:10) * timestep < - constitutive_nonlocal_aTolRho(myInstance))) then
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#ifndef _OPENMP
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if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) then
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write(6,'(a,i5,a,i2)') '<< CONST >> evolution rate leads to negative density at el ',el,' ip ',ip
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write(6,'(a)') '<< CONST >> enforcing cutback !!!'
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endif
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#endif
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constitutive_nonlocal_dotState = DAMASK_NaN
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return
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else
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constitutive_nonlocal_dotState(1:10_pInt*ns) = reshape(rhoDot,(/10_pInt*ns/))
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endif
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#ifndef _OPENMP
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if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt &
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.and. ((debug_e == el .and. debug_i == ip .and. debug_g == g)&
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@ -2268,6 +2294,21 @@ endif
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endif
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#endif
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if ( any(rhoSgl(1:ns,1:4) + rhoDot(1:ns,1:4) * timestep < -constitutive_nonlocal_significantRho(myInstance)) &
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.or. any(rhoDip(1:ns,1:2) + rhoDot(1:ns,9:10) * timestep < -constitutive_nonlocal_significantRho(myInstance))) then
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#ifndef _OPENMP
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if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) then
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write(6,'(a,i5,a,i2)') '<< CONST >> evolution rate leads to negative density at el ',el,' ip ',ip
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write(6,'(a)') '<< CONST >> enforcing cutback !!!'
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endif
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#endif
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constitutive_nonlocal_dotState = DAMASK_NaN
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return
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else
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constitutive_nonlocal_dotState(1:10_pInt*ns) = reshape(rhoDot,(/10_pInt*ns/))
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endif
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endfunction
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@ -2590,6 +2631,12 @@ forall (t = 5_pInt:8_pInt) &
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rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1_pInt)*ns+1_pInt:t*ns)
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!*** below significantRho, density quickly drops to zero
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rhoSgl = sign((rhoSgl**4.0_pReal + constitutive_nonlocal_significantRho(instance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(instance), rhoSgl)
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!*** calculate the dislocation stress of the neighboring excess dislocation densities
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!*** zero for material points of local plasticity
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@ -2674,7 +2721,7 @@ ipLoop: do neighboring_ip = 1_pInt,FE_Nips(mesh_element(2,neighboring_el))
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!* and add up the stress contributions from egde and screw excess on these slip systems (if significant)
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do s = 1_pInt,neighboring_ns
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if (all(abs(neighboring_rhoExcess(:,:,s)) < constitutive_nonlocal_aTolRho(instance))) then
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if (all(abs(neighboring_rhoExcess(:,:,s)) < constitutive_nonlocal_significantRho(instance))) then
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cycle ! not significant
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endif
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@ -2696,7 +2743,7 @@ ipLoop: do neighboring_ip = 1_pInt,FE_Nips(mesh_element(2,neighboring_el))
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zsquare = z * z
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do j = 1_pInt,2_pInt
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if (abs(neighboring_rhoExcess(1,j,s)) < constitutive_nonlocal_aTolRho(instance)) then
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if (abs(neighboring_rhoExcess(1,j,s)) < constitutive_nonlocal_significantRho(instance)) then
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cycle
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elseif (j > 1_pInt) then
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x = connection_neighboringSlip(1) + sign(0.5_pReal * segmentLength, &
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@ -2736,7 +2783,7 @@ ipLoop: do neighboring_ip = 1_pInt,FE_Nips(mesh_element(2,neighboring_el))
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x = connection_neighboringSlip(1) ! have to restore this value, because position might have been adapted for edge deads before
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do j = 1_pInt,2_pInt
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if (abs(neighboring_rhoExcess(2,j,s)) < constitutive_nonlocal_aTolRho(instance)) then
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if (abs(neighboring_rhoExcess(2,j,s)) < constitutive_nonlocal_significantRho(instance)) then
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cycle
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elseif (j > 1_pInt) then
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y = connection_neighboringSlip(2) + sign(0.5_pReal * segmentLength, &
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@ -2799,7 +2846,7 @@ ipLoop: do neighboring_ip = 1_pInt,FE_Nips(mesh_element(2,neighboring_el))
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+ state(g,ip,el)%p((2_pInt*c+3_pInt)*ns+s) ! negative deads (here we use symmetry: if this has negative sign it is treated as positive density at positive position instead of negative density at negative position)
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do s = 1_pInt,ns
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if (all(abs(rhoExcessDead(:,s)) < constitutive_nonlocal_aTolRho(instance))) then
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if (all(abs(rhoExcessDead(:,s)) < constitutive_nonlocal_significantRho(instance))) then
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cycle ! not significant
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endif
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sigma = 0.0_pReal ! all components except for sigma13 are zero
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@ -2922,8 +2969,12 @@ constitutive_nonlocal_postResults = 0.0_pReal
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!* short hand notations for state variables
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forall (t = 1_pInt:8_pInt) rhoSgl(1:ns,t) = state(g,ip,el)%p((t-1_pInt)*ns+1_pInt:t*ns)
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forall (c = 1_pInt:2_pInt) rhoDip(1:ns,c) = state(g,ip,el)%p((7_pInt+c)*ns+1_pInt:(8_pInt+c)*ns)
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forall (s = 1_pInt:ns, t = 1_pInt:4_pInt) &
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rhoSgl(s,t) = max(state(g,ip,el)%p((t-1_pInt)*ns+s), 0.0_pReal)
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forall (s = 1_pInt:ns, t = 5_pInt:8_pInt) &
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rhoSgl(s,t) = state(g,ip,el)%p((t-1_pInt)*ns+s)
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forall (c = 1_pInt:2_pInt) &
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rhoDip(1:ns,c) = max(state(g,ip,el)%p((7_pInt+c)*ns+1_pInt:(8_pInt+c)*ns), 0.0_pReal)
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rhoForest = state(g,ip,el)%p(10_pInt*ns+1:11_pInt*ns)
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tauThreshold = state(g,ip,el)%p(11_pInt*ns+1:12_pInt*ns)
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tauBack = state(g,ip,el)%p(12_pInt*ns+1:13_pInt*ns)
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@ -2932,6 +2983,15 @@ forall (c = 1_pInt:2_pInt) rhoDotDip(1:ns,c) = dotState%p((7_pInt+c)*ns+1_pInt:(
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forall (t = 1_pInt:4_pInt) v(1:ns,t) = state(g,ip,el)%p((12_pInt+t)*ns+1_pInt:(13_pInt+t)*ns)
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!*** below significantRho, density quickly drops to zero
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rhoSgl = sign((rhoSgl**4.0_pReal + constitutive_nonlocal_significantRho(myInstance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(myInstance), rhoSgl)
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rhoDip = (rhoDip**4.0_pReal + constitutive_nonlocal_significantRho(myInstance)**4.0_pReal)**0.25_pReal &
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- constitutive_nonlocal_significantRho(myInstance)
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!* Calculate shear rate
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do t = 1_pInt,4_pInt
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@ -3016,11 +3076,11 @@ do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
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cs = cs + ns
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case ('rho_sgl_edge_pos_mobile')
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constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoSgl(1:ns,1)
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constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(1:ns)
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cs = cs + ns
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case ('rho_sgl_edge_pos_immobile')
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoSgl(1:ns,5)
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(4*ns+1:5*ns)
|
||||
cs = cs + ns
|
||||
|
||||
case ('rho_sgl_edge_neg')
|
||||
|
|
@ -3028,15 +3088,15 @@ do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
|
|||
cs = cs + ns
|
||||
|
||||
case ('rho_sgl_edge_neg_mobile')
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoSgl(1:ns,2)
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(ns+1:2*ns)
|
||||
cs = cs + ns
|
||||
|
||||
case ('rho_sgl_edge_neg_immobile')
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoSgl(1:ns,6)
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(5*ns+1:6*ns)
|
||||
cs = cs + ns
|
||||
|
||||
case ('rho_dip_edge')
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDip(1:ns,1)
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(8*ns+1:9*ns)
|
||||
cs = cs + ns
|
||||
|
||||
case ('rho_screw')
|
||||
|
|
@ -3060,11 +3120,11 @@ do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
|
|||
cs = cs + ns
|
||||
|
||||
case ('rho_sgl_screw_pos_mobile')
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoSgl(1:ns,3)
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(2*ns+1:3*ns)
|
||||
cs = cs + ns
|
||||
|
||||
case ('rho_sgl_screw_pos_immobile')
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoSgl(1:ns,7)
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(6*ns+1:7*ns)
|
||||
cs = cs + ns
|
||||
|
||||
case ('rho_sgl_screw_neg')
|
||||
|
|
@ -3072,15 +3132,15 @@ do o = 1_pInt,phase_Noutput(material_phase(g,ip,el))
|
|||
cs = cs + ns
|
||||
|
||||
case ('rho_sgl_screw_neg_mobile')
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoSgl(1:ns,4)
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(3*ns+1:4*ns)
|
||||
cs = cs + ns
|
||||
|
||||
case ('rho_sgl_screw_neg_immobile')
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoSgl(1:ns,8)
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(7*ns+1:8*ns)
|
||||
cs = cs + ns
|
||||
|
||||
case ('rho_dip_screw')
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoDip(1:ns,2)
|
||||
constitutive_nonlocal_postResults(cs+1_pInt:cs+ns) = state(g,ip,el)%p(9*ns+1:10*ns)
|
||||
cs = cs + ns
|
||||
|
||||
case ('excess_rho')
|
||||
|
|
|
|||
Loading…
Reference in New Issue