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FDS Source: fix a few things in TENSOR_DIFFUSIVITY_MODEL #15917

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rmcdermo merged 1 commit into from
Feb 3, 2026
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FDS Source: fix a few things in TENSOR_DIFFUSIVITY_MODEL #15917

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2 changes: 1 addition & 1 deletion Source/divg.f90
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Expand Up @@ -236,7 +236,7 @@ SUBROUTINE DIVERGENCE_PART_1(T,DT,NM)

! Ensure RHO_D terms sum to zero over all species. Gather error into largest mass fraction present.

IF (SIM_MODE==DNS_MODE .OR. SIM_MODE==LES_MODE) THEN
IF (SIM_MODE==DNS_MODE .OR. SIM_MODE==LES_MODE .OR. TENSOR_DIFFUSIVITY) THEN
! for VLES and SVLES modes, the diffusivity is the same for all species
! so, as long as ZZP is realizable, the sum of diffusive fluxes will be zero
! and the flux corrections below are not required
Expand Down
80 changes: 34 additions & 46 deletions Source/turb.f90
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Expand Up @@ -1611,7 +1611,7 @@ SUBROUTINE TENSOR_DIFFUSIVITY_MODEL(NM,OPT_N)
INTEGER, INTENT(IN) :: NM
INTEGER, INTENT(IN), OPTIONAL :: OPT_N
INTEGER :: I,J,K,N
REAL(EB) :: DRHOZDX,DRHOZDY,DRHOZDZ,DUDX,DUDY,DUDZ,DVDX,DVDY,DVDZ,DWDX,DWDY,DWDZ,DTDX,DTDY,DTDZ
REAL(EB) :: DZDX,DZDY,DZDZ,DUDX,DUDY,DUDZ,DVDX,DVDY,DVDZ,DWDX,DWDY,DWDZ,DTDX,DTDY,DTDZ,RHOBAR
REAL(EB), POINTER, DIMENSION(:,:,:,:) :: ZZP,RHO_D_DZDX,RHO_D_DZDY,RHO_D_DZDZ
REAL(EB), POINTER, DIMENSION(:,:,:) :: RHOP,UU,VV,WW,KDTDX,KDTDY,KDTDZ
REAL(EB), PARAMETER :: C_NL=0.083_EB ! C_NL=1/12, See Pope Exercise 13.28
Expand Down Expand Up @@ -1646,68 +1646,56 @@ SUBROUTINE TENSOR_DIFFUSIVITY_MODEL(NM,OPT_N)
DO K=1,KBAR
DO J=1,JBAR
DO I=0,IBAR
RHOBAR = 0.5_EB*(RHOP(I,J,K)+RHOP(I+1,J,K))

DUDX = (UU(I+1,J,K)-UU(I-1,J,K))/(DX(I)+DX(I+1))
DUDY = (UU(I,J+1,K)-UU(I,J-1,K))/(DYN(J)+DYN(J+1))
DUDZ = (UU(I,J,K+1)-UU(I,J,K-1))/(DZN(K)+DZN(K+1))
DUDX = (UU(I+1,J,K)-UU(MAX(0,I-1),J,K))/(DX(I)+DX(I+1))
DUDY = (UU(I,J+1,K)-UU(I,J-1,K))/(DYN(J-1)+DYN(J))
DUDZ = (UU(I,J,K+1)-UU(I,J,K-1))/(DZN(K-1)+DZN(K))

DRHOZDX = RDXN(I)*(RHOP(I+1,J,K)*ZZP(I+1,J,K,N)-RHOP(I,J,K)*ZZP(I,J,K,N))

DRHOZDY = 0.25_EB*RDY(J)*( RHOP(I,J+1,K)*ZZP(I,J+1,K,N) + RHOP(I+1,J+1,K)*ZZP(I+1,J+1,K,N) &
- RHOP(I,J-1,K)*ZZP(I,J-1,K,N) - RHOP(I+1,J-1,K)*ZZP(I+1,J-1,K,N) )

DRHOZDZ = 0.25_EB*RDZ(K)*( RHOP(I,J,K+1)*ZZP(I,J,K+1,N) + RHOP(I+1,J,K+1)*ZZP(I+1,J,K+1,N) &
- RHOP(I,J,K-1)*ZZP(I,J,K-1,N) - RHOP(I+1,J,K-1)*ZZP(I+1,J,K-1,N) )
DZDX = RDXN(I)*(ZZP(I+1,J,K,N)-ZZP(I,J,K,N))
DZDY = 0.25_EB*RDY(J)*( ZZP(I,J+1,K,N) + ZZP(I+1,J+1,K,N) - ZZP(I,J-1,K,N) - ZZP(I+1,J-1,K,N) )
DZDZ = 0.25_EB*RDZ(K)*( ZZP(I,J,K+1,N) + ZZP(I+1,J,K+1,N) - ZZP(I,J,K-1,N) - ZZP(I+1,J,K-1,N) )

RHO_D_DZDX(I,J,K,N) = RHO_D_DZDX(I,J,K,N) &
+ C_NL*(DX(I)**2*DUDX*DRHOZDX+DY(J)**2*DUDY*DRHOZDY+DZ(K)**2*DUDZ*DRHOZDZ)

+ RHOBAR*C_NL*( DXN(I)**2*DZDX*DUDX + DY(J)**2*DZDY*DUDY + DZ(K)**2*DZDZ*DUDZ )
ENDDO
ENDDO
ENDDO

DO K=1,KBAR
DO J=0,JBAR
DO I=1,IBAR
RHOBAR = 0.5_EB*(RHOP(I,J,K)+RHOP(I,J+1,K))

DVDX = (VV(I+1,J,K)-VV(I-1,J,K))/(DXN(I)+DXN(I+1))
DVDY = (VV(I,J+1,K)-VV(I,J-1,K))/(DY(J)+DY(J+1))
DVDZ = (VV(I,J,K+1)-VV(I,J,K-1))/(DZN(K)+DZN(K+1))

DRHOZDX = 0.25_EB*RDX(I)*( RHOP(I+1,J,K)*ZZP(I+1,J,K,N) + RHOP(I+1,J+1,K)*ZZP(I+1,J+1,K,N) &
- RHOP(I-1,J,K)*ZZP(I-1,J,K,N) - RHOP(I-1,J+1,K)*ZZP(I-1,J+1,K,N) )

DRHOZDY = RDYN(J)*(RHOP(I,J+1,K)*ZZP(I,J+1,K,N)-RHOP(I,J,K)*ZZP(I,J,K,N))
DVDX = (VV(I+1,J,K)-VV(I-1,J,K))/(DXN(I-1)+DXN(I))
DVDY = (VV(I,J+1,K)-VV(I,MAX(0,J-1),K))/(DY(J)+DY(J+1))
DVDZ = (VV(I,J,K+1)-VV(I,J,K-1))/(DZN(K-1)+DZN(K))

DRHOZDZ = 0.25_EB*RDZ(K)*( RHOP(I,J,K+1)*ZZP(I,J,K+1,N) + RHOP(I,J+1,K+1)*ZZP(I,J+1,K+1,N) &
- RHOP(I,J,K-1)*ZZP(I,J,K-1,N) - RHOP(I,J+1,K-1)*ZZP(I,J+1,K-1,N) )
DZDX = 0.25_EB*RDX(I)*( ZZP(I+1,J,K,N) + ZZP(I+1,J+1,K,N) - ZZP(I-1,J,K,N) - ZZP(I-1,J+1,K,N) )
DZDY = RDYN(J)*(ZZP(I,J+1,K,N)-ZZP(I,J,K,N))
DZDZ = 0.25_EB*RDZ(K)*( ZZP(I,J,K+1,N) + ZZP(I,J+1,K+1,N) - ZZP(I,J,K-1,N) - ZZP(I,J+1,K-1,N) )

RHO_D_DZDY(I,J,K,N) = RHO_D_DZDY(I,J,K,N) &
+ C_NL*(DX(I)**2*DVDX*DRHOZDX+DY(J)**2*DVDY*DRHOZDY+DZ(K)**2*DVDZ*DRHOZDZ)

+ RHOBAR*C_NL*( DX(I)**2*DZDX*DVDX + DY(J)**2*DZDY*DVDY + DZ(K)**2*DZDZ*DVDZ )
ENDDO
ENDDO
ENDDO

DO K=0,KBAR
DO J=1,JBAR
DO I=1,IBAR
RHOBAR = 0.5_EB*(RHOP(I,J,K)+RHOP(I,J,K+1))

DWDX = (WW(I+1,J,K)-WW(I-1,J,K))/(DXN(I+1)+DXN(I) )
DWDY = (WW(I,J+1,K)-WW(I,J-1,K))/(DYN(J+1)+DYN(J) )
DWDZ = (WW(I,J,K+1)-WW(I,J,K-1))/(DZ(K) +DZ(K+1))

DRHOZDX = 0.25_EB*RDX(I)*( RHOP(I+1,J,K)*ZZP(I+1,J,K,N) + RHOP(I+1,J,K+1)*ZZP(I+1,J,K+1,N) &
- RHOP(I-1,J,K)*ZZP(I-1,J,K,N) - RHOP(I-1,J,K+1)*ZZP(I-1,J,K+1,N) )
DWDX = (WW(I+1,J,K)-WW(I-1,J,K))/(DXN(I-1)+DXN(I))
DWDY = (WW(I,J+1,K)-WW(I,J-1,K))/(DYN(J-1)+DYN(J))
DWDZ = (WW(I,J,K+1)-WW(I,J,MAX(0,K-1)))/(DZ(K)+DZ(K+1))

DRHOZDY = 0.25_EB*RDY(J)*( RHOP(I,J+1,K)*ZZP(I,J+1,K,N) + RHOP(I,J+1,K+1)*ZZP(I,J+1,K+1,N) &
- RHOP(I,J-1,K)*ZZP(I,J-1,K,N) - RHOP(I,J-1,K+1)*ZZP(I,J-1,K+1,N) )

DRHOZDZ = RDZN(K)*(RHOP(I,J,K+1)*ZZP(I,J,K+1,N)-RHOP(I,J,K)*ZZP(I,J,K,N))
DZDX = 0.25_EB*RDX(I)*( ZZP(I+1,J,K,N) + ZZP(I+1,J,K+1,N) - ZZP(I-1,J,K,N) - ZZP(I-1,J,K+1,N) )
DZDY = 0.25_EB*RDY(J)*( ZZP(I,J+1,K,N) + ZZP(I,J+1,K+1,N) - ZZP(I,J-1,K,N) - ZZP(I,J-1,K+1,N) )
DZDZ = RDZN(K)*(ZZP(I,J,K+1,N)-ZZP(I,J,K,N))

RHO_D_DZDZ(I,J,K,N) = RHO_D_DZDZ(I,J,K,N) &
+ C_NL*(DX(I)**2*DWDX*DRHOZDX+DY(J)**2*DWDY*DRHOZDY+DZ(K)**2*DWDZ*DRHOZDZ)

+ RHOBAR*C_NL*( DX(I)**2*DZDX*DWDX + DY(J)**2*DZDY*DWDY + DZ(K)**2*DZDZ*DWDZ )
ENDDO
ENDDO
ENDDO
Expand Down Expand Up @@ -1735,9 +1723,9 @@ SUBROUTINE TENSOR_DIFFUSIVITY_MODEL(NM,OPT_N)
DO J=1,JBAR
DO I=0,IBAR

DUDX = (UU(I+1,J,K)-UU(I-1,J,K))/(DX(I)+DX(I+1))
DUDY = (UU(I,J+1,K)-UU(I,J-1,K))/(DYN(J)+DYN(J+1))
DUDZ = (UU(I,J,K+1)-UU(I,J,K-1))/(DZN(K)+DZN(K+1))
DUDX = (UU(I+1,J,K)-UU(MAX(0,I-1),J,K))/(DX(I)+DX(I+1))
DUDY = (UU(I,J+1,K)-UU(I,J-1,K))/(DYN(J-1)+DYN(J))
DUDZ = (UU(I,J,K+1)-UU(I,J,K-1))/(DZN(K-1)+DZN(K))

DTDX = RDXN(I)*(TMP(I+1,J,K)-TMP(I,J,K))
DTDY = 0.25_EB*RDY(J)*( TMP(I,J+1,K) + TMP(I+1,J+1,K) - TMP(I,J-1,K) - TMP(I+1,J-1,K) )
Expand All @@ -1753,9 +1741,9 @@ SUBROUTINE TENSOR_DIFFUSIVITY_MODEL(NM,OPT_N)
DO J=0,JBAR
DO I=1,IBAR

DVDX = (VV(I+1,J,K)-VV(I-1,J,K))/(DXN(I)+DXN(I+1))
DVDY = (VV(I,J+1,K)-VV(I,J-1,K))/(DY(J)+DY(J+1))
DVDZ = (VV(I,J,K+1)-VV(I,J,K-1))/(DZN(K)+DZN(K+1))
DVDX = (VV(I+1,J,K)-VV(I-1,J,K))/(DXN(I-1)+DXN(I))
DVDY = (VV(I,J+1,K)-VV(I,MAX(0,J-1),K))/(DY(J)+DY(J+1))
DVDZ = (VV(I,J,K+1)-VV(I,J,K-1))/(DZN(K-1)+DZN(K))

DTDX = 0.25_EB*RDX(I)*( TMP(I+1,J,K) + TMP(I+1,J+1,K) - TMP(I-1,J,K) - TMP(I-1,J+1,K) )
DTDY = RDYN(J)*(TMP(I,J+1,K)-TMP(I,J,K))
Expand All @@ -1771,9 +1759,9 @@ SUBROUTINE TENSOR_DIFFUSIVITY_MODEL(NM,OPT_N)
DO J=1,JBAR
DO I=1,IBAR

DWDX = (WW(I+1,J,K)-WW(I-1,J,K))/(DXN(I+1)+DXN(I) )
DWDY = (WW(I,J+1,K)-WW(I,J-1,K))/(DYN(J+1)+DYN(J) )
DWDZ = (WW(I,J,K+1)-WW(I,J,K-1))/(DZ(K) +DZ(K+1))
DWDX = (WW(I+1,J,K)-WW(I-1,J,K))/(DXN(I-1)+DXN(I))
DWDY = (WW(I,J+1,K)-WW(I,J-1,K))/(DYN(J-1)+DYN(J))
DWDZ = (WW(I,J,K+1)-WW(I,J,MAX(0,K-1)))/(DZ(K)+DZ(K+1))

DTDX = 0.25_EB*RDX(I)*( TMP(I+1,J,K) + TMP(I+1,J,K+1) - TMP(I-1,J,K) - TMP(I-1,J,K+1) )
DTDY = 0.25_EB*RDY(J)*( TMP(I,J+1,K) + TMP(I,J+1,K+1) - TMP(I,J-1,K) - TMP(I,J-1,K+1) )
Expand Down
2 changes: 2 additions & 0 deletions Source/wall.f90
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Expand Up @@ -944,6 +944,8 @@ SUBROUTINE SURFACE_HEAT_TRANSFER(NM,T,SF,BC,B1,WALL_INDEX,CFACE_INDEX,PARTICLE_I
! store for use in divg
B1%RHO_D_DZDN_F(N) = RHO_D_DZDN_OTHER
ENDDO SPECIES_LOOP_2
! In DNS and LES, the diffusivity is not a constant due to the addition of the molecular value.
! The following correction assures the sum of the diffusive fluxes is zero.
IF (SIM_MODE==DNS_MODE .OR. SIM_MODE==LES_MODE) THEN
N=MAXLOC(B1%ZZ_F(1:N_TRACKED_SPECIES),1)
B1%RHO_D_DZDN_F(N) = -(SUM(B1%RHO_D_DZDN_F(1:N_TRACKED_SPECIES))-B1%RHO_D_DZDN_F(N))
Expand Down
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