From 94d3e79a8617f88dc0219cfdeedfa3147833719d Mon Sep 17 00:00:00 2001 From: Adrian Kummerlaender Date: Mon, 24 Jun 2019 14:43:36 +0200 Subject: Initialize at openlb-1-3 --- src/dynamics/freeEnergyPostProcessor2D.hh | 511 ++++++++++++++++++++++++++++++ 1 file changed, 511 insertions(+) create mode 100644 src/dynamics/freeEnergyPostProcessor2D.hh (limited to 'src/dynamics/freeEnergyPostProcessor2D.hh') diff --git a/src/dynamics/freeEnergyPostProcessor2D.hh b/src/dynamics/freeEnergyPostProcessor2D.hh new file mode 100644 index 0000000..f6aa19f --- /dev/null +++ b/src/dynamics/freeEnergyPostProcessor2D.hh @@ -0,0 +1,511 @@ +/* This file is part of the OpenLB library + * + * Copyright (C) 2018 Robin Trunk, Sam Avis + * E-mail contact: info@openlb.net + * The most recent release of OpenLB can be downloaded at + * + * + * 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_2D_HH +#define FREE_ENERGY_POST_PROCESSOR_2D_HH + +#include "freeEnergyPostProcessor2D.h" +#include "core/blockLattice2D.h" + +namespace olb { + +//////// FreeEnergyChemicalPotentialCoupling2D /////////////////////////////////// + +template +FreeEnergyChemicalPotentialCoupling2D ::FreeEnergyChemicalPotentialCoupling2D ( + int x0_, int x1_, int y0_, int y1_, T alpha_, T kappa1_, T kappa2_, T kappa3_, + std::vector partners_) + : x0(x0_), x1(x1_), y0(y0_), y1(y1_), alpha(alpha_), kappa1(kappa1_), + kappa2(kappa2_), kappa3(kappa3_), partners(partners_) +{ } + +template +FreeEnergyChemicalPotentialCoupling2D ::FreeEnergyChemicalPotentialCoupling2D ( + T alpha_, T kappa1_, T kappa2_, T kappa3_, std::vector partners_) + : x0(0), x1(0), y0(0), y1(0), alpha(alpha_), kappa1(kappa1_), kappa2(kappa2_), + kappa3(kappa3_), partners(partners_) +{ } + +template +void FreeEnergyChemicalPotentialCoupling2D::processSubDomain ( + BlockLattice2D& blockLattice, int x0_, int x1_, int y0_, int y1_ ) +{ + // If partners.size() == 1: two fluid components + // If partners.size() == 2: three fluid components + BlockLattice2D *partnerLattice1 = dynamic_cast *>(partners[0]); + BlockLattice2D *partnerLattice2 = 0; + if (partners.size() > 1) { + partnerLattice2 = dynamic_cast *>(partners[1]); + } + + int newX0, newX1, newY0, newY1; + if ( util::intersect ( x0, x1, y0, y1, + x0_, x1_, y0_, y1_, + newX0, newX1, newY0, newY1 ) ) { + int nx = newX1-newX0+3; // include a one-cell boundary + int ny = newY1-newY0+3; // include a one-cell boundary + int offsetX = newX0-1; + int offsetY = newY0-1; + + // compute the density fields for each lattice + BlockData2D rhoField1(nx, ny); + BlockData2D rhoField2(nx, ny); + BlockData2D rhoField3(nx, ny); + for (int iX=newX0-1; iX<=newX1+1; ++iX) + for (int iY=newY0-1; iY<=newY1+1; ++iY) + rhoField1.get(iX-offsetX, iY-offsetY) = blockLattice.get(iX,iY).computeRho(); + for (int iX=newX0-1; iX<=newX1+1; ++iX) + for (int iY=newY0-1; iY<=newY1+1; ++iY) + rhoField2.get(iX-offsetX, iY-offsetY) = partnerLattice1->get(iX,iY).computeRho(); + if (partners.size() > 1) { + for (int iX=newX0-1; iX<=newX1+1; ++iX) + for (int iY=newY0-1; iY<=newY1+1; ++iY) + rhoField3.get(iX-offsetX, iY-offsetY) = partnerLattice2->get(iX,iY).computeRho(); + } + + // calculate chemical potential + for (int iX=newX0; iX<=newX1; ++iX) { + for (int iY=newY0; iY<=newY1; ++iY) { + T densitySum = rhoField1.get(iX-offsetX, iY-offsetY) + + rhoField2.get(iX-offsetX, iY-offsetY); + T densityDifference = rhoField1.get(iX-offsetX, iY-offsetY) + - rhoField2.get(iX-offsetX, iY-offsetY); + if (partners.size() > 1) { + densitySum -= rhoField3.get(iX-offsetX, iY-offsetY); + densityDifference -= rhoField3.get(iX-offsetX, iY-offsetY); + } + 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); + term3 = kappa3 * rho3 * (rho3 - 1.) * (2.*rho3 - 1.); + } + + T laplaceRho1 = 0.25 * ( + rhoField1.get(iX-offsetX-1, iY-offsetY-1) + + 2. * rhoField1.get(iX-offsetX, iY-offsetY-1) + + rhoField1.get(iX-offsetX+1, iY-offsetY-1) + + 2. * rhoField1.get(iX-offsetX-1, iY-offsetY) + -12. * rhoField1.get(iX-offsetX, iY-offsetY) + + 2. * rhoField1.get(iX-offsetX+1, iY-offsetY) + + rhoField1.get(iX-offsetX-1, iY-offsetY+1) + + 2. * rhoField1.get(iX-offsetX, iY-offsetY+1) + + rhoField1.get(iX-offsetX+1, iY-offsetY+1) + ); + T laplaceRho2 = 0.25 * ( + rhoField2.get(iX-offsetX-1, iY-offsetY-1) + + 2. * rhoField2.get(iX-offsetX, iY-offsetY-1) + + rhoField2.get(iX-offsetX+1, iY-offsetY-1) + + 2. * rhoField2.get(iX-offsetX-1, iY-offsetY) + -12. * rhoField2.get(iX-offsetX, iY-offsetY) + + 2. * rhoField2.get(iX-offsetX+1, iY-offsetY) + + rhoField2.get(iX-offsetX-1, iY-offsetY+1) + + 2. * rhoField2.get(iX-offsetX, iY-offsetY+1) + + rhoField2.get(iX-offsetX+1, iY-offsetY+1) + ); + T laplaceRho3 = 0.; + if (partners.size() > 1) { + laplaceRho3 = 0.25 * ( + rhoField3.get(iX-offsetX-1, iY-offsetY-1) + + 2. * rhoField3.get(iX-offsetX, iY-offsetY-1) + + rhoField3.get(iX-offsetX+1, iY-offsetY-1) + + 2. * rhoField3.get(iX-offsetX-1, iY-offsetY) + -12. * rhoField3.get(iX-offsetX, iY-offsetY) + + 2. * rhoField3.get(iX-offsetX+1, iY-offsetY) + + rhoField3.get(iX-offsetX-1, iY-offsetY+1) + + 2. * rhoField3.get(iX-offsetX, iY-offsetY+1) + + rhoField3.get(iX-offsetX+1, iY-offsetY+1) + ); + } + + // setting chemical potential to the respective lattices + blockLattice.get(iX, iY).template setField(term1 + term2 + + 0.25*alpha*alpha*( (kappa2 - kappa1) * laplaceRho2 + +(kappa2 + kappa1) * (laplaceRho3 - laplaceRho1) )); + partnerLattice1->get(iX, iY).template setField(term1 - term2 + + 0.25*alpha*alpha*( (kappa2 - kappa1) * (laplaceRho1 - laplaceRho3) + -(kappa2 + kappa1) * laplaceRho2 )); + if (partners.size() > 1) { + partnerLattice2->get(iX, iY).template setField(- term1 - term2 + term3 + + 0.25*alpha*alpha*( (kappa2 + kappa1) * laplaceRho1 + -(kappa2 - kappa1) * laplaceRho2 + -(kappa2 + kappa1 + 4.*kappa3) * laplaceRho3 )); + } + } + } + + } +} + +template +void FreeEnergyChemicalPotentialCoupling2D::process ( + BlockLattice2D& blockLattice) +{ + processSubDomain(blockLattice, x0, x1, y0, y1); +} + + +//////// FreeEnergyForceCoupling2D /////////////////////////////////// + +template +FreeEnergyForceCoupling2D ::FreeEnergyForceCoupling2D ( + int x0_, int x1_, int y0_, int y1_, + std::vector partners_) + : x0(x0_), x1(x1_), y0(y0_), y1(y1_), partners(partners_) +{ } + +template +FreeEnergyForceCoupling2D ::FreeEnergyForceCoupling2D ( + std::vector partners_) + : x0(0), x1(0), y0(0), y1(0), partners(partners_) +{ } + +template +void FreeEnergyForceCoupling2D::processSubDomain ( + BlockLattice2D& blockLattice, int x0_, int x1_, int y0_, int y1_ ) +{ + // If partners.size() == 1: two fluid components + // If partners.size() == 2: three fluid components + BlockLattice2D *partnerLattice1 = dynamic_cast *>(partners[0]); + BlockLattice2D *partnerLattice2 = 0; + if (partners.size() > 1) { + partnerLattice2 = dynamic_cast *>(partners[1]); + } + + int newX0, newX1, newY0, newY1; + if ( util::intersect ( x0, x1, y0, y1, + x0_, x1_, y0_, y1_, + newX0, newX1, newY0, newY1 ) ) { + + for (int iX=newX0; iX<=newX1; ++iX) { + for (int iY=newY0; iY<=newY1; ++iY) { + T phi = blockLattice.get(iX,iY).computeRho(); + T rho = partnerLattice1->get(iX,iY).computeRho(); + T gradMuPhiX = 1./12. * ( -blockLattice.get(iX-1,iY-1).template getField() + - 4.* blockLattice.get(iX-1,iY ).template getField() + - blockLattice.get(iX-1,iY+1).template getField() + + blockLattice.get(iX+1,iY-1).template getField() + + 4.* blockLattice.get(iX+1,iY ).template getField() + + blockLattice.get(iX+1,iY+1).template getField() ); + T gradMuPhiY = 1./12. * ( -blockLattice.get(iX-1,iY-1).template getField() + - 4.* blockLattice.get(iX ,iY-1).template getField() + - blockLattice.get(iX+1,iY-1).template getField() + + blockLattice.get(iX-1,iY+1).template getField() + + 4.* blockLattice.get(iX ,iY+1).template getField() + + blockLattice.get(iX+1,iY+1).template getField() ); + T gradMuRhoX = 1./12. * ( -partnerLattice1->get(iX-1,iY-1).template getField() + - 4.* partnerLattice1->get(iX-1,iY ).template getField() + - partnerLattice1->get(iX-1,iY+1).template getField() + + partnerLattice1->get(iX+1,iY-1).template getField() + + 4.* partnerLattice1->get(iX+1,iY ).template getField() + + partnerLattice1->get(iX+1,iY+1).template getField() ); + T gradMuRhoY = 1./12. * ( -partnerLattice1->get(iX-1,iY-1).template getField() + - 4.* partnerLattice1->get(iX ,iY-1).template getField() + - partnerLattice1->get(iX+1,iY-1).template getField() + + partnerLattice1->get(iX-1,iY+1).template getField() + + 4.* partnerLattice1->get(iX ,iY+1).template getField() + + partnerLattice1->get(iX+1,iY+1).template getField() ); + T psi = 0.; + T gradMuPsiX = 0.; + T gradMuPsiY = 0.; + if (partners.size() > 1) { + psi = partnerLattice2->get(iX,iY).computeRho(); + gradMuPsiX = 1./12. * ( -partnerLattice2->get(iX-1,iY-1).template getField() + - 4.* partnerLattice2->get(iX-1,iY ).template getField() + - partnerLattice2->get(iX-1,iY+1).template getField() + + partnerLattice2->get(iX+1,iY-1).template getField() + + 4.* partnerLattice2->get(iX+1,iY ).template getField() + + partnerLattice2->get(iX+1,iY+1).template getField() ); + gradMuPsiY = 1./12. * ( -partnerLattice2->get(iX-1,iY-1).template getField() + - 4.* partnerLattice2->get(iX ,iY-1).template getField() + - partnerLattice2->get(iX+1,iY-1).template getField() + + partnerLattice2->get(iX-1,iY+1).template getField() + + 4.* partnerLattice2->get(iX ,iY+1).template getField() + + partnerLattice2->get(iX+1,iY+1).template getField() ); + } + + T forceX = -rho*gradMuRhoX - phi*gradMuPhiX - psi*gradMuPsiX; + T forceY = -rho*gradMuRhoY - phi*gradMuPhiY - psi*gradMuPsiY; + partnerLattice1->get(iX, iY).template setField({forceX, forceY}); + T u[2]; + partnerLattice1->get(iX,iY).computeU(u); + blockLattice.get(iX, iY).template setField(u); + if (partners.size() > 1) { + partnerLattice2->get(iX, iY).template setField(u); + } + } + } + } +} + +template +void FreeEnergyForceCoupling2D::process( + BlockLattice2D& blockLattice) +{ + processSubDomain(blockLattice, x0, x1, y0, y1); +} + + +//////// FreeEnergyInletOutletCoupling2D /////////////////////////////////// + +template +FreeEnergyInletOutletCoupling2D ::FreeEnergyInletOutletCoupling2D ( + int x0_, int x1_, int y0_, int y1_, std::vector partners_) + : x0(x0_), x1(x1_), y0(y0_), y1(y1_), partners(partners_) +{ } + +template +FreeEnergyInletOutletCoupling2D ::FreeEnergyInletOutletCoupling2D ( + std::vector partners_) + : x0(0), x1(0), y0(0), y1(0), partners(partners_) +{ } + +template +void FreeEnergyInletOutletCoupling2D::processSubDomain ( + BlockLattice2D& blockLattice, int x0_, int x1_, int y0_, int y1_ ) +{ + // If partners.size() == 1: two fluid components + // If partners.size() == 2: three fluid components + BlockLattice2D *partnerLattice1 = dynamic_cast *>(partners[0]); + BlockLattice2D *partnerLattice2 = 0; + if (partners.size() > 1) { + partnerLattice2 = dynamic_cast *>(partners[1]); + } + + int newX0, newX1, newY0, newY1; + if ( util::intersect ( x0, x1, y0, y1, + x0_, x1_, y0_, y1_, + newX0, newX1, newY0, newY1 ) ) { + for (int iX=newX0; iX<=newX1; ++iX) { + for (int iY=newY0; iY<=newY1; ++iY) { + + T u[DESCRIPTOR::d]; + partnerLattice1->get(iX,iY).computeU(u); + blockLattice.get(iX,iY).defineU(u); + if (partners.size() > 1) { + partnerLattice2->get(iX,iY).defineU(u); + } + } + } + } +} + +template +void FreeEnergyInletOutletCoupling2D::process( + BlockLattice2D& blockLattice) +{ + processSubDomain(blockLattice, x0, x1, y0, y1); +} + + +//////// FreeEnergyDensityOutletCoupling2D /////////////////////////////////// + +template +FreeEnergyDensityOutletCoupling2D ::FreeEnergyDensityOutletCoupling2D ( + int x0_, int x1_, int y0_, int y1_, T rho_, + std::vector partners_) + : x0(x0_), x1(x1_), y0(y0_), y1(y1_), rho(rho_), partners(partners_) +{ } + +template +FreeEnergyDensityOutletCoupling2D ::FreeEnergyDensityOutletCoupling2D ( + T rho_, std::vector partners_) + : x0(0), x1(0), y0(0), y1(0), rho(rho_), partners(partners_) +{ } + +template +void FreeEnergyDensityOutletCoupling2D::processSubDomain ( + BlockLattice2D& blockLattice, int x0_, int x1_, int y0_, int y1_ ) +{ + // If partners.size() == 1: two fluid components + // If partners.size() == 2: three fluid components + BlockLattice2D *partnerLattice1 = dynamic_cast *>(partners[0]); + BlockLattice2D *partnerLattice2 = 0; + if (partners.size() > 1) { + partnerLattice2 = dynamic_cast *>(partners[1]); + } + + int newX0, newX1, newY0, newY1; + if ( util::intersect ( x0, x1, y0, y1, + x0_, x1_, y0_, y1_, + newX0, newX1, newY0, newY1 ) ) { + for (int iX=newX0; iX<=newX1; ++iX) { + for (int iY=newY0; iY<=newY1; ++iY) { + + T rho0, phi, psi; + rho0 = blockLattice.get(iX,iY).computeRho(); + phi = partnerLattice1->get(iX,iY).computeRho(); + blockLattice.get(iX,iY).defineRho(rho); + partnerLattice1->get(iX,iY).defineRho(phi * rho / rho0); + if (partners.size() > 1) { + psi = partnerLattice2->get(iX,iY).computeRho(); + partnerLattice2->get(iX,iY).defineRho(psi * rho / rho0); + } + + } + } + } +} + +template +void FreeEnergyDensityOutletCoupling2D::process( + BlockLattice2D& blockLattice) +{ + processSubDomain(blockLattice, x0, x1, y0, y1); +} + + +//////// FreeEnergyChemicalPotentialGenerator2D /////////////////////////////////// + +template +FreeEnergyChemicalPotentialGenerator2D::FreeEnergyChemicalPotentialGenerator2D ( + int x0_, int x1_, int y0_, int y1_, T alpha_, T kappa1_, T kappa2_) + : LatticeCouplingGenerator2D(x0_, x1_, y0_, y1_), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(0) +{ } + +template +FreeEnergyChemicalPotentialGenerator2D::FreeEnergyChemicalPotentialGenerator2D ( + T alpha_, T kappa1_, T kappa2_ ) + : LatticeCouplingGenerator2D(0, 0, 0, 0), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(0) +{ } + +template +FreeEnergyChemicalPotentialGenerator2D::FreeEnergyChemicalPotentialGenerator2D ( + int x0_, int x1_, int y0_, int y1_, T alpha_, T kappa1_, T kappa2_, T kappa3_) + : LatticeCouplingGenerator2D(x0_, x1_, y0_, y1_), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(kappa3_) +{ } + +template +FreeEnergyChemicalPotentialGenerator2D::FreeEnergyChemicalPotentialGenerator2D ( + T alpha_, T kappa1_, T kappa2_, T kappa3_ ) + : LatticeCouplingGenerator2D(0, 0, 0, 0), alpha(alpha_), + kappa1(kappa1_), kappa2(kappa2_), kappa3(kappa3_) +{ } + +template +PostProcessor2D* FreeEnergyChemicalPotentialGenerator2D::generate ( + std::vector partners) const +{ + return new FreeEnergyChemicalPotentialCoupling2D( + this->x0,this->x1,this->y0,this->y1, alpha, kappa1, kappa2, kappa3, partners); +} + +template +LatticeCouplingGenerator2D* +FreeEnergyChemicalPotentialGenerator2D::clone() const +{ + return new FreeEnergyChemicalPotentialGenerator2D(*this); +} + +//////// FreeEnergyForceGenerator2D /////////////////////////////////// + +template +FreeEnergyForceGenerator2D::FreeEnergyForceGenerator2D ( + int x0_, int x1_, int y0_, int y1_) + : LatticeCouplingGenerator2D(x0_, x1_, y0_, y1_) +{ } + +template +FreeEnergyForceGenerator2D::FreeEnergyForceGenerator2D ( ) + : LatticeCouplingGenerator2D(0, 0, 0, 0) +{ } + +template +PostProcessor2D* FreeEnergyForceGenerator2D::generate ( + std::vector partners) const +{ + return new FreeEnergyForceCoupling2D( + this->x0,this->x1,this->y0,this->y1, partners); +} + +template +LatticeCouplingGenerator2D* FreeEnergyForceGenerator2D::clone() const +{ + return new FreeEnergyForceGenerator2D(*this); +} + +//////// FreeEnergyInletOutletGenerator2D /////////////////////////////////// + +template +FreeEnergyInletOutletGenerator2D::FreeEnergyInletOutletGenerator2D ( + int x0_, int x1_, int y0_, int y1_) + : LatticeCouplingGenerator2D(x0_, x1_, y0_, y1_) +{ } + +template +FreeEnergyInletOutletGenerator2D::FreeEnergyInletOutletGenerator2D ( ) + : LatticeCouplingGenerator2D(0, 0, 0, 0) +{ } + +template +PostProcessor2D* FreeEnergyInletOutletGenerator2D::generate ( + std::vector partners) const +{ + return new FreeEnergyInletOutletCoupling2D( + this->x0,this->x1,this->y0,this->y1, partners); +} + +template +LatticeCouplingGenerator2D* FreeEnergyInletOutletGenerator2D::clone() const +{ + return new FreeEnergyInletOutletGenerator2D(*this); +} + +//////// FreeEnergyDensityOutletGenerator2D /////////////////////////////////// + +template +FreeEnergyDensityOutletGenerator2D::FreeEnergyDensityOutletGenerator2D ( + int x0_, int x1_, int y0_, int y1_, T rho_) + : LatticeCouplingGenerator2D(x0_, x1_, y0_, y1_), rho(rho_) +{ } + +template +FreeEnergyDensityOutletGenerator2D::FreeEnergyDensityOutletGenerator2D ( + T rho_) + : LatticeCouplingGenerator2D(0, 0, 0, 0), rho(rho_) +{ } + +template +PostProcessor2D* FreeEnergyDensityOutletGenerator2D::generate ( + std::vector partners) const +{ + return new FreeEnergyDensityOutletCoupling2D( + this->x0,this->x1,this->y0,this->y1, rho, partners); +} + +template +LatticeCouplingGenerator2D* FreeEnergyDensityOutletGenerator2D::clone() const +{ + return new FreeEnergyDensityOutletGenerator2D(*this); +} + + +} // namespace olb + +#endif -- cgit v1.2.3