* added a new material parameter "surfaceTransmissivity" (default value 1.0) which allows to change the transmissivity of the material surface between 0 and 1
* now complaining when encountering an unknown nonlocal parameter in material.config * use same error ID for all material parameters out of bounds * symmetric flux calculation in side dotState can now be omitted (because of new treatment of periodicity) * switching back to "local flux balance" (add leaving and entering fluxes at central MP, don't touch neighbor) instead of "flux distribution" (subtract leaving fluxes from central MP and add them at neighboring MP). This has the advantage that there is almost no need for CRITICAL statements in parallelization, so hopefully this results in some speed up.
This commit is contained in:
Christoph Kords
parent
8f626c8989
commit
24d33bf2ff
12
code/IO.f90
12
code/IO.f90
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@ -1216,19 +1216,13 @@ endfunction
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case (231)
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case (231)
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msg = 'Non-positive prefactor for self-diffusion coefficient'
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msg = 'Non-positive prefactor for self-diffusion coefficient'
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case (232)
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case (232)
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msg = 'Non-positive activation energy for dislocation climb'
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msg = 'Non-positive activation energy'
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case (233)
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case (233)
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msg = 'Non-positive relevant dislocation density'
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msg = 'Non-positive relevant dislocation density'
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case (234)
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msg = 'Negative cutoff radius'
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case (235)
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case (235)
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msg = 'Non-positive attack frequency'
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msg = 'Material parameter in nonlocal constitutive phase out of bounds:'
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case (236)
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case (236)
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msg = 'Non-positive wall depth'
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msg = 'Unknown material parameter in nonlocal constitutive phase:'
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case (237)
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msg = 'Non-positive obstacle strength'
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case (238)
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msg = 'Negative scatter for dislocation density'
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case (240)
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case (240)
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msg = 'Non-positive Taylor factor'
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msg = 'Non-positive Taylor factor'
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case (241)
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case (241)
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@ -63,7 +63,8 @@ real(pReal), dimension(:), allocatable :: constitutive_nonlocal_
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constitutive_nonlocal_tauObs, & ! obstacle strength in Pa
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constitutive_nonlocal_tauObs, & ! obstacle strength in Pa
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constitutive_nonlocal_fattack, & ! attack frequency in Hz
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constitutive_nonlocal_fattack, & ! attack frequency in Hz
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constitutive_nonlocal_vs, & ! maximum dislocation velocity = velocity of sound
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constitutive_nonlocal_vs, & ! maximum dislocation velocity = velocity of sound
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constitutive_nonlocal_rhoSglScatter ! standard deviation of scatter in initial dislocation density
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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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real(pReal), dimension(:,:,:), allocatable :: constitutive_nonlocal_Cslip_66 ! elasticity matrix in Mandel notation for each instance
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real(pReal), dimension(:,:,:), allocatable :: constitutive_nonlocal_Cslip_66 ! elasticity matrix in Mandel notation for each instance
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real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_nonlocal_Cslip_3333 ! elasticity matrix for each instance
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real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_nonlocal_Cslip_3333 ! elasticity matrix for each instance
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real(pReal), dimension(:,:), allocatable :: constitutive_nonlocal_rhoSglEdgePos0, & ! initial edge_pos dislocation density per slip system for each family and instance
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real(pReal), dimension(:,:), allocatable :: constitutive_nonlocal_rhoSglEdgePos0, & ! initial edge_pos dislocation density per slip system for each family and instance
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@ -224,6 +225,7 @@ allocate(constitutive_nonlocal_tauObs(maxNinstance))
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allocate(constitutive_nonlocal_vs(maxNinstance))
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allocate(constitutive_nonlocal_vs(maxNinstance))
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allocate(constitutive_nonlocal_fattack(maxNinstance))
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allocate(constitutive_nonlocal_fattack(maxNinstance))
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allocate(constitutive_nonlocal_rhoSglScatter(maxNinstance))
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allocate(constitutive_nonlocal_rhoSglScatter(maxNinstance))
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allocate(constitutive_nonlocal_surfaceTransmissivity(maxNinstance))
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constitutive_nonlocal_CoverA = 0.0_pReal
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constitutive_nonlocal_CoverA = 0.0_pReal
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constitutive_nonlocal_C11 = 0.0_pReal
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constitutive_nonlocal_C11 = 0.0_pReal
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constitutive_nonlocal_C12 = 0.0_pReal
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constitutive_nonlocal_C12 = 0.0_pReal
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@ -244,6 +246,7 @@ constitutive_nonlocal_tauObs = 0.0_pReal
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constitutive_nonlocal_vs = 0.0_pReal
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constitutive_nonlocal_vs = 0.0_pReal
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constitutive_nonlocal_fattack = 0.0_pReal
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constitutive_nonlocal_fattack = 0.0_pReal
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constitutive_nonlocal_rhoSglScatter = 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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allocate(constitutive_nonlocal_rhoSglEdgePos0(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_rhoSglEdgePos0(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_rhoSglEdgeNeg0(lattice_maxNslipFamily, maxNinstance))
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allocate(constitutive_nonlocal_rhoSglEdgeNeg0(lattice_maxNslipFamily, maxNinstance))
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@ -285,12 +288,15 @@ do
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if (IO_getTag(line,'[',']') /= '') then ! next section
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if (IO_getTag(line,'[',']') /= '') then ! next section
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section = section + 1
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section = section + 1
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output = 0 ! reset output counter
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output = 0 ! reset output counter
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cycle
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endif
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endif
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if (section > 0 .and. phase_constitution(section) == constitutive_nonlocal_label) then ! one of my sections
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if (section > 0 .and. phase_constitution(section) == constitutive_nonlocal_label) then ! one of my sections
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i = phase_constitutionInstance(section) ! which instance of my constitution is present phase
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i = phase_constitutionInstance(section) ! which instance of my constitution is present phase
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positions = IO_stringPos(line,maxNchunks)
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positions = IO_stringPos(line,maxNchunks)
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tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
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tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
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select case(tag)
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select case(tag)
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case('constitution','/nonlocal/')
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cycle
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case ('(output)')
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case ('(output)')
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output = output + 1
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output = output + 1
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constitutive_nonlocal_output(output,i) = IO_lc(IO_stringValue(line,positions,2))
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constitutive_nonlocal_output(output,i) = IO_lc(IO_stringValue(line,positions,2))
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@ -354,6 +360,10 @@ do
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constitutive_nonlocal_fattack(i) = IO_floatValue(line,positions,2)
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constitutive_nonlocal_fattack(i) = IO_floatValue(line,positions,2)
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case('rhosglscatter')
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case('rhosglscatter')
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constitutive_nonlocal_rhoSglScatter(i) = IO_floatValue(line,positions,2)
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constitutive_nonlocal_rhoSglScatter(i) = IO_floatValue(line,positions,2)
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case('surfacetransmissivity')
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constitutive_nonlocal_surfaceTransmissivity(i) = IO_floatValue(line,positions,2)
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case default
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call IO_error(236,ext_msg=tag)
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end select
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end select
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endif
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endif
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enddo
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enddo
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@ -368,36 +378,38 @@ enddo
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!*** sanity checks
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!*** sanity checks
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if (myStructure < 1 .or. myStructure > 3) call IO_error(205)
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if (myStructure < 1 .or. myStructure > 3) call IO_error(205)
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if (sum(constitutive_nonlocal_Nslip(:,i)) <= 0_pInt) call IO_error(225)
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if (sum(constitutive_nonlocal_Nslip(:,i)) <= 0_pInt) call IO_error(235,ext_msg='Nslip')
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do o = 1,maxval(phase_Noutput)
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do o = 1,maxval(phase_Noutput)
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if(len(constitutive_nonlocal_output(o,i)) > 64) call IO_error(666)
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if(len(constitutive_nonlocal_output(o,i)) > 64) call IO_error(666)
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enddo
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enddo
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do f = 1,lattice_maxNslipFamily
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do f = 1,lattice_maxNslipFamily
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if (constitutive_nonlocal_Nslip(f,i) > 0_pInt) then
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if (constitutive_nonlocal_Nslip(f,i) > 0_pInt) then
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if (constitutive_nonlocal_rhoSglEdgePos0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoSglEdgePos0(f,i) < 0.0_pReal) call IO_error(235,ext_msg='rhoSglEdgePos0')
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if (constitutive_nonlocal_rhoSglEdgeNeg0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoSglEdgeNeg0(f,i) < 0.0_pReal) call IO_error(235,ext_msg='rhoSglEdgeNeg0')
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if (constitutive_nonlocal_rhoSglScrewPos0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoSglScrewPos0(f,i) < 0.0_pReal) call IO_error(235,ext_msg='rhoSglScrewPos0')
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if (constitutive_nonlocal_rhoSglScrewNeg0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoSglScrewNeg0(f,i) < 0.0_pReal) call IO_error(235,ext_msg='rhoSglScrewNeg0')
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if (constitutive_nonlocal_rhoDipEdge0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoDipEdge0(f,i) < 0.0_pReal) call IO_error(235,ext_msg='rhoDipEdge0')
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if (constitutive_nonlocal_rhoDipScrew0(f,i) < 0.0_pReal) call IO_error(220)
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if (constitutive_nonlocal_rhoDipScrew0(f,i) < 0.0_pReal) call IO_error(235,ext_msg='rhoDipScrew0')
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if (constitutive_nonlocal_burgersPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(221)
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if (constitutive_nonlocal_burgersPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(235,ext_msg='burgers')
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if (constitutive_nonlocal_lambda0PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(227)
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if (constitutive_nonlocal_lambda0PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(235,ext_msg='lambda0')
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if (constitutive_nonlocal_dLowerEdgePerSlipFamily(f,i) <= 0.0_pReal) call IO_error(228)
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if (constitutive_nonlocal_dLowerEdgePerSlipFamily(f,i) <= 0.0_pReal) call IO_error(235,ext_msg='dDipMinEdge')
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if (constitutive_nonlocal_dLowerScrewPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(228)
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if (constitutive_nonlocal_dLowerScrewPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(235,ext_msg='dDipMinScrew')
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endif
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endif
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enddo
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enddo
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if (any(constitutive_nonlocal_interactionSlipSlip(1:maxval(lattice_interactionSlipSlip(:,:,myStructure)),i) < 0.0_pReal)) &
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if (any(constitutive_nonlocal_interactionSlipSlip(1:maxval(lattice_interactionSlipSlip(:,:,myStructure)),i) < 0.0_pReal)) &
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call IO_error(229)
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call IO_error(235,ext_msg='interaction_SlipSlip')
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if (constitutive_nonlocal_R(i) < 0.0_pReal) call IO_error(234)
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if (constitutive_nonlocal_R(i) < 0.0_pReal) call IO_error(235,ext_msg='r')
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if (constitutive_nonlocal_atomicVolume(i) <= 0.0_pReal) call IO_error(230)
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if (constitutive_nonlocal_atomicVolume(i) <= 0.0_pReal) call IO_error(235,ext_msg='atomicVolume')
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if (constitutive_nonlocal_Dsd0(i) <= 0.0_pReal) call IO_error(231)
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if (constitutive_nonlocal_Dsd0(i) <= 0.0_pReal) call IO_error(235,ext_msg='Dsd0')
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if (constitutive_nonlocal_Qsd(i) <= 0.0_pReal) call IO_error(232)
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if (constitutive_nonlocal_Qsd(i) <= 0.0_pReal) call IO_error(235,ext_msg='Qsd')
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if (constitutive_nonlocal_aTolRho(i) <= 0.0_pReal) call IO_error(233)
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if (constitutive_nonlocal_aTolRho(i) <= 0.0_pReal) call IO_error(235,ext_msg='aTol_rho')
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if (constitutive_nonlocal_d0(i) <= 0.0_pReal) call IO_error(236)
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if (constitutive_nonlocal_d0(i) <= 0.0_pReal) call IO_error(235,ext_msg='d0')
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if (constitutive_nonlocal_tauObs(i) <= 0.0_pReal) call IO_error(237)
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if (constitutive_nonlocal_tauObs(i) <= 0.0_pReal) call IO_error(235,ext_msg='tauObs')
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if (constitutive_nonlocal_vs(i) <= 0.0_pReal) call IO_error(226)
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if (constitutive_nonlocal_vs(i) <= 0.0_pReal) call IO_error(235,ext_msg='vs')
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if (constitutive_nonlocal_fattack(i) <= 0.0_pReal) call IO_error(235)
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if (constitutive_nonlocal_fattack(i) <= 0.0_pReal) call IO_error(235,ext_msg='fAttack')
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if (constitutive_nonlocal_rhoSglScatter(i) < 0.0_pReal) call IO_error(238)
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if (constitutive_nonlocal_rhoSglScatter(i) < 0.0_pReal) call IO_error(235,ext_msg='rhoSglScatter')
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if (constitutive_nonlocal_surfaceTransmissivity(i) < 0.0_pReal &
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.or. constitutive_nonlocal_surfaceTransmissivity(i) > 1.0_pReal) call IO_error(235,ext_msg='surfaceTransmissivity')
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!*** determine total number of active slip systems
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!*** determine total number of active slip systems
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@ -1356,6 +1368,7 @@ integer(pInt) myInstance, & ! current
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n, & ! index of my current neighbor
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n, & ! index of my current neighbor
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neighboring_el, & ! element number of my neighbor
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neighboring_el, & ! element number of my neighbor
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neighboring_ip, & ! integration point of my neighbor
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neighboring_ip, & ! integration point of my neighbor
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neighboring_n, & ! neighbor index pointing to me when looking from my neighbor
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opposite_n, & ! index of my opposite neighbor
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opposite_n, & ! index of my opposite neighbor
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opposite_ip, & ! ip of my opposite neighbor
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opposite_ip, & ! ip of my opposite neighbor
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opposite_el, & ! element index of my opposite neighbor
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opposite_el, & ! element index of my opposite neighbor
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@ -1380,6 +1393,7 @@ real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstan
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previousRhoSgl ! previous single dislocation densities (positive/negative screw and edge without dipoles)
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previousRhoSgl ! previous single dislocation densities (positive/negative screw and edge without dipoles)
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
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fluxdensity, & ! flux density at central material point
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fluxdensity, & ! flux density at central material point
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neighboring_fluxdensity, & ! flux density at neighboring material point
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gdot ! shear rates
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gdot ! shear rates
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
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real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: &
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rhoForest, & ! forest dislocation density
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rhoForest, & ! forest dislocation density
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@ -1397,20 +1411,24 @@ real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstan
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dUpperDot ! rate of change of the maximum stable dipole distance for edges and screws
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dUpperDot ! rate of change of the maximum stable dipole distance for edges and screws
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real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
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real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: &
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m ! direction of dislocation motion
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m ! direction of dislocation motion
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real(pReal), dimension(3,3) :: F, & ! total deformation gradient
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real(pReal), dimension(3,3) :: my_F, & ! my total deformation gradient
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neighboring_F, & ! total deformation gradient of my neighbor
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neighboring_F, & ! total deformation gradient of my neighbor
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my_Fe, & ! my elastic deformation gradient
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neighboring_Fe, & ! elastic deformation gradient of my neighbor
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Favg ! average total deformation gradient of me and my neighbor
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Favg ! average total deformation gradient of me and my neighbor
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real(pReal), dimension(6) :: Tdislocation_v, & ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
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real(pReal), dimension(6) :: Tdislocation_v, & ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
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previousTdislocation_v ! previous dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
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previousTdislocation_v ! previous dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress
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real(pReal), dimension(3) :: surfaceNormal, & ! surface normal in lattice configuration
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real(pReal), dimension(3) :: normal_neighbor2me, & ! interface normal pointing from my neighbor to me in neighbor's lattice configuration
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surfaceNormal_currentconf ! surface normal in current configuration
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normal_neighbor2me_defConf, & ! interface normal pointing from my neighbor to me in shared deformed configuration
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normal_me2neighbor, & ! interface normal pointing from me to my neighbor in my lattice configuration
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normal_me2neighbor_defConf ! interface normal pointing from me to my neighbor in shared deformed configuration
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real(pReal) area, & ! area of the current interface
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real(pReal) area, & ! area of the current interface
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detFe, & ! determinant of elastic defornmation gradient
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transmissivity, & ! overall transmissivity of dislocation flux to neighboring material point
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transmissivity, & ! overall transmissivity of dislocation flux to neighboring material point
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lineLength, & ! dislocation line length leaving the current interface
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lineLength, & ! dislocation line length leaving the current interface
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D, & ! self diffusion
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D, & ! self diffusion
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correction
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correction
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logical, dimension(3) :: periodicSurfaceFlux ! flag indicating periodic fluxes at surfaces when surface normal points mainly in x, y and z direction respectively (in reference configuration)
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logical considerEnteringFlux, &
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considerLeavingFlux
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if (verboseDebugger .and. (debug_g==g .and. debug_i==ip .and. debug_e==el)) then
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if (verboseDebugger .and. (debug_g==g .and. debug_i==ip .and. debug_e==el)) then
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!$OMP CRITICAL (write2out)
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!$OMP CRITICAL (write2out)
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@ -1541,7 +1559,6 @@ where (rhoSgl(1:ns,1:2) > 0.0_pReal) &
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!*** calculate dislocation fluxes (only for nonlocal constitution)
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!*** calculate dislocation fluxes (only for nonlocal constitution)
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rhoDotFlux = 0.0_pReal
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rhoDotFlux = 0.0_pReal
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periodicSurfaceFlux = (/.true.,.false.,.true./)
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if (.not. phase_localConstitution(material_phase(g,ip,el))) then ! only for nonlocal constitution
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if (.not. phase_localConstitution(material_phase(g,ip,el))) then ! only for nonlocal constitution
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@ -1550,100 +1567,111 @@ if (.not. phase_localConstitution(material_phase(g,ip,el))) then
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m(1:3,1:ns,3) = lattice_st(1:3, constitutive_nonlocal_slipSystemLattice(1:ns,myInstance), myStructure)
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m(1:3,1:ns,3) = lattice_st(1:3, constitutive_nonlocal_slipSystemLattice(1:ns,myInstance), myStructure)
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m(1:3,1:ns,4) = -lattice_st(1:3, constitutive_nonlocal_slipSystemLattice(1:ns,myInstance), myStructure)
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m(1:3,1:ns,4) = -lattice_st(1:3, constitutive_nonlocal_slipSystemLattice(1:ns,myInstance), myStructure)
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F = math_mul33x33(Fe(1:3,1:3,g,ip,el), Fp(1:3,1:3,g,ip,el))
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my_Fe = Fe(1:3,1:3,g,ip,el)
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detFe = math_det3x3(Fe(1:3,1:3,g,ip,el))
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my_F = math_mul33x33(my_Fe, Fp(1:3,1:3,g,ip,el))
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fluxdensity = rhoSgl(1:ns,1:4) * constitutive_nonlocal_v(1:ns,1:4,g,ip,el)
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fluxdensity = rhoSgl(1:ns,1:4) * constitutive_nonlocal_v(1:ns,1:4,g,ip,el)
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||||||
|
|
||||||
!if ((debug_g==g .and. debug_i==ip .and. debug_e==el)) write(6,*) '--> dislocation flux <---'
|
|
||||||
do n = 1,FE_NipNeighbors(mesh_element(2,el)) ! loop through my neighbors
|
do n = 1,FE_NipNeighbors(mesh_element(2,el)) ! loop through my neighbors
|
||||||
|
|
||||||
neighboring_el = mesh_ipNeighborhood(1,n,ip,el)
|
neighboring_el = mesh_ipNeighborhood(1,n,ip,el)
|
||||||
neighboring_ip = mesh_ipNeighborhood(2,n,ip,el)
|
neighboring_ip = mesh_ipNeighborhood(2,n,ip,el)
|
||||||
|
if (neighboring_el > 0_pInt .and. neighboring_ip > 0_pInt) then ! if neighbor exists ...
|
||||||
|
do neighboring_n = 1,FE_NipNeighbors(mesh_element(2,neighboring_el)) ! find neighboring index that points from my neighbor to myself
|
||||||
|
if ( el == mesh_ipNeighborhood(1,neighboring_n,neighboring_ip,neighboring_el) &
|
||||||
|
.and. ip == mesh_ipNeighborhood(2,neighboring_n,neighboring_ip,neighboring_el) ) &
|
||||||
|
exit
|
||||||
|
enddo
|
||||||
|
endif
|
||||||
|
|
||||||
opposite_n = n + mod(n,2) - mod(n+1,2)
|
opposite_n = n + mod(n,2) - mod(n+1,2)
|
||||||
opposite_el = mesh_ipNeighborhood(1,opposite_n,ip,el)
|
opposite_el = mesh_ipNeighborhood(1,opposite_n,ip,el)
|
||||||
opposite_ip = mesh_ipNeighborhood(2,opposite_n,ip,el)
|
opposite_ip = mesh_ipNeighborhood(2,opposite_n,ip,el)
|
||||||
|
|
||||||
if ( neighboring_el > 0_pInt .and. neighboring_ip > 0_pInt ) then ! if neighbor exists, average deformation gradient
|
if (neighboring_el > 0_pInt .and. neighboring_ip > 0_pInt) then ! if neighbor exists, average deformation gradient
|
||||||
neighboring_F = math_mul33x33(Fe(1:3,1:3,g,neighboring_ip,neighboring_el), Fp(1:3,1:3,g,neighboring_ip,neighboring_el))
|
neighboring_Fe = Fe(1:3,1:3,g,neighboring_ip,neighboring_el)
|
||||||
Favg = 0.5_pReal * (F + neighboring_F)
|
neighboring_F = math_mul33x33(neighboring_Fe, Fp(1:3,1:3,g,neighboring_ip,neighboring_el))
|
||||||
|
Favg = 0.5_pReal * (my_F + neighboring_F)
|
||||||
else ! if no neighbor, take my value as average
|
else ! if no neighbor, take my value as average
|
||||||
Favg = F
|
Favg = my_F
|
||||||
endif
|
endif
|
||||||
|
|
||||||
surfaceNormal_currentconf = math_det3x3(Favg) * math_mul33x3(math_inv3x3(transpose(Favg)), mesh_ipAreaNormal(1:3,n,ip,el)) ! calculate the normal of the interface in current ...
|
|
||||||
surfaceNormal = math_mul33x3(transpose(Fe(1:3,1:3,g,ip,el)), surfaceNormal_currentconf) / detFe ! ... and lattice configuration
|
|
||||||
area = mesh_ipArea(n,ip,el) * math_norm3(surfaceNormal)
|
|
||||||
surfaceNormal = surfaceNormal / math_norm3(surfaceNormal) ! normalize the surface normal to unit length
|
|
||||||
|
|
||||||
neighboring_rhoDotFlux = 0.0_pReal
|
!* FLUX FROM ME TO MY NEIGHBOR
|
||||||
! if ((debug_g==g .and. debug_i==ip .and. debug_e==el)) write(6,'(a,x,i2)') 'neighbor',n
|
!* This is not considered, if my opposite neighbor has a local constitution.
|
||||||
|
!* Then, we assume, that the opposite(!) neighbor sends an equal amount of dislocations to me.
|
||||||
|
!* So the net flux in the direction of my neighbor is equal to zero:
|
||||||
|
!* leaving flux to neighbor == entering flux from opposite neighbor
|
||||||
|
!* In case of reduced transmissivity, part of the leaving flux is stored as dead dislocation density.
|
||||||
|
!* That means for an interface of zero transmissivity the leaving flux is fully converted to dead dislocations.
|
||||||
|
|
||||||
|
considerLeavingFlux = .true.
|
||||||
|
if (opposite_el > 0 .and. opposite_ip > 0) then
|
||||||
|
if (phase_localConstitution(material_phase(1,opposite_ip,opposite_el))) &
|
||||||
|
considerLeavingFlux = .false.
|
||||||
|
endif
|
||||||
|
|
||||||
|
if (considerLeavingFlux) then
|
||||||
|
normal_me2neighbor_defConf = math_det3x3(Favg) * math_mul33x3(math_inv3x3(transpose(Favg)), mesh_ipAreaNormal(1:3,n,ip,el)) ! calculate the normal of the interface in (average) deformed configuration (pointing from me to my neighbor!!!)
|
||||||
|
normal_me2neighbor = math_mul33x3(transpose(my_Fe), normal_me2neighbor_defConf) / math_det3x3(my_Fe) ! interface normal in my lattice configuration
|
||||||
|
area = mesh_ipArea(n,ip,el) * math_norm3(normal_me2neighbor)
|
||||||
|
normal_me2neighbor = normal_me2neighbor / math_norm3(normal_me2neighbor) ! normalize the surface normal to unit length
|
||||||
|
do s = 1,ns
|
||||||
|
do t = 1,4
|
||||||
|
c = (t + 1) / 2
|
||||||
|
if (fluxdensity(s,t) * math_mul3x3(m(1:3,s,t), normal_me2neighbor) > 0.0_pReal ) then ! flux from me to my neighbor == leaving flux for me (might also be a pure flux from my mobile density to dead density if interface not at all transmissive)
|
||||||
|
lineLength = fluxdensity(s,t) * math_mul3x3(m(1:3,s,t), normal_me2neighbor) * area ! positive line length that wants to leave through this interface
|
||||||
|
transmissivity = sum(constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el)**2.0_pReal) ! overall transmissivity from this slip system to my neighbor
|
||||||
|
rhoDotFlux(s,t) = rhoDotFlux(s,t) - lineLength / mesh_ipVolume(ip,el) ! subtract dislocation flux from current mobile type
|
||||||
|
rhoDotFlux(s,t+4) = rhoDotFlux(s,t+4) + lineLength / mesh_ipVolume(ip,el) * (1.0_pReal - transmissivity) &
|
||||||
|
* sign(1.0_pReal, fluxdensity(s,t)) ! dislocation flux that is not able to leave through interface (because of low transmissivity) will remain as immobile single density at the material point
|
||||||
|
endif
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
endif
|
||||||
|
|
||||||
|
|
||||||
|
!* FLUX FROM MY NEIGHBOR TO ME
|
||||||
|
!* This is only considered, if I have a neighbor of nonlocal constitution that is at least a little bit compatible.
|
||||||
|
!* If it's not at all compatible, no flux is arriving, because everything is dammed in front of my neighbor's interface.
|
||||||
|
!* The entering flux from my neighbor will be distributed on my slip systems according to the compatibility
|
||||||
|
|
||||||
|
considerEnteringFlux = .false.
|
||||||
|
if (neighboring_el > 0_pInt .or. neighboring_ip > 0_pInt) then
|
||||||
|
if (.not. phase_localConstitution(material_phase(1,neighboring_ip,neighboring_el)) &
|
||||||
|
.and. any(constitutive_nonlocal_compatibility(:,:,:,n,ip,el) > 0.0_pReal)) &
|
||||||
|
considerEnteringFlux = .true.
|
||||||
|
endif
|
||||||
|
|
||||||
|
if (considerEnteringFlux) then
|
||||||
|
forall (t = 1:4) &
|
||||||
|
neighboring_fluxdensity(1:ns,t) = state(g,neighboring_ip,neighboring_el)%p((t-1)*ns+1:t*ns) &
|
||||||
|
* constitutive_nonlocal_v(1:ns,t,g,neighboring_ip,neighboring_el)
|
||||||
|
normal_neighbor2me_defConf = math_det3x3(Favg) &
|
||||||
|
* math_mul33x3(math_inv3x3(transpose(Favg)), mesh_ipAreaNormal(1:3,neighboring_n,neighboring_ip,neighboring_el)) ! calculate the normal of the interface in (average) deformed configuration (now pointing from my neighbor to me!!!)
|
||||||
|
normal_neighbor2me = math_mul33x3(transpose(neighboring_Fe), normal_neighbor2me_defConf) / math_det3x3(neighboring_Fe) ! interface normal in the lattice configuration of my neighbor
|
||||||
|
area = mesh_ipArea(neighboring_n,neighboring_ip,neighboring_el) * math_norm3(normal_neighbor2me)
|
||||||
|
normal_neighbor2me = normal_neighbor2me / math_norm3(normal_neighbor2me) ! normalize the surface normal to unit length
|
||||||
do s = 1,ns
|
do s = 1,ns
|
||||||
! if ((debug_g==g .and. debug_i==ip .and. debug_e==el)) write(6,'(a,x,i2)') ' system',s
|
|
||||||
do t = 1,4
|
do t = 1,4
|
||||||
! if ((debug_g==g .and. debug_i==ip .and. debug_e==el)) write(6,'(a,x,i2)') ' type',t
|
|
||||||
c = (t + 1) / 2
|
c = (t + 1) / 2
|
||||||
topp = t + mod(t,2) - mod(t+1,2)
|
topp = t + mod(t,2) - mod(t+1,2)
|
||||||
|
if (neighboring_fluxdensity(s,t) * math_mul3x3(m(1:3,s,t), normal_neighbor2me) > 0.0_pReal) then ! flux from my neighbor to me == entering flux for me
|
||||||
if ( abs(math_mul3x3(m(1:3,s,t),surfaceNormal)) > 0.01_pReal &
|
lineLength = neighboring_fluxdensity(s,t) * math_mul3x3(m(1:3,s,t), normal_neighbor2me) * area ! positive line length that wants to enter through this interface
|
||||||
.and. fluxdensity(s,t) * math_mul3x3(m(1:3,s,t),surfaceNormal) > 0.0_pReal ) then ! outgoing flux
|
where (constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el) > 0.0_pReal) & ! positive compatibility...
|
||||||
|
rhoDotFlux(1:ns,t) = rhoDotFlux(1:ns,t) + lineLength / mesh_ipVolume(ip,el) & ! ... transferring to equally signed dislocation type
|
||||||
lineLength = fluxdensity(s,t) * math_mul3x3(m(1:3,s,t),surfaceNormal) * area ! line length that wants to leave thrugh this interface
|
|
||||||
|
|
||||||
if (opposite_el > 0 .and. opposite_ip > 0) then ! opposite neighbor is present...
|
|
||||||
if (.not. phase_localConstitution(material_phase(1,opposite_ip,opposite_el))) then ! and is of nonlocal constitution (if it's not, then we assume, that the neighbor sends an equal amount of dislocations)...
|
|
||||||
rhoDotFlux(s,t) = rhoDotFlux(s,t) - lineLength / mesh_ipVolume(ip,el) ! subtract dislocation flux from current mobile type
|
|
||||||
! if ((debug_g==g .and. debug_i==ip .and. debug_e==el)) write(6,'(a,x,e12.5)') ' outgoing flux:', lineLength / mesh_ipVolume(ip,el)
|
|
||||||
endif
|
|
||||||
else ! if free surface on opposite surface...
|
|
||||||
if (.not. all(periodicSurfaceFlux(maxloc(abs(mesh_ipAreaNormal(1:3,opposite_n,ip,el))))) ) then ! has no enforced symmetry...
|
|
||||||
rhoDotFlux(s,t) = rhoDotFlux(s,t) - lineLength / mesh_ipVolume(ip,el) ! subtract dislocation flux from current mobile type
|
|
||||||
! if ((debug_g==g .and. debug_i==ip .and. debug_e==el)) write(6,'(a,x,e12.5)') ' outgoing flux:', lineLength / mesh_ipVolume(ip,el)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
rhoDotFlux(s,t+4) = rhoDotFlux(s,t+4) + lineLength / mesh_ipVolume(ip,el) &
|
|
||||||
* (1.0_pReal - sum(constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el)**2.0_pReal)) &
|
|
||||||
* sign(1.0_pReal, fluxdensity(s,t)) ! dislocation flux that is not able to leave through interface (because of low transmissivity) will remain as immobile single density at the material point
|
|
||||||
|
|
||||||
if (neighboring_el > 0 .and. neighboring_ip > 0) then ! neighbor present...
|
|
||||||
if ( .not. phase_localConstitution(material_phase(1,neighboring_ip,neighboring_el))) then ! and is of nonlocal constitution
|
|
||||||
where (constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el) > 0.0_pReal) & ! ..positive compatibility
|
|
||||||
neighboring_rhoDotFlux(1:ns,t) = neighboring_rhoDotFlux(1:ns,t) & ! ....transferring to equally signed dislocation type at neighbor
|
|
||||||
+ lineLength / mesh_ipVolume(neighboring_ip,neighboring_el) &
|
|
||||||
* constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el) ** 2.0_pReal
|
* constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el) ** 2.0_pReal
|
||||||
where (constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el) < 0.0_pReal) & ! ..negative compatibility
|
where (constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el) < 0.0_pReal) & ! ..negative compatibility...
|
||||||
neighboring_rhoDotFlux(1:ns,topp) = neighboring_rhoDotFlux(1:ns,topp) & ! ....transferring to opposite signed dislocation type at neighbor
|
rhoDotFlux(1:ns,topp) = rhoDotFlux(1:ns,topp) + lineLength / mesh_ipVolume(ip,el) & ! ... transferring to opposite signed dislocation type
|
||||||
+ lineLength / mesh_ipVolume(neighboring_ip,neighboring_el) &
|
|
||||||
* constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el) ** 2.0_pReal
|
* constitutive_nonlocal_compatibility(c,1:ns,s,n,ip,el) ** 2.0_pReal
|
||||||
! if ((debug_g==g .and. debug_i==ip .and. debug_e==el)) write(6,'(a,x,e12.5)') ' entering flux at neighbor:', lineLength / mesh_ipVolume(ip,el) &
|
|
||||||
! * sum(constitutive_nonlocal_compatibility(c,:,s,n,ip,el) ** 2.0_pReal)
|
|
||||||
endif
|
endif
|
||||||
endif
|
enddo
|
||||||
|
enddo
|
||||||
endif
|
|
||||||
|
|
||||||
enddo ! dislocation type loop
|
|
||||||
enddo ! slip system loop
|
|
||||||
|
|
||||||
if (any(abs(neighboring_rhoDotFlux) > 10.0_pReal)) then ! only significant density change in neighbor is considered
|
|
||||||
!$OMP CRITICAL (fluxes)
|
|
||||||
constitutive_nonlocal_rhoDotFlux(1:ns,1:10,g,neighboring_ip,neighboring_el) = &
|
|
||||||
constitutive_nonlocal_rhoDotFlux(1:ns,1:10,g,neighboring_ip,neighboring_el) + neighboring_rhoDotFlux
|
|
||||||
dotState(g,neighboring_ip,neighboring_el)%p(1:10*ns) = &
|
|
||||||
dotState(g,neighboring_ip,neighboring_el)%p(1:10*ns) + reshape(neighboring_rhoDotFlux,(/10*ns/))
|
|
||||||
!$OMP END CRITICAL (fluxes)
|
|
||||||
else
|
|
||||||
neighboring_rhoDotFlux = 0.0_pReal
|
|
||||||
endif
|
endif
|
||||||
|
|
||||||
enddo ! neighbor loop
|
enddo ! neighbor loop
|
||||||
|
|
||||||
if (any(abs(rhoDotFlux) > 0.0_pReal)) then
|
|
||||||
!$OMP CRITICAL (fluxes)
|
|
||||||
constitutive_nonlocal_rhoDotFlux(1:ns,1:10,g,ip,el) = constitutive_nonlocal_rhoDotFlux(1:ns,1:10,g,ip,el) + rhoDotFlux
|
constitutive_nonlocal_rhoDotFlux(1:ns,1:10,g,ip,el) = constitutive_nonlocal_rhoDotFlux(1:ns,1:10,g,ip,el) + rhoDotFlux
|
||||||
!$OMP END CRITICAL (fluxes)
|
|
||||||
endif
|
|
||||||
|
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue