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surface wetting energy in subphase

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This commit is contained in:
James McClure
2021-01-20 16:50:07 -05:00
parent e21774d021
commit 791526bf03
2 changed files with 6 additions and 9 deletions
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14
analysis/SubPhase.cpp
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@@ -20,7 +20,6 @@ SubPhase::SubPhase(std::shared_ptr <Domain> dm):
Pressure.resize(Nx,Ny,Nz); Pressure.fill(0);
Phi.resize(Nx,Ny,Nz); Phi.fill(0);
DelPhi.resize(Nx,Ny,Nz); DelPhi.fill(0);
Laplacian.resize(Nx,Ny,Nz); Laplacian.fill(0);
Vel_x.resize(Nx,Ny,Nz); Vel_x.fill(0); // Gradient of the phase indicator field
Vel_y.resize(Nx,Ny,Nz); Vel_y.fill(0);
Vel_z.resize(Nx,Ny,Nz); Vel_z.fill(0);
@@ -179,15 +178,14 @@ void SubPhase::Basic(){
for (int j=1; j<Ny-1; j++){
for (int i=1; i<Nx-1; i++){
// Compute all of the derivatives using finite differences
double fx = (Phi(i+1,j,k) - 2.0*Phi(i,j,k) + Phi(i-1,j,k));
double fy = (Phi(i,j+1,k) - 2.0*Phi(i,j,k) + Phi(i,j-1,k));
double fz = (Phi(i,j,k+1) - 2.0*Phi(i,j,k) + Phi(i,j,k-1));
Laplacian(i,j,k) = 0.5*(fx + fy + fz);
double fx = 0.5*(Phi(i+1,j,k) - Phi(i-1,j,k));
double fy = 0.5*(Phi(i,j+1,k) - Phi(i,j-1,k));
double fz = 0.5*(Phi(i,j,k+1) - Phi(i,j,k-1));
DelPhi(i,j,k) = sqrt(fx*fx+fy*fy+fz*fz);
}
}
}
Dm->Comm.barrier();
Dm->CommunicateMeshHalo(Laplacian);
Dm->CommunicateMeshHalo(DelPhi);
for (k=0; k<Nz; k++){
for (j=0; j<Ny; j++){
@@ -261,7 +259,7 @@ void SubPhase::Basic(){
// compute contribution of wetting terms (within two voxels of solid)
if ( Dm->id[n] > 0 && SDs(i,j,k) < 2.0 ){
count_wetting_interaction += 1.0;
total_wetting_interaction += Laplacian(i,j,k);
total_wetting_interaction += DelPhi(i,j,k);
}
}
}

1
analysis/SubPhase.h
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@@ -88,7 +88,6 @@ public:
DoubleArray Rho_w; // density field
DoubleArray Phi; // phase indicator field
DoubleArray DelPhi; // Magnitude of Gradient of the phase indicator field
DoubleArray Laplacian; // laplacian of phase indicator field
DoubleArray Pressure; // pressure field
DoubleArray Vel_x; // velocity field
DoubleArray Vel_y;