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diff --git a/src/dynamics/freeEnergyPostProcessor3D.hh b/src/dynamics/freeEnergyPostProcessor3D.hh new file mode 100644 index 0000000..ca8d232 --- /dev/null +++ b/src/dynamics/freeEnergyPostProcessor3D.hh @@ -0,0 +1,631 @@ +/* This file is part of the OpenLB library + * + * Copyright (C) 2018 Sam Avis, Robin Trunk + * E-mail contact: info@openlb.net + * The most recent release of OpenLB can be downloaded at + * <http://www.openlb.net/> + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * This program is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + * GNU General Public License for more details. + * + * You should have received a copy of the GNU General Public + * License along with this program; if not, write to the Free + * Software Foundation, Inc., 51 Franklin Street, Fifth Floor, + * Boston, MA 02110-1301, USA. +*/ + +#ifndef FREE_ENERGY_POST_PROCESSOR_3D_HH +#define FREE_ENERGY_POST_PROCESSOR_3D_HH + +#include "freeEnergyPostProcessor3D.h" +#include "core/blockLattice3D.h" + +namespace olb { + +//////// FreeEnergyChemicalPotentialCoupling3D /////////////////////////////////// + +template<typename T, typename DESCRIPTOR> +FreeEnergyChemicalPotentialCoupling3D <T,DESCRIPTOR>::FreeEnergyChemicalPotentialCoupling3D ( + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_, T alpha_, T kappa1_, T kappa2_, T kappa3_, + std::vector<SpatiallyExtendedObject3D*> partners_) + : x0(x0_), x1(x1_), y0(y0_), y1(y1_), z0(z0_), z1(z1_), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(kappa3_), partners(partners_) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyChemicalPotentialCoupling3D <T,DESCRIPTOR>::FreeEnergyChemicalPotentialCoupling3D ( + T alpha_, T kappa1_, T kappa2_, T kappa3_, + std::vector<SpatiallyExtendedObject3D*> partners_) + : x0(0), x1(0), y0(0), y1(0), z0(0), z1(0), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(kappa3_), partners(partners_) +{ } + +template<typename T, typename DESCRIPTOR> +void FreeEnergyChemicalPotentialCoupling3D<T,DESCRIPTOR>::processSubDomain ( + BlockLattice3D<T,DESCRIPTOR>& blockLattice, + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_ ) +{ + // If partners.size() == 1: two fluid components + // If partners.size() == 2: three fluid components + BlockLattice3D<T,DESCRIPTOR> *partnerLattice1 = dynamic_cast<BlockLattice3D<T,DESCRIPTOR> *>(partners[0]); + BlockLattice3D<T,DESCRIPTOR> *partnerLattice2 = 0; + if (partners.size() > 1) { + partnerLattice2 = dynamic_cast<BlockLattice3D<T,DESCRIPTOR> *>(partners[1]); + } + + int newX0, newX1, newY0, newY1, newZ0, newZ1; + if ( util::intersect ( x0, x1, y0, y1, z0, z1, + x0_, x1_, y0_, y1_, z0, z1, + newX0, newX1, newY0, newY1, newZ0, newZ1 ) ) { + int nx = newX1-newX0+3; // include a one-cell boundary + int ny = newY1-newY0+3; // include a one-cell boundary + int nz = newZ1-newZ0+3; // include a one-cell boundary + int offsetX = newX0-1; + int offsetY = newY0-1; + int offsetZ = newZ0-1; + + // compute the density fields for each lattice + BlockData3D<T,T> rhoField1(nx, ny, nz); + BlockData3D<T,T> rhoField2(nx, ny, nz); + BlockData3D<T,T> rhoField3(nx, ny, nz); + for (int iX=newX0-1; iX<=newX1+1; ++iX) + for (int iY=newY0-1; iY<=newY1+1; ++iY) + for (int iZ=newZ0-1; iZ<=newZ1+1; ++iZ) { + rhoField1.get(iX-offsetX, iY-offsetY, iZ-offsetZ) = blockLattice.get(iX,iY,iZ).computeRho(); + } + for (int iX=newX0-1; iX<=newX1+1; ++iX) + for (int iY=newY0-1; iY<=newY1+1; ++iY) + for (int iZ=newZ0-1; iZ<=newZ1+1; ++iZ) { + rhoField2.get(iX-offsetX, iY-offsetY, iZ-offsetZ) = partnerLattice1->get(iX,iY,iZ).computeRho(); + } + if (partners.size() > 1) { + for (int iX=newX0-1; iX<=newX1+1; ++iX) + for (int iY=newY0-1; iY<=newY1+1; ++iY) + for (int iZ=newZ0-1; iZ<=newZ1+1; ++iZ) { + rhoField3.get(iX-offsetX, iY-offsetY, iZ-offsetZ) = partnerLattice2->get(iX,iY,iZ).computeRho(); + } + } + + // calculate chemical potential + for (int iX=newX0; iX<=newX1; ++iX) { + for (int iY=newY0; iY<=newY1; ++iY) { + for (int iZ=newZ0; iZ<=newZ1; ++iZ) { + T densitySum = rhoField1.get(iX-offsetX, iY-offsetY, iZ-offsetZ) + + rhoField2.get(iX-offsetX, iY-offsetY, iZ-offsetZ); + T densityDifference = rhoField1.get(iX-offsetX, iY-offsetY, iZ-offsetZ) + - rhoField2.get(iX-offsetX, iY-offsetY, iZ-offsetZ); + if (partners.size() > 1) { + densitySum -= rhoField3.get(iX-offsetX, iY-offsetY, iZ-offsetZ); + densityDifference -= rhoField3.get(iX-offsetX, iY-offsetY, iZ-offsetZ); + } + T term1 = 0.125 * kappa1 * (densitySum) + * (densitySum-1.) * (densitySum-2.); + T term2 = 0.125 * kappa2 * (densityDifference) + * (densityDifference-1.) * (densityDifference-2.); + T term3 = 0.; + if (partners.size() > 1) { + T rho3 = rhoField3.get(iX-offsetX, iY-offsetY, iZ-offsetZ); + term3 = kappa3 * rho3 * (rho3 - 1.) * (2.*rho3 - 1.); + } + + T laplaceRho1 = 1.0 / 6.0 * ( + rhoField1.get(iX-offsetX, iY-offsetY-1, iZ-offsetZ-1) + + rhoField1.get(iX-offsetX-1, iY-offsetY, iZ-offsetZ-1) + + 2. * rhoField1.get(iX-offsetX, iY-offsetY, iZ-offsetZ-1) + + rhoField1.get(iX-offsetX+1, iY-offsetY, iZ-offsetZ-1) + + rhoField1.get(iX-offsetX, iY-offsetY+1, iZ-offsetZ-1) + + rhoField1.get(iX-offsetX-1, iY-offsetY-1, iZ-offsetZ) + + 2. * rhoField1.get(iX-offsetX, iY-offsetY-1, iZ-offsetZ) + + rhoField1.get(iX-offsetX+1, iY-offsetY-1, iZ-offsetZ) + + 2. * rhoField1.get(iX-offsetX-1, iY-offsetY, iZ-offsetZ) + -24. * rhoField1.get(iX-offsetX, iY-offsetY, iZ-offsetZ) + + 2. * rhoField1.get(iX-offsetX+1, iY-offsetY, iZ-offsetZ) + + rhoField1.get(iX-offsetX-1, iY-offsetY+1, iZ-offsetZ) + + 2. * rhoField1.get(iX-offsetX, iY-offsetY+1, iZ-offsetZ) + + rhoField1.get(iX-offsetX+1, iY-offsetY+1, iZ-offsetZ) + + rhoField1.get(iX-offsetX, iY-offsetY-1, iZ-offsetZ+1) + + rhoField1.get(iX-offsetX-1, iY-offsetY, iZ-offsetZ+1) + + 2. * rhoField1.get(iX-offsetX, iY-offsetY, iZ-offsetZ+1) + + rhoField1.get(iX-offsetX+1, iY-offsetY, iZ-offsetZ+1) + + rhoField1.get(iX-offsetX, iY-offsetY+1, iZ-offsetZ+1) + ); + + T laplaceRho2 = 1.0 / 6.0 * ( + rhoField2.get(iX-offsetX, iY-offsetY-1, iZ-offsetZ-1) + + rhoField2.get(iX-offsetX-1, iY-offsetY, iZ-offsetZ-1) + + 2. * rhoField2.get(iX-offsetX, iY-offsetY, iZ-offsetZ-1) + + rhoField2.get(iX-offsetX+1, iY-offsetY, iZ-offsetZ-1) + + rhoField2.get(iX-offsetX, iY-offsetY+1, iZ-offsetZ-1) + + rhoField2.get(iX-offsetX-1, iY-offsetY-1, iZ-offsetZ) + + 2. * rhoField2.get(iX-offsetX, iY-offsetY-1, iZ-offsetZ) + + rhoField2.get(iX-offsetX+1, iY-offsetY-1, iZ-offsetZ) + + 2. * rhoField2.get(iX-offsetX-1, iY-offsetY, iZ-offsetZ) + -24. * rhoField2.get(iX-offsetX, iY-offsetY, iZ-offsetZ) + + 2. * rhoField2.get(iX-offsetX+1, iY-offsetY, iZ-offsetZ) + + rhoField2.get(iX-offsetX-1, iY-offsetY+1, iZ-offsetZ) + + 2. * rhoField2.get(iX-offsetX, iY-offsetY+1, iZ-offsetZ) + + rhoField2.get(iX-offsetX+1, iY-offsetY+1, iZ-offsetZ) + + rhoField2.get(iX-offsetX, iY-offsetY-1, iZ-offsetZ+1) + + rhoField2.get(iX-offsetX-1, iY-offsetY, iZ-offsetZ+1) + + 2. * rhoField2.get(iX-offsetX, iY-offsetY, iZ-offsetZ+1) + + rhoField2.get(iX-offsetX+1, iY-offsetY, iZ-offsetZ+1) + + rhoField2.get(iX-offsetX, iY-offsetY+1, iZ-offsetZ+1) + ); + + T laplaceRho3 = 0.; + if (partners.size() > 1) { + laplaceRho3 = 1.0 / 6.0 * ( + rhoField3.get(iX-offsetX, iY-offsetY-1, iZ-offsetZ-1) + + rhoField3.get(iX-offsetX-1, iY-offsetY, iZ-offsetZ-1) + + 2. * rhoField3.get(iX-offsetX, iY-offsetY, iZ-offsetZ-1) + + rhoField3.get(iX-offsetX+1, iY-offsetY, iZ-offsetZ-1) + + rhoField3.get(iX-offsetX, iY-offsetY+1, iZ-offsetZ-1) + + rhoField3.get(iX-offsetX-1, iY-offsetY-1, iZ-offsetZ) + + 2. * rhoField3.get(iX-offsetX, iY-offsetY-1, iZ-offsetZ) + + rhoField3.get(iX-offsetX+1, iY-offsetY-1, iZ-offsetZ) + + 2. * rhoField3.get(iX-offsetX-1, iY-offsetY, iZ-offsetZ) + -24. * rhoField3.get(iX-offsetX, iY-offsetY, iZ-offsetZ) + + 2. * rhoField3.get(iX-offsetX+1, iY-offsetY, iZ-offsetZ) + + rhoField3.get(iX-offsetX-1, iY-offsetY+1, iZ-offsetZ) + + 2. * rhoField3.get(iX-offsetX, iY-offsetY+1, iZ-offsetZ) + + rhoField3.get(iX-offsetX+1, iY-offsetY+1, iZ-offsetZ) + + rhoField3.get(iX-offsetX, iY-offsetY-1, iZ-offsetZ+1) + + rhoField3.get(iX-offsetX-1, iY-offsetY, iZ-offsetZ+1) + + 2. * rhoField3.get(iX-offsetX, iY-offsetY, iZ-offsetZ+1) + + rhoField3.get(iX-offsetX+1, iY-offsetY, iZ-offsetZ+1) + + rhoField3.get(iX-offsetX, iY-offsetY+1, iZ-offsetZ+1) + ); + } + + // setting chemical potential to the respective lattices + blockLattice.get(iX,iY,iZ).template setField<descriptors::CHEM_POTENTIAL>( + term1 + term2 + + 0.25*alpha*alpha*( (kappa2 - kappa1) * laplaceRho2 + +(kappa2 + kappa1) * (laplaceRho3 - laplaceRho1) ) + ); + partnerLattice1->get(iX, iY, iZ).template setField<descriptors::CHEM_POTENTIAL>( + term1 - term2 + + 0.25*alpha*alpha*( (kappa2 - kappa1) * (laplaceRho1 - laplaceRho3) + -(kappa2 + kappa1) * laplaceRho2 ) + ); + if (partners.size() > 1) { + partnerLattice2->get(iX, iY, iZ).template setField<descriptors::CHEM_POTENTIAL>( + - term1 - term2 + term3 + + 0.25*alpha*alpha*( (kappa2 + kappa1) * laplaceRho1 + -(kappa2 - kappa1) * laplaceRho2 + -(kappa2 + kappa1 + 4.*kappa3) * laplaceRho3 ) + ); + } + } + } + } + } +} + +template<typename T, typename DESCRIPTOR> +void FreeEnergyChemicalPotentialCoupling3D<T,DESCRIPTOR>::process ( + BlockLattice3D<T,DESCRIPTOR>& blockLattice) +{ + processSubDomain(blockLattice, x0, x1, y0, y1, z0, z1); +} + +//////// FreeEnergyForceCoupling3D /////////////////////////////////// + +template<typename T, typename DESCRIPTOR> +FreeEnergyForceCoupling3D <T,DESCRIPTOR>::FreeEnergyForceCoupling3D ( + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_, + std::vector<SpatiallyExtendedObject3D*> partners_) + : x0(x0_), x1(x1_), y0(y0_), y1(y1_), z0(z0_), z1(z1_), partners(partners_) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyForceCoupling3D <T,DESCRIPTOR>::FreeEnergyForceCoupling3D ( + std::vector<SpatiallyExtendedObject3D*> partners_) + : x0(0), x1(0), y0(0), y1(0), z0(0), z1(0), partners(partners_) +{ } + +template<typename T, typename DESCRIPTOR> +void FreeEnergyForceCoupling3D<T,DESCRIPTOR>::processSubDomain ( + BlockLattice3D<T,DESCRIPTOR>& blockLattice, + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_ ) +{ + // If partners.size() == 1: two fluid components + // If partners.size() == 2: three fluid components + BlockLattice3D<T,DESCRIPTOR> *partnerLattice1 = dynamic_cast<BlockLattice3D<T,DESCRIPTOR> *>(partners[0]); + BlockLattice3D<T,DESCRIPTOR> *partnerLattice2 = 0; + if (partners.size() > 1) { + partnerLattice2 = dynamic_cast<BlockLattice3D<T,DESCRIPTOR> *>(partners[1]); + } + + int newX0, newX1, newY0, newY1, newZ0, newZ1; + if ( util::intersect ( x0, x1, y0, y1, z0, z1, + x0_, x1_, y0_, y1_, z0_, z1_, + newX0, newX1, newY0, newY1, newZ0, newZ1 ) ) { + + for (int iX=newX0; iX<=newX1; ++iX) { + for (int iY=newY0; iY<=newY1; ++iY) { + for (int iZ=newZ0; iZ<=newZ1; ++iZ) { + T phi = blockLattice.get(iX,iY,iZ).computeRho(); + T rho = partnerLattice1->get(iX,iY,iZ).computeRho(); + + T gradMuPhiX = 1./12. * ( -blockLattice.get(iX-1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - blockLattice.get(iX-1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + - blockLattice.get(iX-1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - 2.* blockLattice.get(iX-1,iY,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - blockLattice.get(iX-1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX+1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + 2.* blockLattice.get(iX+1,iY,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX+1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX+1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX+1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() ); + T gradMuPhiY = 1./12. * ( -blockLattice.get(iX-1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - blockLattice.get(iX+1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - blockLattice.get(iX,iY-1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - 2.* blockLattice.get(iX,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - blockLattice.get(iX,iY-1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX,iY+1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + + 2.* blockLattice.get(iX,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX,iY+1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX-1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX+1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() ); + T gradMuPhiZ = 1./12. * ( -blockLattice.get(iX,iY-1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - blockLattice.get(iX,iY+1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - blockLattice.get(iX-1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - 2.* blockLattice.get(iX,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - blockLattice.get(iX+1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX-1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + 2.* blockLattice.get(iX,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX+1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX,iY-1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + blockLattice.get(iX,iY+1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() ); + + T gradMuRhoX = 1./12. * ( -partnerLattice1->get(iX-1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice1->get(iX-1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice1->get(iX-1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - 2.* partnerLattice1->get(iX-1,iY,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice1->get(iX-1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX+1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + 2.* partnerLattice1->get(iX+1,iY,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX+1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX+1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX+1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() ); + T gradMuRhoY = 1./12. * ( -partnerLattice1->get(iX-1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice1->get(iX+1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice1->get(iX,iY-1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - 2.* partnerLattice1->get(iX,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice1->get(iX,iY-1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX,iY+1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + + 2.* partnerLattice1->get(iX,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX,iY+1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX-1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX+1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() ); + T gradMuRhoZ = 1./12. * ( -partnerLattice1->get(iX,iY-1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice1->get(iX,iY+1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice1->get(iX-1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - 2.* partnerLattice1->get(iX,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice1->get(iX+1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX-1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + 2.* partnerLattice1->get(iX,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX+1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX,iY-1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice1->get(iX,iY+1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() ); + + T psi = 0.; + T gradMuPsiX = 0.; + T gradMuPsiY = 0.; + T gradMuPsiZ = 0.; + if (partners.size() > 1) { + psi = partnerLattice2->get(iX,iY,iZ).computeRho(); + gradMuPsiX = 1./12. * ( -partnerLattice2->get(iX-1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice2->get(iX-1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice2->get(iX-1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - 2.* partnerLattice2->get(iX-1,iY,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice2->get(iX-1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX+1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + 2.* partnerLattice2->get(iX+1,iY,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX+1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX+1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX+1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() ); + gradMuPsiY = 1./12. * ( -partnerLattice2->get(iX-1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice2->get(iX+1,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice2->get(iX,iY-1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - 2.* partnerLattice2->get(iX,iY-1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice2->get(iX,iY-1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX,iY+1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + + 2.* partnerLattice2->get(iX,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX,iY+1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX-1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX+1,iY+1,iZ ).template getField<descriptors::CHEM_POTENTIAL>() ); + gradMuPsiZ = 1./12. * ( -partnerLattice2->get(iX,iY-1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice2->get(iX,iY+1,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice2->get(iX-1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - 2.* partnerLattice2->get(iX,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + - partnerLattice2->get(iX+1,iY,iZ-1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX-1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + 2.* partnerLattice2->get(iX,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX+1,iY,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX,iY-1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() + + partnerLattice2->get(iX,iY+1,iZ+1).template getField<descriptors::CHEM_POTENTIAL>() ); + } + + T forceX = -rho*gradMuRhoX - phi*gradMuPhiX - psi*gradMuPsiX; + T forceY = -rho*gradMuRhoY - phi*gradMuPhiY - psi*gradMuPsiY; + T forceZ = -rho*gradMuRhoZ - phi*gradMuPhiZ - psi*gradMuPsiZ; + partnerLattice1->get(iX,iY,iZ).template setField<descriptors::FORCE>({forceX, forceY, forceZ}); + T u[3]; + partnerLattice1->get(iX,iY,iZ).computeU(u); + blockLattice.get(iX,iY,iZ).template setField<descriptors::FORCE>(u); + if (partners.size() > 1) { + partnerLattice2->get(iX,iY,iZ).template setField<descriptors::FORCE>(u); + } + } + } + } + } +} + +template<typename T, typename DESCRIPTOR> +void FreeEnergyForceCoupling3D<T,DESCRIPTOR>::process ( + BlockLattice3D<T,DESCRIPTOR>& blockLattice) +{ + processSubDomain(blockLattice, x0, x1, y0, y1, z0, z1); +} + + +//////// FreeEnergyInletOutletCoupling3D /////////////////////////////////// + +template<typename T, typename DESCRIPTOR> +FreeEnergyInletOutletCoupling3D <T,DESCRIPTOR>::FreeEnergyInletOutletCoupling3D ( + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_, + std::vector<SpatiallyExtendedObject3D*> partners_) + : x0(x0_), x1(x1_), y0(y0_), y1(y1_), z0(z0_), z1(z1_), partners(partners_) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyInletOutletCoupling3D <T,DESCRIPTOR>::FreeEnergyInletOutletCoupling3D ( + std::vector<SpatiallyExtendedObject3D*> partners_) + : x0(0), x1(0), y0(0), y1(0), z0(0), z1(0), partners(partners_) +{ } + +template<typename T, typename DESCRIPTOR> +void FreeEnergyInletOutletCoupling3D<T,DESCRIPTOR>::processSubDomain ( + BlockLattice3D<T,DESCRIPTOR>& blockLattice, + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_ ) +{ + // If partners.size() == 1: two fluid components + // If partners.size() == 2: three fluid components + BlockLattice3D<T,DESCRIPTOR> *partnerLattice1 = dynamic_cast<BlockLattice3D<T,DESCRIPTOR> *>(partners[0]); + BlockLattice3D<T,DESCRIPTOR> *partnerLattice2 = 0; + if (partners.size() > 1) { + partnerLattice2 = dynamic_cast<BlockLattice3D<T,DESCRIPTOR> *>(partners[1]); + } + + int newX0, newX1, newY0, newY1, newZ0, newZ1; + if ( util::intersect ( x0, x1, y0, y1, z0, z1, + x0_, x1_, y0_, y1_, z0_, z1_, + newX0, newX1, newY0, newY1, newZ0, newZ1 ) ) { + for (int iX=newX0; iX<=newX1; ++iX) { + for (int iY=newY0; iY<=newY1; ++iY) { + for (int iZ=newZ0; iZ<=newZ1; ++iZ) { + T u[DESCRIPTOR::d]; + partnerLattice1->get(iX,iY,iZ).computeU(u); + blockLattice.get(iX,iY,iZ).defineU(u); + if (partners.size() > 1) { + partnerLattice2->get(iX,iY,iZ).defineU(u); + } + } + } + } + } +} + +template<typename T, typename DESCRIPTOR> +void FreeEnergyInletOutletCoupling3D<T,DESCRIPTOR>::process( + BlockLattice3D<T,DESCRIPTOR>& blockLattice) +{ + processSubDomain(blockLattice, x0, x1, y0, y1, z0, z1); +} + + +//////// FreeEnergyDensityOutletCoupling3D /////////////////////////////////// + +template<typename T, typename DESCRIPTOR> +FreeEnergyDensityOutletCoupling3D <T,DESCRIPTOR>::FreeEnergyDensityOutletCoupling3D ( + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_, T rho_, + std::vector<SpatiallyExtendedObject3D*> partners_) + : x0(x0_), x1(x1_), y0(y0_), y1(y1_), z0(z0_), z1(z1_), + rho(rho_), partners(partners_) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyDensityOutletCoupling3D <T,DESCRIPTOR>::FreeEnergyDensityOutletCoupling3D ( + T rho_, std::vector<SpatiallyExtendedObject3D*> partners_) + : x0(0), x1(0), y0(0), y1(0), z0(0), z1(0), rho(rho_), partners(partners_) +{ } + +template<typename T, typename DESCRIPTOR> +void FreeEnergyDensityOutletCoupling3D<T,DESCRIPTOR>::processSubDomain ( + BlockLattice3D<T,DESCRIPTOR>& blockLattice, + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_ ) +{ + // If partners.size() == 1: two fluid components + // If partners.size() == 2: three fluid components + BlockLattice3D<T,DESCRIPTOR> *partnerLattice1 = dynamic_cast<BlockLattice3D<T,DESCRIPTOR> *>(partners[0]); + BlockLattice3D<T,DESCRIPTOR> *partnerLattice2 = 0; + if (partners.size() > 1) { + partnerLattice2 = dynamic_cast<BlockLattice3D<T,DESCRIPTOR> *>(partners[1]); + } + + int newX0, newX1, newY0, newY1, newZ0, newZ1; + if ( util::intersect ( x0, x1, y0, y1, z0, z1, + x0_, x1_, y0_, y1_, z0_, z1_, + newX0, newX1, newY0, newY1, newZ0, newZ1 ) ) { + for (int iX=newX0; iX<=newX1; ++iX) { + for (int iY=newY0; iY<=newY1; ++iY) { + for (int iZ=newZ0; iZ<=newZ1; ++iZ) { + + T rho0, phi, psi; + rho0 = blockLattice.get(iX,iY,iZ).computeRho(); + phi = partnerLattice1->get(iX,iY,iZ).computeRho(); + blockLattice.get(iX,iY,iZ).defineRho(rho); + partnerLattice1->get(iX,iY,iZ).defineRho(phi * rho / rho0); + if (partners.size() > 1) { + psi = partnerLattice2->get(iX,iY,iZ).computeRho(); + partnerLattice2->get(iX,iY,iZ).defineRho(psi * rho / rho0); + } + + } + } + } + } +} + +template<typename T, typename DESCRIPTOR> +void FreeEnergyDensityOutletCoupling3D<T,DESCRIPTOR>::process( + BlockLattice3D<T,DESCRIPTOR>& blockLattice) +{ + processSubDomain(blockLattice, x0, x1, y0, y1, z0, z1); +} + + +//////// FreeEnergyChemicalPotentialGenerator3D /////////////////////////////////// + +template<typename T, typename DESCRIPTOR> +FreeEnergyChemicalPotentialGenerator3D<T,DESCRIPTOR>::FreeEnergyChemicalPotentialGenerator3D ( + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_, + T alpha_, T kappa1_, T kappa2_ ) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(x0_, x1_, y0_, y1_, z0_, z1_), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(0) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyChemicalPotentialGenerator3D<T,DESCRIPTOR>::FreeEnergyChemicalPotentialGenerator3D ( + T alpha_, T kappa1_, T kappa2_ ) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(0, 0, 0, 0, 0, 0), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(0) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyChemicalPotentialGenerator3D<T,DESCRIPTOR>::FreeEnergyChemicalPotentialGenerator3D ( + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_, + T alpha_, T kappa1_, T kappa2_, T kappa3_ ) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(x0_, x1_, y0_, y1_, z0_, z1_), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(kappa3_) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyChemicalPotentialGenerator3D<T,DESCRIPTOR>::FreeEnergyChemicalPotentialGenerator3D ( + T alpha_, T kappa1_, T kappa2_, T kappa3_ ) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(0, 0, 0, 0, 0, 0), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(kappa3_) +{ } + +template<typename T, typename DESCRIPTOR> +PostProcessor3D<T,DESCRIPTOR>* FreeEnergyChemicalPotentialGenerator3D<T,DESCRIPTOR>::generate ( + std::vector<SpatiallyExtendedObject3D*> partners) const +{ + return new FreeEnergyChemicalPotentialCoupling3D<T,DESCRIPTOR>( + this->x0, this->x1, this->y0, this->y1, this->z0, this->z1, + alpha, kappa1, kappa2, kappa3, partners); +} + +template<typename T, typename DESCRIPTOR> +LatticeCouplingGenerator3D<T,DESCRIPTOR>* +FreeEnergyChemicalPotentialGenerator3D<T,DESCRIPTOR>::clone() const +{ + return new FreeEnergyChemicalPotentialGenerator3D<T,DESCRIPTOR>(*this); +} + +//////// FreeEnergyForceGenerator3D /////////////////////////////////// + +template<typename T, typename DESCRIPTOR> +FreeEnergyForceGenerator3D<T,DESCRIPTOR>::FreeEnergyForceGenerator3D ( + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(x0_, x1_, y0_, y1_, z0_, z1_) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyForceGenerator3D<T,DESCRIPTOR>::FreeEnergyForceGenerator3D ( ) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(0, 0, 0, 0, 0, 0) +{ } + +template<typename T, typename DESCRIPTOR> +PostProcessor3D<T,DESCRIPTOR>* FreeEnergyForceGenerator3D<T,DESCRIPTOR>::generate ( + std::vector<SpatiallyExtendedObject3D*> partners) const +{ + return new FreeEnergyForceCoupling3D<T,DESCRIPTOR>( + this->x0, this->x1, this->y0, this->y1, this->z0, this->z1, partners); +} + +template<typename T, typename DESCRIPTOR> +LatticeCouplingGenerator3D<T,DESCRIPTOR>* FreeEnergyForceGenerator3D<T,DESCRIPTOR>::clone() const +{ + return new FreeEnergyForceGenerator3D<T,DESCRIPTOR>(*this); +} + +//////// FreeEnergyInletOutletGenerator3D /////////////////////////////////// + +template<typename T, typename DESCRIPTOR> +FreeEnergyInletOutletGenerator3D<T,DESCRIPTOR>::FreeEnergyInletOutletGenerator3D ( + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(x0_, x1_, y0_, y1_, z0_, z1_) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyInletOutletGenerator3D<T,DESCRIPTOR>::FreeEnergyInletOutletGenerator3D ( ) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(0, 0, 0, 0, 0, 0) +{ } + +template<typename T, typename DESCRIPTOR> +PostProcessor3D<T,DESCRIPTOR>* FreeEnergyInletOutletGenerator3D<T,DESCRIPTOR>::generate ( + std::vector<SpatiallyExtendedObject3D*> partners) const +{ + return new FreeEnergyInletOutletCoupling3D<T,DESCRIPTOR>( + this->x0, this->x1, this->y0, this->y1, this->z0, this->z1, partners); +} + +template<typename T, typename DESCRIPTOR> +LatticeCouplingGenerator3D<T,DESCRIPTOR>* FreeEnergyInletOutletGenerator3D<T,DESCRIPTOR>::clone() const +{ + return new FreeEnergyInletOutletGenerator3D<T,DESCRIPTOR>(*this); +} + +//////// FreeEnergyDensityOutletGenerator3D /////////////////////////////////// + +template<typename T, typename DESCRIPTOR> +FreeEnergyDensityOutletGenerator3D<T,DESCRIPTOR>::FreeEnergyDensityOutletGenerator3D ( + int x0_, int x1_, int y0_, int y1_, int z0_, int z1_, T rho_) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(x0_, x1_, y0_, y1_), rho(rho_) +{ } + +template<typename T, typename DESCRIPTOR> +FreeEnergyDensityOutletGenerator3D<T,DESCRIPTOR>::FreeEnergyDensityOutletGenerator3D ( + T rho_) + : LatticeCouplingGenerator3D<T,DESCRIPTOR>(0, 0, 0, 0, 0, 0), rho(rho_) +{ } + +template<typename T, typename DESCRIPTOR> +PostProcessor3D<T,DESCRIPTOR>* FreeEnergyDensityOutletGenerator3D<T,DESCRIPTOR>::generate ( + std::vector<SpatiallyExtendedObject3D*> partners) const +{ + return new FreeEnergyDensityOutletCoupling3D<T,DESCRIPTOR>( + this->x0,this->x1,this->y0,this->y1,this->z0,this->z1, rho, partners); +} + +template<typename T, typename DESCRIPTOR> +LatticeCouplingGenerator3D<T,DESCRIPTOR>* FreeEnergyDensityOutletGenerator3D<T,DESCRIPTOR>::clone() const +{ + return new FreeEnergyDensityOutletGenerator3D<T,DESCRIPTOR>(*this); +} + + +} // namespace olb + +#endif |