moved some phase field parameters to lattice

code/hydrogenflux_cahnhilliard.f90

@@ -24,10 +24,6 @@ module hydrogenflux_cahnhilliard
  integer(pInt),                       dimension(:),           allocatable, target, public :: &
    hydrogenflux_cahnhilliard_Noutput                                                                   !< number of outputs per instance of this damage 
 
- real(pReal),                         dimension(:),           allocatable,        private :: &
-   hydrogenflux_cahnhilliard_formationEnergyCoeff, &
-   hydrogenflux_cahnhilliard_kBCoeff
-
  real(pReal),                                                 parameter,           private :: &
    kB = 1.3806488e-23_pReal                                                                          !< Boltzmann constant in J/Kelvin
 
@@ -71,8 +67,6 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
    IO_error, &
    IO_timeStamp, &
    IO_EOF
- use lattice, only: &
-   lattice_hydrogenVol
  use material, only: &
    hydrogenflux_type, &
    hydrogenflux_typeInstance, &
@@ -80,7 +74,6 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
    HYDROGENFLUX_cahnhilliard_label, &
    HYDROGENFLUX_cahnhilliard_ID, &
    material_homog, &  
-   material_Nphase, &
    mappingHomogenization, &
    hydrogenfluxState, &
    hydrogenfluxMapping, &
@@ -120,9 +113,6 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
  allocate(hydrogenflux_cahnhilliard_outputID       (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID)
  allocate(hydrogenflux_cahnhilliard_Noutput        (maxNinstance),                               source=0_pInt) 
 
- allocate(hydrogenflux_cahnhilliard_kBCoeff                (material_Nphase),             source=0.0_pReal)
- allocate(hydrogenflux_cahnhilliard_formationEnergyCoeff(material_Nphase),             source=0.0_pReal) 
-
  rewind(fileUnit)
  section = 0_pInt
  do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization)! wind forward to <homogenization>
@@ -166,30 +156,6 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
    line = IO_read(fileUnit)
  enddo
  
- parsingPhase: do while (trim(line) /= IO_EOF)                                                      ! read through sections of homog part
-   line = IO_read(fileUnit)
-   if (IO_isBlank(line)) cycle                                                                      ! skip empty lines
-   if (IO_getTag(line,'<','>') /= '') then                                                          ! stop at next part
-     line = IO_read(fileUnit, .true.)                                                               ! reset IO_read
-     exit                                                                                           
-   endif   
-   if (IO_getTag(line,'[',']') /= '') then                                                          ! next homog section
-     section = section + 1_pInt                                                                     ! advance homog section counter
-     cycle                                                                                          ! skip to next line
-   endif
-
-   if (section > 0_pInt ) then; if (hydrogenflux_type(section) == HYDROGENFLUX_cahnhilliard_ID) then  ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
-
-     positions = IO_stringPos(line,MAXNCHUNKS)
-     tag = IO_lc(IO_stringValue(line,positions,1_pInt))                                             ! extract key
-     select case(tag)
-       case ('hydrogenformationenergy')
-         hydrogenflux_cahnhilliard_formationEnergyCoeff(section) = IO_floatValue(line,positions,2_pInt)
-
-     end select
-   endif; endif
- enddo parsingPhase
- 
  initializeInstances: do section = 1_pInt, size(hydrogenflux_type)
    if (hydrogenflux_type(section) == HYDROGENFLUX_cahnhilliard_ID) then
      NofMyHomog=count(material_homog==section)
@@ -228,15 +194,6 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
  
  enddo initializeInstances
  
- initializeParams: do section = 1_pInt, material_Nphase
-   hydrogenflux_cahnhilliard_kBCoeff(section) = &
-     kB/ &
-     hydrogenflux_cahnhilliard_formationEnergyCoeff(section)       
-   hydrogenflux_cahnhilliard_formationEnergyCoeff(section) = &
-     hydrogenflux_cahnhilliard_formationEnergyCoeff(section)/ &
-     lattice_hydrogenVol(section)
- enddo initializeParams
-
 end subroutine hydrogenflux_cahnhilliard_init
 
 !--------------------------------------------------------------------------------------------------
@@ -313,6 +270,10 @@ end function hydrogenflux_cahnhilliard_getDiffusion33
 !> @brief returns homogenized solution energy
 !--------------------------------------------------------------------------------------------------
 function hydrogenflux_cahnhilliard_getFormationEnergy(ip,el)
+ use lattice, only: &
+   lattice_hydrogenFormationEnergy, &
+   lattice_hydrogenVol, &
+   lattice_hydrogenSurfaceEnergy
  use material, only: &
    homogenization_Ngrains, &
    material_phase
@@ -331,7 +292,9 @@ function hydrogenflux_cahnhilliard_getFormationEnergy(ip,el)
  hydrogenflux_cahnhilliard_getFormationEnergy = 0.0_pReal
  do grain = 1, homogenization_Ngrains(mesh_element(3,el))
    hydrogenflux_cahnhilliard_getFormationEnergy = hydrogenflux_cahnhilliard_getFormationEnergy + &
-    hydrogenflux_cahnhilliard_formationEnergyCoeff(material_phase(grain,ip,el))
+    lattice_hydrogenFormationEnergy(material_phase(grain,ip,el))/ &
+    lattice_hydrogenVol(material_phase(grain,ip,el))/ &
+    lattice_hydrogenSurfaceEnergy(material_phase(grain,ip,el))
  enddo
 
  hydrogenflux_cahnhilliard_getFormationEnergy = &
@@ -344,6 +307,9 @@ end function hydrogenflux_cahnhilliard_getFormationEnergy
 !> @brief returns homogenized hydrogen entropy coefficient
 !--------------------------------------------------------------------------------------------------
 function hydrogenflux_cahnhilliard_getEntropicCoeff(ip,el)
+ use lattice, only: &
+   lattice_hydrogenVol, &
+   lattice_hydrogenSurfaceEnergy
  use material, only: &
    homogenization_Ngrains, &
    material_homog, &
@@ -363,7 +329,9 @@ function hydrogenflux_cahnhilliard_getEntropicCoeff(ip,el)
  hydrogenflux_cahnhilliard_getEntropicCoeff = 0.0_pReal
  do grain = 1, homogenization_Ngrains(material_homog(ip,el))
    hydrogenflux_cahnhilliard_getEntropicCoeff = hydrogenflux_cahnhilliard_getEntropicCoeff + &
-    hydrogenflux_cahnhilliard_kBCoeff(material_phase(grain,ip,el))
+    kB/ &
+    lattice_hydrogenVol(material_phase(grain,ip,el))/ &
+    lattice_hydrogenSurfaceEnergy(material_phase(grain,ip,el))
  enddo
 
  hydrogenflux_cahnhilliard_getEntropicCoeff = &
@@ -377,6 +345,8 @@ end function hydrogenflux_cahnhilliard_getEntropicCoeff
 !> @brief returns homogenized kinematic contribution to chemical potential
 !--------------------------------------------------------------------------------------------------
 subroutine hydrogenflux_cahnhilliard_KinematicChemPotAndItsTangent(KPot, dKPot_dCh, Ch, ip, el)
+ use lattice, only: &
+   lattice_hydrogenSurfaceEnergy
  use material, only: &
    homogenization_Ngrains, &
    material_homog, &
@@ -421,8 +391,8 @@ subroutine hydrogenflux_cahnhilliard_KinematicChemPotAndItsTangent(KPot, dKPot_d
          my_dKPot_dCh = 0.0_pReal
      
      end select
-     KPot = KPot + my_KPot/hydrogenflux_cahnhilliard_formationEnergyCoeff(material_phase(grain,ip,el))
+     KPot = KPot + my_KPot/lattice_hydrogenSurfaceEnergy(material_phase(grain,ip,el))
-     dKPot_dCh = dKPot_dCh + my_dKPot_dCh/hydrogenflux_cahnhilliard_formationEnergyCoeff(material_phase(grain,ip,el))
+     dKPot_dCh = dKPot_dCh + my_dKPot_dCh/lattice_hydrogenSurfaceEnergy(material_phase(grain,ip,el))
    enddo
  enddo 
  
@@ -453,7 +423,7 @@ subroutine hydrogenflux_cahnhilliard_getChemPotAndItsTangent(ChemPot,dChemPot_dC
  integer(pInt) :: &
    o  
   
- ChemPot = 1.0_pReal
+ ChemPot = hydrogenflux_cahnhilliard_getFormationEnergy(ip,el)
  dChemPot_dCh = 0.0_pReal
  kBT = hydrogenflux_cahnhilliard_getEntropicCoeff(ip,el)
  do o = 1_pInt, hydrogenPolyOrder

code/lattice.f90

@@ -840,7 +840,11 @@ module lattice
    lattice_porosityMobility, &
    lattice_massDensity, &
    lattice_specificHeat, &
+   lattice_vacancyFormationEnergy, &
+   lattice_vacancySurfaceEnergy, &
    lattice_vacancyVol, &
+   lattice_hydrogenFormationEnergy, &
+   lattice_hydrogenSurfaceEnergy, &
    lattice_hydrogenVol, &
    lattice_referenceTemperature, &
    lattice_equilibriumVacancyConcentration
@@ -1116,7 +1120,11 @@ subroutine lattice_init
  allocate(lattice_PorosityMobility       (    Nphases), source=0.0_pReal)
  allocate(lattice_massDensity            (    Nphases), source=0.0_pReal)
  allocate(lattice_specificHeat           (    Nphases), source=0.0_pReal)
+ allocate(lattice_vacancyFormationEnergy (    Nphases), source=0.0_pReal)
+ allocate(lattice_vacancySurfaceEnergy   (    Nphases), source=0.0_pReal)
  allocate(lattice_vacancyVol             (    Nphases), source=0.0_pReal)
+ allocate(lattice_hydrogenFormationEnergy(    Nphases), source=0.0_pReal)
+ allocate(lattice_hydrogenSurfaceEnergy  (    Nphases), source=0.0_pReal)
  allocate(lattice_hydrogenVol            (    Nphases), source=0.0_pReal)
  allocate(lattice_referenceTemperature   (    Nphases), source=0.0_pReal)
  allocate(lattice_equilibriumVacancyConcentration(Nphases), source=0.0_pReal)
@@ -1244,8 +1252,16 @@ subroutine lattice_init
        lattice_thermalExpansion33(3,3,section) = IO_floatValue(line,positions,2_pInt)
      case ('specific_heat')
        lattice_specificHeat(section) = IO_floatValue(line,positions,2_pInt)
+     case ('vacancyformationenergy')
+       lattice_vacancyFormationEnergy(section) = IO_floatValue(line,positions,2_pInt)
+     case ('vacancysurfaceenergy')
+       lattice_vacancySurfaceEnergy(section) = IO_floatValue(line,positions,2_pInt)
      case ('vacancyvolume')
        lattice_vacancyVol(section) = IO_floatValue(line,positions,2_pInt)
+     case ('hydrogenformationenergy')
+       lattice_hydrogenFormationEnergy(section) = IO_floatValue(line,positions,2_pInt)
+     case ('hydrogensurfaceenergy')
+       lattice_hydrogenSurfaceEnergy(section) = IO_floatValue(line,positions,2_pInt)
      case ('hydrogenvolume')
        lattice_hydrogenVol(section) = IO_floatValue(line,positions,2_pInt)
      case ('mass_density')

code/porosity_phasefield.f90

@@ -24,10 +24,6 @@ module porosity_phasefield
  integer(pInt),                       dimension(:),           allocatable, target, public :: &
    porosity_phasefield_Noutput                                                                   !< number of outputs per instance of this porosity 
 
- real(pReal),                         dimension(:),           allocatable,        private :: &
-   porosity_phasefield_specificFormationEnergy, &
-   porosity_phasefield_surfaceEnergy
-
  enum, bind(c) 
    enumerator :: undefined_ID, &
                  porosity_ID
@@ -68,8 +64,6 @@ subroutine porosity_phasefield_init(fileUnit)
    IO_error, &
    IO_timeStamp, &
    IO_EOF
- use lattice, only: &
-   lattice_vacancyVol
  use material, only: &
    porosity_type, &
    porosity_typeInstance, &
@@ -77,7 +71,6 @@ subroutine porosity_phasefield_init(fileUnit)
    POROSITY_phasefield_label, &
    POROSITY_phasefield_ID, &
    material_homog, & 
-   material_Nphase, &
    mappingHomogenization, & 
    porosityState, &
    porosityMapping, &
@@ -115,8 +108,6 @@ subroutine porosity_phasefield_init(fileUnit)
           porosity_phasefield_output = ''
  allocate(porosity_phasefield_outputID       (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID)
  allocate(porosity_phasefield_Noutput        (maxNinstance),                               source=0_pInt) 
- allocate(porosity_phasefield_specificFormationEnergy(material_Nphase),             source=0.0_pReal) 
- allocate(porosity_phasefield_surfaceEnergy          (material_Nphase),             source=0.0_pReal)
 
  rewind(fileUnit)
  section = 0_pInt
@@ -155,40 +146,6 @@ subroutine porosity_phasefield_init(fileUnit)
    endif; endif
  enddo parsingHomog
  
- rewind(fileUnit)
- section = 0_pInt
- do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase)         ! wind forward to <homogenization>
-   line = IO_read(fileUnit)
- enddo
- 
- parsingPhase: do while (trim(line) /= IO_EOF)                                                      ! read through sections of homog part
-   line = IO_read(fileUnit)
-   if (IO_isBlank(line)) cycle                                                                      ! skip empty lines
-   if (IO_getTag(line,'<','>') /= '') then                                                          ! stop at next part
-     line = IO_read(fileUnit, .true.)                                                               ! reset IO_read
-     exit                                                                                           
-   endif   
-   if (IO_getTag(line,'[',']') /= '') then                                                          ! next homog section
-     section = section + 1_pInt                                                                     ! advance homog section counter
-     cycle                                                                                          ! skip to next line
-   endif
-
-   if (section > 0_pInt ) then; if (porosity_type(section) == POROSITY_phasefield_ID) then          ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
-
-     positions = IO_stringPos(line,MAXNCHUNKS)
-     tag = IO_lc(IO_stringValue(line,positions,1_pInt))                                             ! extract key
-     select case(tag)
-       case ('vacancyformationenergy')
-         porosity_phasefield_specificFormationEnergy(section) = IO_floatValue(line,positions,2_pInt)/&
-                                                                lattice_vacancyVol(section)
-
-       case ('voidsurfaceenergy')
-         porosity_phasefield_surfaceEnergy(section) = IO_floatValue(line,positions,2_pInt)
-
-     end select
-   endif; endif
- enddo parsingPhase
- 
  initializeInstances: do section = 1_pInt, size(porosity_type)
    if (porosity_type(section) == POROSITY_phasefield_ID) then
      NofMyHomog=count(material_homog==section)
@@ -230,6 +187,9 @@ end subroutine porosity_phasefield_init
 !> @brief returns homogenized vacancy formation energy
 !--------------------------------------------------------------------------------------------------
 function porosity_phasefield_getFormationEnergy(ip,el)
+ use lattice, only: &
+   lattice_vacancyFormationEnergy, &
+   lattice_vacancyVol
  use material, only: &
    homogenization_Ngrains, &
    material_phase
@@ -248,7 +208,8 @@ function porosity_phasefield_getFormationEnergy(ip,el)
  porosity_phasefield_getFormationEnergy = 0.0_pReal
  do grain = 1, homogenization_Ngrains(mesh_element(3,el))
    porosity_phasefield_getFormationEnergy = porosity_phasefield_getFormationEnergy + &
-    porosity_phasefield_specificFormationEnergy(material_phase(grain,ip,el))
+    lattice_vacancyFormationEnergy(material_phase(grain,ip,el))/ &
+    lattice_vacancyVol(material_phase(grain,ip,el))
  enddo
 
  porosity_phasefield_getFormationEnergy = &
@@ -261,6 +222,8 @@ end function porosity_phasefield_getFormationEnergy
 !> @brief returns homogenized pore surface energy (normalized by characteristic length)
 !--------------------------------------------------------------------------------------------------
 function porosity_phasefield_getSurfaceEnergy(ip,el)
+ use lattice, only: &
+   lattice_vacancySurfaceEnergy
  use material, only: &
    homogenization_Ngrains, &
    material_phase
@@ -279,7 +242,7 @@ function porosity_phasefield_getSurfaceEnergy(ip,el)
  porosity_phasefield_getSurfaceEnergy = 0.0_pReal
  do grain = 1, homogenization_Ngrains(mesh_element(3,el))
    porosity_phasefield_getSurfaceEnergy = porosity_phasefield_getSurfaceEnergy + &
-    porosity_phasefield_surfaceEnergy(material_phase(grain,ip,el))
+    lattice_vacancySurfaceEnergy(material_phase(grain,ip,el))
  enddo
 
  porosity_phasefield_getSurfaceEnergy = &

code/vacancyflux_cahnhilliard.f90

@@ -26,9 +26,7 @@ module vacancyflux_cahnhilliard
    vacancyflux_cahnhilliard_Noutput                                                                   !< number of outputs per instance of this damage 
 
  real(pReal),                         dimension(:),           allocatable,        private :: &
-   vacancyflux_cahnhilliard_formationEnergyCoeff, &
+   vacancyflux_cahnhilliard_flucAmplitude
-   vacancyflux_cahnhilliard_surfaceEnergy, &
-   vacancyflux_cahnhilliard_kBCoeff
 
  type(p_vec),                         dimension(:),           allocatable,        private :: &
    vacancyflux_cahnhilliard_thermalFluc
@@ -79,8 +77,6 @@ subroutine vacancyflux_cahnhilliard_init(fileUnit)
    IO_error, &
    IO_timeStamp, &
    IO_EOF
- use lattice, only: &
-   lattice_vacancyVol
  use material, only: &
    vacancyflux_type, &
    vacancyflux_typeInstance, &
@@ -88,7 +84,6 @@ subroutine vacancyflux_cahnhilliard_init(fileUnit)
    VACANCYFLUX_cahnhilliard_label, &
    VACANCYFLUX_cahnhilliard_ID, &
    material_homog, &  
-   material_Nphase, &
    mappingHomogenization, &
    vacancyfluxState, &
    vacancyfluxMapping, &
@@ -128,11 +123,8 @@ subroutine vacancyflux_cahnhilliard_init(fileUnit)
  allocate(vacancyflux_cahnhilliard_outputID       (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID)
  allocate(vacancyflux_cahnhilliard_Noutput        (maxNinstance),                               source=0_pInt) 
 
- allocate(vacancyflux_cahnhilliard_formationEnergyCoeff(material_Nphase),             source=0.0_pReal) 
+ allocate(vacancyflux_cahnhilliard_flucAmplitude  (maxNinstance))
- allocate(vacancyflux_cahnhilliard_kBCoeff                (material_Nphase),             source=0.0_pReal)
+ allocate(vacancyflux_cahnhilliard_thermalFluc    (maxNinstance))
- allocate(vacancyflux_cahnhilliard_surfaceEnergy          (material_Nphase),             source=0.0_pReal)
-
- allocate(vacancyflux_cahnhilliard_thermalFluc(maxNinstance))
 
  rewind(fileUnit)
  section = 0_pInt
@@ -167,43 +159,13 @@ subroutine vacancyflux_cahnhilliard_init(fileUnit)
                                                        IO_lc(IO_stringValue(line,positions,2_pInt))
           end select
 
+       case ('vacancyflux_flucamplitude')
+         vacancyflux_cahnhilliard_flucAmplitude(instance) = IO_floatValue(line,positions,2_pInt)
+         
      end select
    endif; endif
  enddo parsingHomog
  
- rewind(fileUnit)
- section = 0_pInt
- do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase)         ! wind forward to <homogenization>
-   line = IO_read(fileUnit)
- enddo
- 
- parsingPhase: do while (trim(line) /= IO_EOF)                                                      ! read through sections of homog part
-   line = IO_read(fileUnit)
-   if (IO_isBlank(line)) cycle                                                                      ! skip empty lines
-   if (IO_getTag(line,'<','>') /= '') then                                                          ! stop at next part
-     line = IO_read(fileUnit, .true.)                                                               ! reset IO_read
-     exit                                                                                           
-   endif   
-   if (IO_getTag(line,'[',']') /= '') then                                                          ! next homog section
-     section = section + 1_pInt                                                                     ! advance homog section counter
-     cycle                                                                                          ! skip to next line
-   endif
-
-   if (section > 0_pInt ) then; if (vacancyflux_type(section) == VACANCYFLUX_cahnhilliard_ID) then  ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
-
-     positions = IO_stringPos(line,MAXNCHUNKS)
-     tag = IO_lc(IO_stringValue(line,positions,1_pInt))                                             ! extract key
-     select case(tag)
-       case ('vacancyformationenergy')
-         vacancyflux_cahnhilliard_formationEnergyCoeff(section) = IO_floatValue(line,positions,2_pInt)
-
-       case ('voidsurfaceenergy')
-         vacancyflux_cahnhilliard_surfaceEnergy(section) = IO_floatValue(line,positions,2_pInt)
-
-     end select
-   endif; endif
- enddo parsingPhase
- 
  initializeInstances: do section = 1_pInt, size(vacancyflux_type)
    if (vacancyflux_type(section) == VACANCYFLUX_cahnhilliard_ID) then
      NofMyHomog=count(material_homog==section)
@@ -234,6 +196,10 @@ subroutine vacancyflux_cahnhilliard_init(fileUnit)
      allocate(vacancyflux_cahnhilliard_thermalFluc(instance)%p(NofMyHomog))
      do offset = 1_pInt, NofMyHomog
        call random_number(vacancyflux_cahnhilliard_thermalFluc(instance)%p(offset))
+       vacancyflux_cahnhilliard_thermalFluc(instance)%p(offset) = &
+         1.0_pReal - &
+         vacancyflux_cahnhilliard_flucAmplitude(instance)* &
+         (vacancyflux_cahnhilliard_thermalFluc(instance)%p(offset) - 0.5_pReal)
      enddo  
 
      nullify(vacancyfluxMapping(section)%p)
@@ -247,17 +213,6 @@ subroutine vacancyflux_cahnhilliard_init(fileUnit)
  
  enddo initializeInstances
  
- initializeParams: do section = 1_pInt, material_Nphase
-   vacancyflux_cahnhilliard_formationEnergyCoeff(section) = &
-     vacancyflux_cahnhilliard_formationEnergyCoeff(section)/ &
-     lattice_vacancyVol(section)/ &
-     vacancyflux_cahnhilliard_surfaceEnergy(section)
-   vacancyflux_cahnhilliard_kBCoeff(section) = &
-     kB/ &
-     lattice_vacancyVol(section)/ &
-     vacancyflux_cahnhilliard_surfaceEnergy(section)       
- enddo initializeParams
- 
 end subroutine vacancyflux_cahnhilliard_init
 
 !--------------------------------------------------------------------------------------------------
@@ -393,6 +348,10 @@ end function vacancyflux_cahnhilliard_getDiffusion33
 !> @brief returns homogenized vacancy formation energy
 !--------------------------------------------------------------------------------------------------
 function vacancyflux_cahnhilliard_getFormationEnergy(ip,el)
+ use lattice, only: &
+   lattice_vacancyFormationEnergy, &
+   lattice_vacancyVol, &
+   lattice_vacancySurfaceEnergy
  use material, only: &
    homogenization_Ngrains, &
    material_phase
@@ -411,7 +370,9 @@ function vacancyflux_cahnhilliard_getFormationEnergy(ip,el)
  vacancyflux_cahnhilliard_getFormationEnergy = 0.0_pReal
  do grain = 1, homogenization_Ngrains(mesh_element(3,el))
    vacancyflux_cahnhilliard_getFormationEnergy = vacancyflux_cahnhilliard_getFormationEnergy + &
-    vacancyflux_cahnhilliard_formationEnergyCoeff(material_phase(grain,ip,el))
+    lattice_vacancyFormationEnergy(material_phase(grain,ip,el))/ &
+    lattice_vacancyVol(material_phase(grain,ip,el))/ &
+    lattice_vacancySurfaceEnergy(material_phase(grain,ip,el))
  enddo
 
  vacancyflux_cahnhilliard_getFormationEnergy = &
@@ -424,6 +385,9 @@ end function vacancyflux_cahnhilliard_getFormationEnergy
 !> @brief returns homogenized vacancy entropy coefficient
 !--------------------------------------------------------------------------------------------------
 function vacancyflux_cahnhilliard_getEntropicCoeff(ip,el)
+ use lattice, only: &
+   lattice_vacancyVol, &
+   lattice_vacancySurfaceEnergy
  use material, only: &
    homogenization_Ngrains, &
    material_homog, &
@@ -443,7 +407,9 @@ function vacancyflux_cahnhilliard_getEntropicCoeff(ip,el)
  vacancyflux_cahnhilliard_getEntropicCoeff = 0.0_pReal
  do grain = 1, homogenization_Ngrains(material_homog(ip,el))
    vacancyflux_cahnhilliard_getEntropicCoeff = vacancyflux_cahnhilliard_getEntropicCoeff + &
-    vacancyflux_cahnhilliard_kBCoeff(material_phase(grain,ip,el))
+    kB/ &
+    lattice_vacancyVol(material_phase(grain,ip,el))/ &
+    lattice_vacancySurfaceEnergy(material_phase(grain,ip,el))
  enddo
 
  vacancyflux_cahnhilliard_getEntropicCoeff = &
@@ -457,6 +423,8 @@ end function vacancyflux_cahnhilliard_getEntropicCoeff
 !> @brief returns homogenized kinematic contribution to chemical potential
 !--------------------------------------------------------------------------------------------------
 subroutine vacancyflux_cahnhilliard_KinematicChemPotAndItsTangent(KPot, dKPot_dCv, Cv, ip, el)
+ use lattice, only: &
+   lattice_vacancySurfaceEnergy
  use material, only: &
    homogenization_Ngrains, &
    material_homog, &
@@ -501,8 +469,8 @@ subroutine vacancyflux_cahnhilliard_KinematicChemPotAndItsTangent(KPot, dKPot_dC
          my_dKPot_dCv = 0.0_pReal
      
      end select
-     KPot = KPot + my_KPot/vacancyflux_cahnhilliard_surfaceEnergy(material_phase(grain,ip,el))
+     KPot = KPot + my_KPot/lattice_vacancySurfaceEnergy(material_phase(grain,ip,el))
-     dKPot_dCv = dKPot_dCv + my_dKPot_dCv/vacancyflux_cahnhilliard_surfaceEnergy(material_phase(grain,ip,el))
+     dKPot_dCv = dKPot_dCv + my_dKPot_dCv/lattice_vacancySurfaceEnergy(material_phase(grain,ip,el))
    enddo
  enddo 
  
@@ -520,6 +488,7 @@ subroutine vacancyflux_cahnhilliard_getChemPotAndItsTangent(ChemPot,dChemPot_dCv
    vacancyPolyOrder
  use material, only: &
    mappingHomogenization, &
+   vacancyflux_typeInstance, &
    porosity, &
    porosityMapping
 
@@ -541,7 +510,8 @@ subroutine vacancyflux_cahnhilliard_getChemPotAndItsTangent(ChemPot,dChemPot_dCv
  VoidPhaseFrac = porosity(homog)%p(porosityMapping(homog)%p(ip,el))
  kBT = vacancyflux_cahnhilliard_getEntropicCoeff(ip,el)
  
- ChemPot = vacancyflux_cahnhilliard_getFormationEnergy(ip,el)
+ ChemPot = vacancyflux_cahnhilliard_getFormationEnergy(ip,el)* &
+           vacancyflux_cahnhilliard_thermalFluc(vacancyflux_typeInstance(homog))%p(mappingHomogenization(1,ip,el))    
  dChemPot_dCv = 0.0_pReal
  do o = 1_pInt, vacancyPolyOrder
    ChemPot = ChemPot + kBT*((2.0_pReal*Cv - 1.0_pReal)**real(2_pInt*o-1_pInt,pReal))/ &