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save the work; fluxBC for Ion solver still does not fully agree COMSOL

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This commit is contained in:
Rex Zhe Li 2020-11-19 13:17:31 -05:00
parent f9c32855e5
commit e93b941d9e
4 changed files with 104 additions and 34 deletions
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12
common/ScaLBL.cpp
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@ -2110,24 +2110,24 @@ void ScaLBL_Communicator::D3Q7_Ion_Concentration_BC_Z(int *neighborList, double
} }
} }
void ScaLBL_Communicator::D3Q7_Ion_Flux_BC_z(int *neighborList, double *fq, double Cin, int time){ void ScaLBL_Communicator::D3Q7_Ion_Flux_BC_z(int *neighborList, double *fq, double Cin, double tau, double *VelocityZ, int time){
if (kproc == 0) { if (kproc == 0) {
if (time%2==0){ if (time%2==0){
ScaLBL_D3Q7_AAeven_Ion_Flux_BC_z(dvcSendList_z, fq, Cin, sendCount_z, N); ScaLBL_D3Q7_AAeven_Ion_Flux_BC_z(dvcSendList_z, fq, Cin, tau, VelocityZ, sendCount_z, N);
} }
else{ else{
ScaLBL_D3Q7_AAodd_Ion_Flux_BC_z(neighborList, dvcSendList_z, fq, Cin, sendCount_z, N); ScaLBL_D3Q7_AAodd_Ion_Flux_BC_z(neighborList, dvcSendList_z, fq, Cin, tau, VelocityZ, sendCount_z, N);
} }
} }
} }
void ScaLBL_Communicator::D3Q7_Ion_Flux_BC_Z(int *neighborList, double *fq, double Cout, int time){ void ScaLBL_Communicator::D3Q7_Ion_Flux_BC_Z(int *neighborList, double *fq, double Cout, double tau, double *VelocityZ, int time){
if (kproc == nprocz-1){ if (kproc == nprocz-1){
if (time%2==0){ if (time%2==0){
ScaLBL_D3Q7_AAeven_Ion_Flux_BC_Z(dvcSendList_Z, fq, Cout, sendCount_Z, N); ScaLBL_D3Q7_AAeven_Ion_Flux_BC_Z(dvcSendList_Z, fq, Cout, tau, VelocityZ, sendCount_Z, N);
} }
else{ else{
ScaLBL_D3Q7_AAodd_Ion_Flux_BC_Z(neighborList, dvcSendList_Z, fq, Cout, sendCount_Z, N); ScaLBL_D3Q7_AAodd_Ion_Flux_BC_Z(neighborList, dvcSendList_Z, fq, Cout, tau, VelocityZ, sendCount_Z, N);
} }
} }
} }

12
common/ScaLBL.h
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@ -214,13 +214,13 @@ extern "C" void ScaLBL_D3Q7_AAodd_Ion_Concentration_BC_z(int *d_neighborList, in
extern "C" void ScaLBL_D3Q7_AAodd_Ion_Concentration_BC_Z(int *d_neighborList, int *list, double *dist, double Cout, int count, int Np); extern "C" void ScaLBL_D3Q7_AAodd_Ion_Concentration_BC_Z(int *d_neighborList, int *list, double *dist, double Cout, int count, int Np);
extern "C" void ScaLBL_D3Q7_AAeven_Ion_Flux_BC_z(int *list, double *dist, double Cin, int count, int Np); extern "C" void ScaLBL_D3Q7_AAeven_Ion_Flux_BC_z(int *list, double *dist, double Cin, double tau, double *VelocityZ, int count, int Np);
extern "C" void ScaLBL_D3Q7_AAeven_Ion_Flux_BC_Z(int *list, double *dist, double Cout, int count, int Np); extern "C" void ScaLBL_D3Q7_AAeven_Ion_Flux_BC_Z(int *list, double *dist, double Cout, double tau, double *VelocityZ, int count, int Np);
extern "C" void ScaLBL_D3Q7_AAodd_Ion_Flux_BC_z(int *d_neighborList, int *list, double *dist, double Cin, int count, int Np); extern "C" void ScaLBL_D3Q7_AAodd_Ion_Flux_BC_z(int *d_neighborList, int *list, double *dist, double Cin, double tau, double *VelocityZ, int count, int Np);
extern "C" void ScaLBL_D3Q7_AAodd_Ion_Flux_BC_Z(int *d_neighborList, int *list, double *dist, double Cout, int count, int Np); extern "C" void ScaLBL_D3Q7_AAodd_Ion_Flux_BC_Z(int *d_neighborList, int *list, double *dist, double Cout, double tau, double *VelocityZ, int count, int Np);
class ScaLBL_Communicator{ class ScaLBL_Communicator{
public: public:
@ -287,8 +287,8 @@ public:
void Poisson_D3Q7_BC_Z(int *Map, double *Psi, double Vout); void Poisson_D3Q7_BC_Z(int *Map, double *Psi, double Vout);
void D3Q7_Ion_Concentration_BC_z(int *neighborList, double *fq, double Cin, int time); void D3Q7_Ion_Concentration_BC_z(int *neighborList, double *fq, double Cin, int time);
void D3Q7_Ion_Concentration_BC_Z(int *neighborList, double *fq, double Cout, int time); void D3Q7_Ion_Concentration_BC_Z(int *neighborList, double *fq, double Cout, int time);
void D3Q7_Ion_Flux_BC_z(int *neighborList, double *fq, double Cin, int time); void D3Q7_Ion_Flux_BC_z(int *neighborList, double *fq, double Cin, double tau, double *VelocityZ, int time);
void D3Q7_Ion_Flux_BC_Z(int *neighborList, double *fq, double Cout, int time); void D3Q7_Ion_Flux_BC_Z(int *neighborList, double *fq, double Cout, double tau, double *VelocityZ, int time);
// Debugging and unit testing functions // Debugging and unit testing functions
void PrintD3Q19(); void PrintD3Q19();

102
cpu/D3Q7BC.cpp
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@ -224,54 +224,124 @@ extern "C" void ScaLBL_D3Q7_AAodd_Ion_Concentration_BC_Z(int *d_neighborList, in
} }
} }
extern "C" void ScaLBL_D3Q7_AAeven_Ion_Flux_BC_z(int *list, double *dist, double FluxIn, int count, int Np){ extern "C" void ScaLBL_D3Q7_AAeven_Ion_Flux_BC_z(int *list, double *dist, double FluxIn, double tau, double *VelocityZ, int count, int Np){
//NOTE: FluxIn is the inward flux //NOTE: FluxIn is the inward flux
double f0,f1,f2,f3,f4,f5,f6;
double fsum_partial;
int n;
double uz;
for (int idx=0; idx<count; idx++){ for (int idx=0; idx<count; idx++){
int n = list[idx]; n = list[idx];
double f6 = dist[5*Np+n]; f0 = dist[n];
f1 = dist[2*Np+n];
f2 = dist[1*Np+n];
f3 = dist[4*Np+n];
f4 = dist[3*Np+n];
f6 = dist[5*Np+n];
fsum_partial = f0+f1+f2+f3+f4+f6;
uz = VelocityZ[n];
//................................................... //...................................................
double f5 = FluxIn +f6; f5 =(FluxIn+(1.0-0.5/tau)*f6-uz*fsum_partial)/(1.0-0.5/tau+uz);
dist[6*Np+n] = f5; dist[6*Np+n] = f5;
} }
} }
extern "C" void ScaLBL_D3Q7_AAeven_Ion_Flux_BC_Z(int *list, double *dist, double FluxIn, int count, int Np){
extern "C" void ScaLBL_D3Q7_AAeven_Ion_Flux_BC_Z(int *list, double *dist, double FluxIn, double tau, double *VelocityZ, int count, int Np){
//NOTE: FluxIn is the inward flux //NOTE: FluxIn is the inward flux
double f0,f1,f2,f3,f4,f5,f6;
double fsum_partial;
int n;
double uz;
for (int idx=0; idx<count; idx++){ for (int idx=0; idx<count; idx++){
int n = list[idx]; n = list[idx];
double f5 = dist[6*Np+n]; f0 = dist[n];
f1 = dist[2*Np+n];
f2 = dist[1*Np+n];
f3 = dist[4*Np+n];
f4 = dist[3*Np+n];
f5 = dist[6*Np+n];
fsum_partial = f0+f1+f2+f3+f4+f5;
uz = VelocityZ[n];
//................................................... //...................................................
double f6 = FluxIn +f5; f6 =(FluxIn+(1.0-0.5/tau)*f5+uz*fsum_partial)/(1.0-0.5/tau-uz);
dist[5*Np+n] = f6; dist[5*Np+n] = f6;
} }
} }
extern "C" void ScaLBL_D3Q7_AAodd_Ion_Flux_BC_z(int *d_neighborList, int *list, double *dist, double FluxIn, int count, int Np){ extern "C" void ScaLBL_D3Q7_AAodd_Ion_Flux_BC_z(int *d_neighborList, int *list, double *dist, double FluxIn, double tau, double *VelocityZ, int count, int Np){
//NOTE: FluxIn is the inward flux //NOTE: FluxIn is the inward flux
double f0,f1,f2,f3,f4,f5,f6;
double fsum_partial;
int n;
int nread,nr5; int nread,nr5;
double uz;
for (int idx=0; idx<count; idx++){ for (int idx=0; idx<count; idx++){
int n = list[idx]; n = list[idx];
f0 = dist[n];
nread = d_neighborList[n];
f1 = dist[nread];
nread = d_neighborList[n+2*Np];
f3 = dist[nread];
nread = d_neighborList[n+Np];
f2 = dist[nread];
nread = d_neighborList[n+3*Np];
f4 = dist[nread];
nread = d_neighborList[n+5*Np]; nread = d_neighborList[n+5*Np];
double f6 = dist[nread]; f6 = dist[nread];
fsum_partial = f0+f1+f2+f3+f4+f6;
uz = VelocityZ[n];
//...................................................
f5 =(FluxIn+(1.0-0.5/tau)*f6-uz*fsum_partial)/(1.0-0.5/tau+uz);
// Unknown distributions // Unknown distributions
nr5 = d_neighborList[n+4*Np]; nr5 = d_neighborList[n+4*Np];
double f5 = FluxIn +f6;
dist[nr5] = f5; dist[nr5] = f5;
} }
} }
extern "C" void ScaLBL_D3Q7_AAodd_Ion_Flux_BC_Z(int *d_neighborList, int *list, double *dist, double FluxIn, int count, int Np){ extern "C" void ScaLBL_D3Q7_AAodd_Ion_Flux_BC_Z(int *d_neighborList, int *list, double *dist, double FluxIn, double tau, double *VelocityZ, int count, int Np){
//NOTE: FluxIn is the inward flux //NOTE: FluxIn is the inward flux
double f0,f1,f2,f3,f4,f5,f6;
double fsum_partial;
int n;
int nread,nr6; int nread,nr6;
double uz;
for (int idx=0; idx<count; idx++){ for (int idx=0; idx<count; idx++){
int n = list[idx]; n = list[idx];
f0 = dist[n];
nread = d_neighborList[n];
f1 = dist[nread];
nread = d_neighborList[n+2*Np];
f3 = dist[nread];
nread = d_neighborList[n+4*Np]; nread = d_neighborList[n+4*Np];
double f5 = dist[nread]; f5 = dist[nread];
nread = d_neighborList[n+Np];
f2 = dist[nread];
nread = d_neighborList[n+3*Np];
f4 = dist[nread];
fsum_partial = f0+f1+f2+f3+f4+f5;
uz = VelocityZ[n];
//...................................................
f6 =(FluxIn+(1.0-0.5/tau)*f5+uz*fsum_partial)/(1.0-0.5/tau-uz);
// unknown distributions // unknown distributions
nr6 = d_neighborList[n+5*Np]; nr6 = d_neighborList[n+5*Np];
double f6 = FluxIn +f5;
dist[nr6] = f6; dist[nr6] = f6;
} }
} }

12
models/IonModel.cpp
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@ -742,7 +742,7 @@ void ScaLBL_IonModel::Initialize(){
if (rank==0) printf("LB Ion Solver: inlet boundary for Ion %i is concentration = %.5g [mol/m^3] \n",i+1,Cin[i]/(h*h*h*1.0e-18)); if (rank==0) printf("LB Ion Solver: inlet boundary for Ion %i is concentration = %.5g [mol/m^3] \n",i+1,Cin[i]/(h*h*h*1.0e-18));
break; break;
case 2: case 2:
if (rank==0) printf("LB Ion Solver: inlet boundary for Ion %i is flux = %.5g [mol/m^2/sec] \n",i+1,Cin[i]/(h*h*1.0e-12)/time_conv[i]); if (rank==0) printf("LB Ion Solver: inlet boundary for Ion %i is (inward) flux = %.5g [mol/m^2/sec] \n",i+1,Cin[i]/(h*h*1.0e-12)/time_conv[i]);
break; break;
} }
switch (BoundaryConditionOutlet[i]){ switch (BoundaryConditionOutlet[i]){
@ -753,7 +753,7 @@ void ScaLBL_IonModel::Initialize(){
if (rank==0) printf("LB Ion Solver: outlet boundary for Ion %i is concentration = %.5g [mol/m^3] \n",i+1,Cout[i]/(h*h*h*1.0e-18)); if (rank==0) printf("LB Ion Solver: outlet boundary for Ion %i is concentration = %.5g [mol/m^3] \n",i+1,Cout[i]/(h*h*h*1.0e-18));
break; break;
case 2: case 2:
if (rank==0) printf("LB Ion Solver: outlet boundary for Ion %i is flux = %.5g [mol/m^2/sec] \n",i+1,Cout[i]/(h*h*1.0e-12)/time_conv[i]); if (rank==0) printf("LB Ion Solver: outlet boundary for Ion %i is (inward) flux = %.5g [mol/m^2/sec] \n",i+1,Cout[i]/(h*h*1.0e-12)/time_conv[i]);
break; break;
} }
} }
@ -803,7 +803,7 @@ void ScaLBL_IonModel::Run(double *Velocity, double *ElectricField){
ScaLBL_Comm->D3Q7_Ion_Concentration_BC_z(NeighborList, &fq[ic*Np*7], Cin[ic], timestep); ScaLBL_Comm->D3Q7_Ion_Concentration_BC_z(NeighborList, &fq[ic*Np*7], Cin[ic], timestep);
break; break;
case 2: case 2:
ScaLBL_Comm->D3Q7_Ion_Flux_BC_z(NeighborList, &fq[ic*Np*7], Cin[ic], timestep); ScaLBL_Comm->D3Q7_Ion_Flux_BC_z(NeighborList, &fq[ic*Np*7], Cin[ic], tau[ic], &Velocity[2*Np], timestep);
break; break;
} }
} }
@ -813,7 +813,7 @@ void ScaLBL_IonModel::Run(double *Velocity, double *ElectricField){
ScaLBL_Comm->D3Q7_Ion_Concentration_BC_Z(NeighborList, &fq[ic*Np*7], Cout[ic], timestep); ScaLBL_Comm->D3Q7_Ion_Concentration_BC_Z(NeighborList, &fq[ic*Np*7], Cout[ic], timestep);
break; break;
case 2: case 2:
ScaLBL_Comm->D3Q7_Ion_Flux_BC_Z(NeighborList, &fq[ic*Np*7], Cout[ic], timestep); ScaLBL_Comm->D3Q7_Ion_Flux_BC_Z(NeighborList, &fq[ic*Np*7], Cout[ic], tau[ic], &Velocity[2*Np], timestep);
break; break;
} }
} }
@ -847,7 +847,7 @@ void ScaLBL_IonModel::Run(double *Velocity, double *ElectricField){
ScaLBL_Comm->D3Q7_Ion_Concentration_BC_z(NeighborList, &fq[ic*Np*7], Cin[ic], timestep); ScaLBL_Comm->D3Q7_Ion_Concentration_BC_z(NeighborList, &fq[ic*Np*7], Cin[ic], timestep);
break; break;
case 2: case 2:
ScaLBL_Comm->D3Q7_Ion_Flux_BC_z(NeighborList, &fq[ic*Np*7], Cin[ic], timestep); ScaLBL_Comm->D3Q7_Ion_Flux_BC_z(NeighborList, &fq[ic*Np*7], Cin[ic], tau[ic], &Velocity[2*Np], timestep);
break; break;
} }
} }
@ -857,7 +857,7 @@ void ScaLBL_IonModel::Run(double *Velocity, double *ElectricField){
ScaLBL_Comm->D3Q7_Ion_Concentration_BC_Z(NeighborList, &fq[ic*Np*7], Cout[ic], timestep); ScaLBL_Comm->D3Q7_Ion_Concentration_BC_Z(NeighborList, &fq[ic*Np*7], Cout[ic], timestep);
break; break;
case 2: case 2:
ScaLBL_Comm->D3Q7_Ion_Flux_BC_Z(NeighborList, &fq[ic*Np*7], Cout[ic], timestep); ScaLBL_Comm->D3Q7_Ion_Flux_BC_Z(NeighborList, &fq[ic*Np*7], Cout[ic], tau[ic], &Velocity[2*Np], timestep);
break; break;
} }
} }