added relativistic correction of velocity (maximum velocity given by parameter in material.config); probability of thermal activation in velocity law not allowed to be greater than one.
output of creation rate for edge jogs now for own system, not collinear. check for negative densities in dotState now uses absoluteToleranceRho instead of significantRho.
This commit is contained in:
Christoph Kords
parent
801c0380b6
commit
d80b45c1d9
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@ -285,6 +285,7 @@ viscosity 1e-4 # viscosity for dislocation gli
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p 1 # exponent for thermal barrier profile
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q 1 # exponent for thermal barrier profile
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attackFrequency 50e9 # attack frequency in Hz
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maximumVelocity 3600 # maximum allowed velocity
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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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interaction_SlipSlip 0 0 0.625 0.07 0.137 0.122 # Dislocation interaction coefficient
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@ -125,6 +125,7 @@ constitutive_nonlocal_p, & ! parameter
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constitutive_nonlocal_q, & ! parameter for kinetic law (Kocks,Argon,Ashby)
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constitutive_nonlocal_viscosity, & ! viscosity for dislocation glide in Pa s
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constitutive_nonlocal_fattack, & ! attack frequency in Hz
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constitutive_nonlocal_vmax, & ! maximum allowed velocity
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constitutive_nonlocal_rhoSglScatter, & ! standard deviation of scatter in initial dislocation density
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constitutive_nonlocal_surfaceTransmissivity, & ! transmissivity at free surface
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constitutive_nonlocal_grainboundaryTransmissivity, & ! transmissivity at grain boundary (identified by different texture)
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@ -330,6 +331,7 @@ allocate(constitutive_nonlocal_p(maxNinstance))
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allocate(constitutive_nonlocal_q(maxNinstance))
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allocate(constitutive_nonlocal_viscosity(maxNinstance))
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allocate(constitutive_nonlocal_fattack(maxNinstance))
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allocate(constitutive_nonlocal_vmax(maxNinstance))
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allocate(constitutive_nonlocal_rhoSglScatter(maxNinstance))
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allocate(constitutive_nonlocal_surfaceTransmissivity(maxNinstance))
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allocate(constitutive_nonlocal_grainboundaryTransmissivity(maxNinstance))
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@ -359,6 +361,7 @@ constitutive_nonlocal_p = 1.0_pReal
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constitutive_nonlocal_q = 1.0_pReal
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constitutive_nonlocal_viscosity = 0.0_pReal
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constitutive_nonlocal_fattack = 0.0_pReal
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constitutive_nonlocal_vmax = 0.0_pReal
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constitutive_nonlocal_rhoSglScatter = 0.0_pReal
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constitutive_nonlocal_surfaceTransmissivity = 1.0_pReal
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constitutive_nonlocal_grainboundaryTransmissivity = -1.0_pReal
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@ -501,6 +504,8 @@ do
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constitutive_nonlocal_viscosity(i) = IO_floatValue(line,positions,2_pInt)
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case('attackfrequency','fattack')
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constitutive_nonlocal_fattack(i) = IO_floatValue(line,positions,2_pInt)
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case('maximumvelocity','vmax')
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constitutive_nonlocal_vmax(i) = IO_floatValue(line,positions,2_pInt)
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case('rhosglscatter')
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constitutive_nonlocal_rhoSglScatter(i) = IO_floatValue(line,positions,2_pInt)
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case('surfacetransmissivity')
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@ -597,6 +602,8 @@ enddo
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//constitutive_nonlocal_label//')')
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if (constitutive_nonlocal_fattack(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='attackFrequency (' &
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//constitutive_nonlocal_label//')')
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if (constitutive_nonlocal_vmax(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='maximumVelocity (' &
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//constitutive_nonlocal_label//')')
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if (constitutive_nonlocal_rhoSglScatter(i) < 0.0_pReal) call IO_error(211_pInt,ext_msg='rhoSglScatter (' &
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//constitutive_nonlocal_label//')')
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if (constitutive_nonlocal_surfaceTransmissivity(i) < 0.0_pReal &
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@ -1387,12 +1394,16 @@ if (Temperature > 0.0_pReal) then
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activationVolume_P = activationLength_P * jumpWidth_P * constitutive_nonlocal_burgers(s,instance)
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criticalStress_P = constitutive_nonlocal_peierlsStress(s,c,instance)
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activationEnergy_P = criticalStress_P * activationVolume_P
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tauRel_P = tauEff(s) / criticalStress_P
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tauRel_P = min(1.0_pReal, tauEff(s) / criticalStress_P) ! ensure that the activation probability cannot become greater than one
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tPeierls = 1.0_pReal / constitutive_nonlocal_fattack(instance) &
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* exp(activationEnergy_P / (kB * Temperature) * (1.0_pReal - tauRel_P**p)**q)
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if (present(dv_dtau)) then
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if (tauEff(s) < criticalStress_P) then
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dtPeierls_dtau = tPeierls * p * q * activationVolume_P / (kB * Temperature) &
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* (1.0_pReal - tauRel_P**p)**(q-1.0_pReal) * tauRel_P**(p-1.0_pReal)
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else
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dtPeierls_dtau = 0.0_pReal
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endif
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endif
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@ -1406,12 +1417,16 @@ if (Temperature > 0.0_pReal) then
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activationVolume_S = activationLength_S * jumpWidth_S * constitutive_nonlocal_burgers(s,instance)
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activationEnergy_S = constitutive_nonlocal_solidSolutionEnergy(instance)
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criticalStress_S = activationEnergy_S / activationVolume_S
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tauRel_S = tauEff(s) / criticalStress_S
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tauRel_S = min(1.0_pReal, tauEff(s) / criticalStress_S) ! ensure that the activation probability cannot become greater than one
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tSolidSolution = 1.0_pReal / constitutive_nonlocal_fattack(instance) &
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* exp(activationEnergy_S / (kB * Temperature) * (1.0_pReal - tauRel_S**p)**q)
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if (present(dv_dtau)) then
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if (tauEff(s) < criticalStress_S) then
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dtSolidSolution_dtau = tSolidSolution * p * q * activationVolume_S / (kB * Temperature) &
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* (1.0_pReal - tauRel_S**p)**(q-1.0_pReal) * tauRel_S**(p-1.0_pReal)
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else
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dtSolidSolution_dtau = 0.0_pReal
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endif
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endif
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@ -1427,15 +1442,26 @@ if (Temperature > 0.0_pReal) then
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v(s) = 1.0_pReal / (tPeierls / meanfreepath_P + tSolidSolution / meanfreepath_S + 1.0_pReal / vViscous) &
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* (1.0_pReal - exp(-tauEff(s) * activationVolume_P / (kB * Temperature)))
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v(s) = sign(v(s),tau(s))
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if (present(dv_dtau)) then
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dv_dtau(s) = 1.0_pReal / (tPeierls / meanfreepath_P + tSolidSolution / meanfreepath_S + 1.0_pReal / vViscous) &
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* (abs(v(s)) * ( dtPeierls_dtau / meanfreepath_P &
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+ dtSolidSolution_dtau / meanfreepath_S &
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* (v(s) * ( dtPeierls_dtau / meanfreepath_P + dtSolidSolution_dtau / meanfreepath_S &
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+ 1.0_pReal / (mobility * tauEff(s)*tauEff(s))) &
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+ activationVolume_P / (kB * Temperature) * exp(-tauEff(s) * activationVolume_P / (kB * Temperature)))
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endif
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!* relativistic correction
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if (present(dv_dtau)) then
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dv_dtau(s) = dv_dtau(s) * exp( -v(s) / constitutive_nonlocal_vmax(instance))
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endif
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v(s) = constitutive_nonlocal_vmax(instance) * (1.0_pReal - exp( -v(s) / constitutive_nonlocal_vmax(instance)))
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!* adopt sign from resolved stress
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v(s) = sign(v(s),tau(s))
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endif
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enddo
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endif
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@ -2244,8 +2270,7 @@ if (numerics_integrationMode == 1_pInt) then
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constitutive_nonlocal_rhoDotSingle2DipoleGlide(1:ns,1:2,g,ip,el) = rhoDotSingle2DipoleGlide(1:ns,9:10)
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constitutive_nonlocal_rhoDotAthermalAnnihilation(1:ns,1:2,g,ip,el) = rhoDotAthermalAnnihilation(1:ns,9:10)
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constitutive_nonlocal_rhoDotThermalAnnihilation(1:ns,1:2,g,ip,el) = rhoDotThermalAnnihilation(1:ns,9:10)
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constitutive_nonlocal_rhoDotEdgeJogs(1:ns,g,ip,el) = &
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2.0_pReal * rhoDotThermalAnnihilation(constitutive_nonlocal_colinearSystem(1:ns,myInstance),1)
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constitutive_nonlocal_rhoDotEdgeJogs(1:ns,g,ip,el) = 2.0_pReal * rhoDotThermalAnnihilation(1:ns,1)
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endif
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@ -2269,8 +2294,8 @@ 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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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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