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 --- examples/multiComponent/contactAngle2d/Makefile | 105 +++++ .../contactAngle2d/contactAngle2d.cpp | 389 ++++++++++++++++++ .../multiComponent/contactAngle2d/definitions.mk | 30 ++ examples/multiComponent/contactAngle2d/module.mk | 29 ++ examples/multiComponent/contactAngle3d/Makefile | 105 +++++ .../contactAngle3d/contactAngle3d.cpp | 393 ++++++++++++++++++ .../multiComponent/contactAngle3d/definitions.mk | 30 ++ examples/multiComponent/contactAngle3d/module.mk | 29 ++ examples/multiComponent/microFluidics2d/Makefile | 105 +++++ .../multiComponent/microFluidics2d/definitions.mk | 30 ++ .../microFluidics2d/microFluidics2d.cpp | 456 +++++++++++++++++++++ examples/multiComponent/microFluidics2d/module.mk | 29 ++ examples/multiComponent/phaseSeparation2d/Makefile | 105 +++++ .../phaseSeparation2d/definitions.mk | 30 ++ .../multiComponent/phaseSeparation2d/module.mk | 29 ++ .../phaseSeparation2d/phaseSeparation2d.cpp | 216 ++++++++++ examples/multiComponent/phaseSeparation3d/Makefile | 105 +++++ .../phaseSeparation3d/definitions.mk | 30 ++ .../multiComponent/phaseSeparation3d/module.mk | 29 ++ .../phaseSeparation3d/phaseSeparation3d.cpp | 217 ++++++++++ examples/multiComponent/rayleighTaylor2d/Makefile | 105 +++++ .../multiComponent/rayleighTaylor2d/definitions.mk | 30 ++ examples/multiComponent/rayleighTaylor2d/module.mk | 29 ++ .../rayleighTaylor2d/rayleighTaylor2d.cpp | 309 ++++++++++++++ examples/multiComponent/rayleighTaylor3d/Makefile | 105 +++++ .../multiComponent/rayleighTaylor3d/definitions.mk | 30 ++ examples/multiComponent/rayleighTaylor3d/module.mk | 29 ++ .../rayleighTaylor3d/rayleighTaylor3d.cpp | 312 ++++++++++++++ examples/multiComponent/youngLaplace2d/Makefile | 105 +++++ .../multiComponent/youngLaplace2d/definitions.mk | 30 ++ examples/multiComponent/youngLaplace2d/module.mk | 29 ++ .../youngLaplace2d/youngLaplace2d.cpp | 315 ++++++++++++++ examples/multiComponent/youngLaplace3d/Makefile | 105 +++++ .../multiComponent/youngLaplace3d/definitions.mk | 30 ++ examples/multiComponent/youngLaplace3d/module.mk | 29 ++ .../youngLaplace3d/youngLaplace3d.cpp | 316 ++++++++++++++ 36 files changed, 4399 insertions(+) create mode 100644 examples/multiComponent/contactAngle2d/Makefile create mode 100644 examples/multiComponent/contactAngle2d/contactAngle2d.cpp create mode 100644 examples/multiComponent/contactAngle2d/definitions.mk create mode 100644 examples/multiComponent/contactAngle2d/module.mk create mode 100644 examples/multiComponent/contactAngle3d/Makefile create mode 100644 examples/multiComponent/contactAngle3d/contactAngle3d.cpp create mode 100644 examples/multiComponent/contactAngle3d/definitions.mk create mode 100644 examples/multiComponent/contactAngle3d/module.mk create mode 100644 examples/multiComponent/microFluidics2d/Makefile create mode 100644 examples/multiComponent/microFluidics2d/definitions.mk create mode 100644 examples/multiComponent/microFluidics2d/microFluidics2d.cpp create mode 100644 examples/multiComponent/microFluidics2d/module.mk create mode 100644 examples/multiComponent/phaseSeparation2d/Makefile create mode 100644 examples/multiComponent/phaseSeparation2d/definitions.mk create mode 100644 examples/multiComponent/phaseSeparation2d/module.mk create mode 100644 examples/multiComponent/phaseSeparation2d/phaseSeparation2d.cpp create mode 100644 examples/multiComponent/phaseSeparation3d/Makefile create mode 100644 examples/multiComponent/phaseSeparation3d/definitions.mk create mode 100644 examples/multiComponent/phaseSeparation3d/module.mk create mode 100644 examples/multiComponent/phaseSeparation3d/phaseSeparation3d.cpp create mode 100644 examples/multiComponent/rayleighTaylor2d/Makefile create mode 100644 examples/multiComponent/rayleighTaylor2d/definitions.mk create mode 100644 examples/multiComponent/rayleighTaylor2d/module.mk create mode 100644 examples/multiComponent/rayleighTaylor2d/rayleighTaylor2d.cpp create mode 100644 examples/multiComponent/rayleighTaylor3d/Makefile create mode 100644 examples/multiComponent/rayleighTaylor3d/definitions.mk create mode 100644 examples/multiComponent/rayleighTaylor3d/module.mk create mode 100644 examples/multiComponent/rayleighTaylor3d/rayleighTaylor3d.cpp create mode 100644 examples/multiComponent/youngLaplace2d/Makefile create mode 100644 examples/multiComponent/youngLaplace2d/definitions.mk create mode 100644 examples/multiComponent/youngLaplace2d/module.mk create mode 100644 examples/multiComponent/youngLaplace2d/youngLaplace2d.cpp create mode 100644 examples/multiComponent/youngLaplace3d/Makefile create mode 100644 examples/multiComponent/youngLaplace3d/definitions.mk create mode 100644 examples/multiComponent/youngLaplace3d/module.mk create mode 100644 examples/multiComponent/youngLaplace3d/youngLaplace3d.cpp (limited to 'examples/multiComponent') diff --git a/examples/multiComponent/contactAngle2d/Makefile b/examples/multiComponent/contactAngle2d/Makefile new file mode 100644 index 0000000..a953954 --- /dev/null +++ b/examples/multiComponent/contactAngle2d/Makefile @@ -0,0 +1,105 @@ +# This file is part of the OpenLB library +# +# Copyright (C) 2007 Mathias Krause +# 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. + +########################################################################### +## definitions + +include definitions.mk + +include $(ROOT)/global.mk + +OBJECTS := $(foreach file, $(SRC), $(PWD)/$(file:.cpp=.o)) +DEPS := $(foreach file, $(SRC), $(PWD)/$(file:.cpp=.d)) + +########################################################################### +## all + +all : depend compile link + + +########################################################################### +## dependencies + +depend : $(DEPS) + +$(PWD)/%.d : %.cpp + @echo Create dependencies for $< + @$(SHELL) -ec '$(CXX) -M $(CXXFLAGS) $(IDIR) $< \ + | sed -e "s!$*\.o!$(PWD)\/$*\.o!1" > .tmpfile; \ + cp -f .tmpfile $@;' + +########################################################################### +## compile + +compile : $(OBJECTS) + +$(PWD)/%.o: %.cpp + @echo Compile $< + $(CXX) $(CXXFLAGS) $(IDIR) -c $< -o $@ + +########################################################################### +## clean + +clean : cleanrub cleanobj cleandep + +cleanrub: + @echo Clean rubbish files + @rm -f *~ core .tmpfile tmp/*.* $(OUTPUT) + @rm -f tmp/vtkData/*.* tmp/vtkData/data/*.* tmp/imageData/*.* tmp/gnuplotData/*.* tmp/gnuplotData/data/*.* + +cleanobj: + @echo Clean object files + @rm -f $(OBJECTS) + +cleandep: + @echo Clean dependencies files + @rm -f $(DEPS) + +cleanbuild: + @cd $(ROOT); \ + $(MAKE) cleanlib; + +########################################################################### +## update lib + +$(ROOT)/$(LIBDIR)/lib$(LIB).a : + @cd $(ROOT); \ + $(MAKE) all + +########################################################################### +## link + +link: $(OUTPUT) + +$(OUTPUT): $(OBJECTS) $(ROOT)/$(LIBDIR)/lib$(LIB).a + @echo Link $@ + $(CXX) $(foreach file, $(SRC), $(file:.cpp=.o)) $(LDFLAGS) -L$(ROOT)/$(LIBDIR) -l$(LIB) -lz -o $@ + +########################################################################### +## include dependencies + +ifneq "$(strip $(wildcard *.d))" "" + include $(foreach file,$(DEPS),$(file)) +endif + +########################################################################### +########################################################################### diff --git a/examples/multiComponent/contactAngle2d/contactAngle2d.cpp b/examples/multiComponent/contactAngle2d/contactAngle2d.cpp new file mode 100644 index 0000000..5726b65 --- /dev/null +++ b/examples/multiComponent/contactAngle2d/contactAngle2d.cpp @@ -0,0 +1,389 @@ +/* Lattice Boltzmann sample, written in C++, using the OpenLB + * library + * + * Copyright (C) 2019 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. + */ + +/* contactAngle2d.cpp + * In this example a semi-circular droplet of fluid is initialised + * within a different fluid at a solid boundary. The contact angle + * is measured as the droplet comes to equilibrium. This is compared + * with the analytical angle (100 degrees) predicted by the + * parameters set for the boundary. + * + * This example demonstrates how to use the wetting solid boundaries + * for the free-energy model with two fluid components. + */ + +#include "olb2D.h" +#include "olb2D.hh" // use only generic version! +#include +#include +#include +#include + +using namespace olb; +using namespace olb::descriptors; +using namespace olb::graphics; +using namespace std; + +typedef double T; +#define DESCRIPTOR D2Q9 + +// Parameters for the simulation setup +const int N = 75; +const T nx = 75.; +const T ny = 50.; +const T radius = 0.25 * nx; + +const T alpha = 1.; // Interfacial width [lattice units] +const T kappa1 = 0.005; // For surface tensions [lattice units] +const T kappa2 = 0.005; // For surface tensions [lattice units] +const T gama = 10.; // For mobility of interface [lattice units] +const T h1 = 0.0001448; // Contact angle 100 degrees [lattice units] +const T h2 = -0.0001448; // Contact angle 100 degrees [lattice units] + +const int maxIter = 70000; +const int vtkIter = 1000; +const int statIter = 1000; +const bool calcAngle = true; + +T angle_prev = 90.; + + +void prepareGeometry( SuperGeometry2D& superGeometry, + UnitConverter& converter) { + + OstreamManager clout( std::cout,"prepareGeometry" ); + clout << "Prepare Geometry ..." << std::endl; + + superGeometry.rename( 0,2 ); + + Vector extend(nx+2., ny-1.*converter.getPhysDeltaX() ); + Vector origin( -1., 0.5*converter.getPhysDeltaX() ); + IndicatorCuboid2D inner ( extend, origin ); + superGeometry.rename( 2,1,inner ); + + superGeometry.innerClean(); + superGeometry.checkForErrors(); + superGeometry.print(); + + clout << "Prepare Geometry ... OK" << std::endl; +} + + +void prepareLattice( SuperLattice2D& sLattice1, + SuperLattice2D& sLattice2, + Dynamics& bulkDynamics1, + Dynamics& bulkDynamics2, + UnitConverter& converter, + SuperGeometry2D& superGeometry, + sOnLatticeBoundaryCondition2D& sOnBC1, + sOnLatticeBoundaryCondition2D& sOnBC2 ) { + + OstreamManager clout( std::cout,"prepareLattice" ); + clout << "Prepare Lattice ..." << std::endl; + + // Define lattice Dynamics + sLattice1.defineDynamics( superGeometry, 0, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 0, &instances::getNoDynamics() ); + sLattice1.defineDynamics( superGeometry, 1, &bulkDynamics1 ); + sLattice2.defineDynamics( superGeometry, 1, &bulkDynamics2 ); + sLattice1.defineDynamics( superGeometry, 2, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 2, &instances::getNoDynamics() ); + + // Add wall boundary + sOnBC1.addFreeEnergyWallBoundary( superGeometry, 2, alpha, kappa1, kappa2, h1, h2, 1 ); + sOnBC2.addFreeEnergyWallBoundary( superGeometry, 2, alpha, kappa1, kappa2, h1, h2, 2 ); + + // Bulk initial conditions + // Define circular domain for fluid 2 + std::vector v( 2,T() ); + AnalyticalConst2D zeroVelocity( v ); + + AnalyticalConst2D one( 1.0 ); + SmoothIndicatorCircle2D circle( {nx/2., 0.}, radius, 10.*alpha ); + + AnalyticalIdentity2D rho( one ); + AnalyticalIdentity2D phi( one - circle - circle ); + + sLattice1.iniEquilibrium( superGeometry, 1, rho, zeroVelocity ); + sLattice2.iniEquilibrium( superGeometry, 1, phi, zeroVelocity ); + + sLattice1.iniEquilibrium( superGeometry, 2, rho, zeroVelocity ); + sLattice2.iniEquilibrium( superGeometry, 2, phi, zeroVelocity ); + + sLattice1.initialize(); + sLattice2.initialize(); + + sLattice1.communicate(); + sLattice2.communicate(); + + clout << "Prepare Lattice ... OK" << std::endl; +} + + +void prepareCoupling( SuperLattice2D& sLattice1, + SuperLattice2D& sLattice2, + SuperGeometry2D& superGeometry ) { + + OstreamManager clout( std::cout,"prepareCoupling" ); + clout << "Add lattice coupling" << endl; + + // Add the lattice couplings (not to the solid nodes) + // The chemical potential coupling must come before the force coupling + FreeEnergyChemicalPotentialGenerator2D coupling1( + alpha, kappa1, kappa2); + FreeEnergyForceGenerator2D coupling2; + + sLattice1.addLatticeCoupling( superGeometry, 1, coupling1, sLattice2 ); + sLattice2.addLatticeCoupling( superGeometry, 1, coupling2, sLattice1 ); + + clout << "Add lattice coupling ... OK!" << endl; +} + + +void getResults( SuperLattice2D& sLattice1, + SuperLattice2D& sLattice2, int iT, + SuperGeometry2D& superGeometry, Timer& timer, + UnitConverter converter ) { + + OstreamManager clout( std::cout,"getResults" ); + SuperVTMwriter2D vtmWriter( "contactAngle2d" ); + + if ( iT==0 ) { + // Writes the geometry, cuboid no. and rank no. as vti file for visualization + SuperLatticeGeometry2D geometry( sLattice1, superGeometry ); + SuperLatticeCuboid2D cuboid( sLattice1 ); + SuperLatticeRank2D rank( sLattice1 ); + vtmWriter.write( geometry ); + vtmWriter.write( cuboid ); + vtmWriter.write( rank ); + vtmWriter.createMasterFile(); + } + + // Get statistics + if ( iT%statIter==0 ) { + // Timer console output + timer.update( iT ); + timer.printStep(); + sLattice1.getStatistics().print( iT, converter.getPhysTime(iT) ); + sLattice2.getStatistics().print( iT, converter.getPhysTime(iT) ); + } + + // Writes the VTK files + if ( iT%vtkIter==0 ) { + AnalyticalConst2D half_( 0.5 ); + SuperLatticeFfromAnalyticalF2D half(half_, sLattice1); + + SuperLatticeVelocity2D velocity( sLattice1 ); + SuperLatticeDensity2D rho( sLattice1 ); + rho.getName() = "rho"; + SuperLatticeDensity2D phi( sLattice2 ); + phi.getName() = "phi"; + + SuperIdentity2D c1 (half*(rho+phi)); + c1.getName() = "density-fluid-1"; + SuperIdentity2D c2 (half*(rho-phi)); + c2.getName() = "density-fluid-2"; + + vtmWriter.addFunctor( velocity ); + vtmWriter.addFunctor( rho ); + vtmWriter.addFunctor( phi ); + vtmWriter.addFunctor( c1 ); + vtmWriter.addFunctor( c2 ); + vtmWriter.write( iT ); + + // Evaluation of contact angle + if (calcAngle) { + int Ny = (int)( N * ny / nx ); + T dx = converter.getPhysDeltaX(); + AnalyticalFfromSuperF2D interpolPhi( phi, true, 1 ); + + T base1 = 0.; + T base2 = 0.; + T height1 = 0.; + T height2 = 0.; + + double pos[2] = {0., dx}; + for(int ix=0; ix 0.) { + pos[1] = (iy-1) * dx; + interpolPhi( &phi2, pos ); + height1 = iy - 1. - phi1/(phi1-phi2); + height2 = iy - 3. - phi1/(phi1-phi2); + break; + } + } + + // Calculate simulated contact angle + T pi = 3.14159265; + T height = height1 + 1.; + T base = base1 + 2 * (radius - height1) / base1; + T radius = (4.*height2*height2 + base2*base2) / ( 8.*height2 ); + T angle_rad = pi + atan( 0.5*base / (radius - height) ); + T angle = angle_rad * 180. / pi; + if ( angle > 180. ) angle -= 180.; + + // Calculate theoretical contact angle + T ak1 = alpha * kappa1; + T ak2 = alpha * kappa2; + T k12 = kappa1 + kappa2; + T num1 = pow(ak1 + 4 * h1, 1.5) - pow(ak1 - 4 * h1, 1.5); + T num2 = pow(ak2 + 4 * h2, 1.5) - pow(ak2 - 4 * h2, 1.5); + T angle_an = 180 / pi * acos(num2 / (2 * k12 * sqrt(ak2)) - \ + num1 / (2 * k12 * sqrt(ak1))); + + clout << "----->>>>> Contact angle: " << angle << " ; "; + clout << "Analytical contact angle: " << angle_an << std::endl; + clout << "----->>>>> Difference to previous: " << angle-angle_prev << std::endl; + angle_prev = angle; + } + } +} + + +int main( int argc, char *argv[] ) { + + // === 1st Step: Initialization === + + olbInit( &argc, &argv ); + singleton::directories().setOutputDir( "./tmp/" ); + OstreamManager clout( std::cout,"main" ); + + UnitConverterFromResolutionAndRelaxationTime converter( + (T) N, // resolution + (T) 1., // lattice relaxation time (tau) + (T) nx, // charPhysLength: reference length of simulation geometry + (T) 0.0001, // charPhysVelocity: maximal/highest expected velocity during simulation in __m / s__ + (T) 1.002e-8, // physViscosity: physical kinematic viscosity in __m^2 / s__ + (T) 1. // physDensity: physical density in __kg / m^3__ + ); + + // Prints the converter log as console output + converter.print(); + + // === 2nd Step: Prepare Geometry === + std::vector extend = { nx, ny }; + std::vector origin = { 0., 0. }; + IndicatorCuboid2D cuboid(extend,origin); +#ifdef PARALLEL_MODE_MPI + CuboidGeometry2D cGeometry( cuboid, converter.getPhysDeltaX(), singleton::mpi().getSize() ); +#else + CuboidGeometry2D cGeometry( cuboid, converter.getPhysDeltaX() ); +#endif + + // Set periodic boundaries to the domain + cGeometry.setPeriodicity( true, false ); + + // Instantiation of loadbalancer + HeuristicLoadBalancer loadBalancer( cGeometry ); + loadBalancer.print(); + + // Instantiation of superGeometry + SuperGeometry2D superGeometry( cGeometry,loadBalancer ); + + prepareGeometry( superGeometry, converter ); + + // === 3rd Step: Prepare Lattice === + SuperLattice2D sLattice1( superGeometry ); + SuperLattice2D sLattice2( superGeometry ); + + ForcedBGKdynamics bulkDynamics1 ( + converter.getLatticeRelaxationFrequency(), + instances::getBulkMomenta() ); + + FreeEnergyBGKdynamics bulkDynamics2 ( + converter.getLatticeRelaxationFrequency(), gama, + instances::getBulkMomenta() ); + + sOnLatticeBoundaryCondition2D sOnBC1( sLattice1 ); + sOnLatticeBoundaryCondition2D sOnBC2( sLattice2 ); + createLocalBoundaryCondition2D (sOnBC1); + createLocalBoundaryCondition2D (sOnBC2); + + prepareLattice( sLattice1, sLattice2, bulkDynamics1, bulkDynamics2, + converter, superGeometry, sOnBC1, sOnBC2 ); + + prepareCoupling( sLattice1, sLattice2, superGeometry); + + SuperExternal2D sExternal1 (superGeometry, sLattice1, sLattice1.getOverlap() ); + SuperExternal2D sExternal2 (superGeometry, sLattice2, sLattice2.getOverlap() ); + + // === 4th Step: Main Loop with Timer === + int iT = 0; + clout << "starting simulation..." << endl; + Timer timer( maxIter, superGeometry.getStatistics().getNvoxel() ); + timer.start(); + + for ( iT=0; iT<=maxIter; ++iT ) { + // Computation and output of the results + getResults( sLattice1, sLattice2, iT, superGeometry, timer, converter ); + + // Collide and stream execution + sLattice1.collideAndStream(); + sLattice2.collideAndStream(); + + // MPI communication for lattice data + sLattice1.communicate(); + sLattice2.communicate(); + + // Execute coupling between the two lattices + sLattice1.executeCoupling(); + sExternal1.communicate(); + sExternal2.communicate(); + sLattice2.executeCoupling(); + } + + timer.stop(); + timer.printSummary(); + +} + diff --git a/examples/multiComponent/contactAngle2d/definitions.mk b/examples/multiComponent/contactAngle2d/definitions.mk new file mode 100644 index 0000000..57bdd14 --- /dev/null +++ b/examples/multiComponent/contactAngle2d/definitions.mk @@ -0,0 +1,30 @@ +# This file is part of the OpenLB library +# +# Copyright (C) 2007 Mathias Krause +# 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. + + +########################################################################### +########################################################################### +## DEFINITIONS TO BE CHANGED + +ROOT := ../../.. +SRC := contactAngle2d.cpp +OUTPUT := contactAngle2d diff --git a/examples/multiComponent/contactAngle2d/module.mk b/examples/multiComponent/contactAngle2d/module.mk new file mode 100644 index 0000000..1190482 --- /dev/null +++ b/examples/multiComponent/contactAngle2d/module.mk @@ -0,0 +1,29 @@ +# This file is part of the OpenLB library +# +# Copyright (C) 2017 Markus Mohrhard +# 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. + +current_dir := $(dir $(word $(words $(MAKEFILE_LIST)),$(MAKEFILE_LIST))) + +include global.mk +include rules.mk +include $(addsuffix definitions.mk, $(current_dir)) + +$(eval $(call sample,$(current_dir)$(OUTPUT),$(addprefix $(current_dir), $(SRC)))) diff --git a/examples/multiComponent/contactAngle3d/Makefile b/examples/multiComponent/contactAngle3d/Makefile new file mode 100644 index 0000000..a953954 --- /dev/null +++ b/examples/multiComponent/contactAngle3d/Makefile @@ -0,0 +1,105 @@ +# This file is part of the OpenLB library +# +# Copyright (C) 2007 Mathias Krause +# 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. + +########################################################################### +## definitions + +include definitions.mk + +include $(ROOT)/global.mk + +OBJECTS := $(foreach file, $(SRC), $(PWD)/$(file:.cpp=.o)) +DEPS := $(foreach file, $(SRC), $(PWD)/$(file:.cpp=.d)) + +########################################################################### +## all + +all : depend compile link + + +########################################################################### +## dependencies + +depend : $(DEPS) + +$(PWD)/%.d : %.cpp + @echo Create dependencies for $< + @$(SHELL) -ec '$(CXX) -M $(CXXFLAGS) $(IDIR) $< \ + | sed -e "s!$*\.o!$(PWD)\/$*\.o!1" > .tmpfile; \ + cp -f .tmpfile $@;' + +########################################################################### +## compile + +compile : $(OBJECTS) + +$(PWD)/%.o: %.cpp + @echo Compile $< + $(CXX) $(CXXFLAGS) $(IDIR) -c $< -o $@ + +########################################################################### +## clean + +clean : cleanrub cleanobj cleandep + +cleanrub: + @echo Clean rubbish files + @rm -f *~ core .tmpfile tmp/*.* $(OUTPUT) + @rm -f tmp/vtkData/*.* tmp/vtkData/data/*.* tmp/imageData/*.* tmp/gnuplotData/*.* tmp/gnuplotData/data/*.* + +cleanobj: + @echo Clean object files + @rm -f $(OBJECTS) + +cleandep: + @echo Clean dependencies files + @rm -f $(DEPS) + +cleanbuild: + @cd $(ROOT); \ + $(MAKE) cleanlib; + +########################################################################### +## update lib + +$(ROOT)/$(LIBDIR)/lib$(LIB).a : + @cd $(ROOT); \ + $(MAKE) all + +########################################################################### +## link + +link: $(OUTPUT) + +$(OUTPUT): $(OBJECTS) $(ROOT)/$(LIBDIR)/lib$(LIB).a + @echo Link $@ + $(CXX) $(foreach file, $(SRC), $(file:.cpp=.o)) $(LDFLAGS) -L$(ROOT)/$(LIBDIR) -l$(LIB) -lz -o $@ + +########################################################################### +## include dependencies + +ifneq "$(strip $(wildcard *.d))" "" + include $(foreach file,$(DEPS),$(file)) +endif + +########################################################################### +########################################################################### diff --git a/examples/multiComponent/contactAngle3d/contactAngle3d.cpp b/examples/multiComponent/contactAngle3d/contactAngle3d.cpp new file mode 100644 index 0000000..9f08d4e --- /dev/null +++ b/examples/multiComponent/contactAngle3d/contactAngle3d.cpp @@ -0,0 +1,393 @@ +/* Lattice Boltzmann sample, written in C++, using the OpenLB + * library + * + * Copyright (C) 2008 Orestis Malaspinas, Andrea Parmigiani + * 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. + */ + +/* contactAngle3d.cpp + * In this example a semi-spherical droplet of fluid is initialised + * within a different fluid at a solid boundary. The contact angle + * is measured as the droplet comes to equilibrium. This is compared + * with the analytical angle (100 degrees) predicted by the + * parameters set for the boundary. + * + * This example demonstrates how to use the wetting solid boundaries + * for the free-energy model with two fluid components. + */ + +#include "olb3D.h" +#include "olb3D.hh" // use only generic version! +#include +#include +#include +#include + +using namespace olb; +using namespace olb::descriptors; +using namespace olb::graphics; +using namespace std; + +typedef double T; +#define DESCRIPTOR D3Q19 + +// Parameters for the simulation setup +const int N = 75; +const T nxy = 75.; +const T nz = 50.; +const T radius = 0.25 * nxy; + +const T alpha = 1.; // Interfacial width [lattice units] +const T kappa1 = 0.005; // For surface tensions [lattice units] +const T kappa2 = 0.005; // For surface tensions [lattice units] +const T gama = 10.; // For mobility of interface [lattice units] +const T h1 = 0.0001448; // Contact angle 80 degrees [lattice units] +const T h2 = -0.0001448; // Contact angle 100 degrees [lattice units] + +const int maxIter = 70000; +const int vtkIter = 200; +const int statIter = 200; +const bool calcAngle = true; + +T angle_prev = 90.; + + +void prepareGeometry( SuperGeometry3D& superGeometry, + UnitConverter& converter) { + + OstreamManager clout( std::cout,"prepareGeometry" ); + clout << "Prepare Geometry ..." << std::endl; + + superGeometry.rename( 0,2 ); + + Vector extend(nxy+2., nxy+2., nz-1.*converter.getPhysDeltaX() ); + Vector origin( -1., -1., 0.5*converter.getPhysDeltaX() ); + IndicatorCuboid3D inner ( extend, origin ); + superGeometry.rename( 2,1,inner ); + + superGeometry.innerClean(); + superGeometry.checkForErrors(); + superGeometry.print(); + + clout << "Prepare Geometry ... OK" << std::endl; +} + + +void prepareLattice( SuperLattice3D& sLattice1, + SuperLattice3D& sLattice2, + Dynamics& bulkDynamics1, + Dynamics& bulkDynamics2, + UnitConverter& converter, + SuperGeometry3D& superGeometry, + sOnLatticeBoundaryCondition3D& sOnBC1, + sOnLatticeBoundaryCondition3D& sOnBC2 ) { + + OstreamManager clout( std::cout,"prepareLattice" ); + clout << "Prepare Lattice ..." << std::endl; + + // Define lattice Dynamics + sLattice1.defineDynamics( superGeometry, 0, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 0, &instances::getNoDynamics() ); + sLattice1.defineDynamics( superGeometry, 1, &bulkDynamics1 ); + sLattice2.defineDynamics( superGeometry, 1, &bulkDynamics2 ); + sLattice1.defineDynamics( superGeometry, 2, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 2, &instances::getNoDynamics() ); + + // Add wall boundary + sOnBC1.addFreeEnergyWallBoundary( superGeometry, 2, alpha, kappa1, kappa2, h1, h2, 1 ); + sOnBC2.addFreeEnergyWallBoundary( superGeometry, 2, alpha, kappa1, kappa2, h1, h2, 2 ); + + // Bulk initial conditions + // Define spherical domain for fluid 2 + std::vector v( 3,T() ); + AnalyticalConst3D zeroVelocity( v ); + + AnalyticalConst3D one( 1.0 ); + SmoothIndicatorSphere3D sphere( {nxy/2., nxy/2., 0.}, radius, 10.*alpha ); + + AnalyticalIdentity3D rho( one ); + AnalyticalIdentity3D phi( one - sphere - sphere ); + + sLattice1.iniEquilibrium( superGeometry, 1, rho, zeroVelocity ); + sLattice2.iniEquilibrium( superGeometry, 1, phi, zeroVelocity ); + + sLattice1.iniEquilibrium( superGeometry, 2, rho, zeroVelocity ); + sLattice2.iniEquilibrium( superGeometry, 2, phi, zeroVelocity ); + + sLattice1.initialize(); + sLattice2.initialize(); + + sLattice1.communicate(); + sLattice2.communicate(); + + clout << "Prepare Lattice ... OK" << std::endl; +} + + +void prepareCoupling( SuperLattice3D& sLattice1, + SuperLattice3D& sLattice2, + SuperGeometry3D& superGeometry ) { + + OstreamManager clout( std::cout,"prepareCoupling" ); + clout << "Add lattice coupling" << endl; + + // Add the lattice couplings (not to the solid nodes) + // The chemical potential coupling must come before the force coupling + FreeEnergyChemicalPotentialGenerator3D coupling1( + alpha, kappa1, kappa2); + FreeEnergyForceGenerator3D coupling2; + + // Suppress compiler warnings + coupling1.shift(0, 0, 0); + coupling2.shift(0, 0, 0); + + sLattice1.addLatticeCoupling( superGeometry, 1, coupling1, sLattice2 ); + sLattice2.addLatticeCoupling( superGeometry, 1, coupling2, sLattice1 ); + + clout << "Add lattice coupling ... OK!" << endl; +} + + +void getResults( SuperLattice3D& sLattice1, + SuperLattice3D& sLattice2, int iT, + SuperGeometry3D& superGeometry, Timer& timer, + UnitConverter converter ) { + + OstreamManager clout( std::cout,"getResults" ); + SuperVTMwriter3D vtmWriter( "contactAngle3d" ); + + if ( iT==0 ) { + // Writes the geometry, cuboid no. and rank no. as vti file for visualization + SuperLatticeGeometry3D geometry( sLattice1, superGeometry ); + SuperLatticeCuboid3D cuboid( sLattice1 ); + SuperLatticeRank3D rank( sLattice1 ); + vtmWriter.write( geometry ); + vtmWriter.write( cuboid ); + vtmWriter.write( rank ); + vtmWriter.createMasterFile(); + } + + // Get statistics + if ( iT%statIter==0 ) { + // Timer console output + timer.update( iT ); + timer.printStep(); + sLattice1.getStatistics().print( iT, converter.getPhysTime(iT) ); + sLattice2.getStatistics().print( iT, converter.getPhysTime(iT) ); + } + + // Writes the VTK files + if ( iT%vtkIter==0 ) { + AnalyticalConst3D half_( 0.5 ); + SuperLatticeFfromAnalyticalF3D half(half_, sLattice1); + + SuperLatticeVelocity3D velocity( sLattice1 ); + SuperLatticeDensity3D rho( sLattice1 ); + rho.getName() = "rho"; + SuperLatticeDensity3D phi( sLattice2 ); + phi.getName() = "phi"; + + SuperIdentity3D c1 (half*(rho+phi)); + c1.getName() = "density-fluid-1"; + SuperIdentity3D c2 (half*(rho-phi)); + c2.getName() = "density-fluid-2"; + + vtmWriter.addFunctor( velocity ); + vtmWriter.addFunctor( rho ); + vtmWriter.addFunctor( phi ); + vtmWriter.addFunctor( c1 ); + vtmWriter.addFunctor( c2 ); + vtmWriter.write( iT ); + + // Evaluation of contact angle + if (calcAngle) { + int Nz = (int)( N * nz / nxy ); + T dx = converter.getPhysDeltaX(); + AnalyticalFfromSuperF3D interpolPhi( phi, true, 1 ); + + T base1 = 0.; + T base2 = 0.; + T height1 = 0.; + T height2 = 0.; + + double pos[3] = {0., nxy/2., dx}; + for(int ix=0; ix 0.) { + pos[2] = (iz-1) * dx; + interpolPhi( &phi2, pos ); + height1 = iz - 1. - phi1/(phi1-phi2); + height2 = iz - 3. - phi1/(phi1-phi2); + break; + } + } + + // Calculate simulated contact angle + T pi = 3.14159265; + T height = height1 + 1.; + T base = base1 + 2 * (radius - height1) / base1; + T radius = (4.*height2*height2 + base2*base2) / ( 8.*height2 ); + T angle_rad = pi + atan( 0.5*base / (radius - height) ); + T angle = angle_rad * 180. / pi; + if ( angle > 180. ) angle -= 180.; + + // Calculate theoretical contact angle + T ak1 = alpha * kappa1; + T ak2 = alpha * kappa2; + T k12 = kappa1 + kappa2; + T num1 = pow(ak1 + 4 * h1, 1.5) - pow(ak1 - 4 * h1, 1.5); + T num2 = pow(ak2 + 4 * h2, 1.5) - pow(ak2 - 4 * h2, 1.5); + T angle_an = 180 / pi * acos(num2 / (2 * k12 * sqrt(ak2)) - \ + num1 / (2 * k12 * sqrt(ak1))); + + clout << "----->>>>> Contact angle: " << angle << " ; "; + clout << "Analytical contact angle: " << angle_an << std::endl; + clout << "----->>>>> Difference to previous: " << angle-angle_prev << std::endl; + angle_prev = angle; + } + } +} + + +int main( int argc, char *argv[] ) { + + // === 1st Step: Initialization === + + olbInit( &argc, &argv ); + singleton::directories().setOutputDir( "./tmp/" ); + OstreamManager clout( std::cout,"main" ); + + UnitConverterFromResolutionAndRelaxationTime converter( + (T) N, // resolution + (T) 1., // lattice relaxation time (tau) + (T) nxy, // charPhysLength: reference length of simulation geometry + (T) 0.0001, // charPhysVelocity: maximal/highest expected velocity during simulation in __m / s__ + (T) 1.002e-8, // physViscosity: physical kinematic viscosity in __m^2 / s__ + (T) 1. // physDensity: physical density in __kg / m^3__ + ); + + // Prints the converter log as console output + converter.print(); + + // === 2nd Step: Prepare Geometry === + std::vector extend = { nxy, nxy, nz }; + std::vector origin = { 0., 0., 0. }; + IndicatorCuboid3D cuboid(extend,origin); +#ifdef PARALLEL_MODE_MPI + CuboidGeometry3D cGeometry( cuboid, converter.getPhysDeltaX(), singleton::mpi().getSize() ); +#else + CuboidGeometry3D cGeometry( cuboid, converter.getPhysDeltaX() ); +#endif + + // Set periodic boundaries to the domain + cGeometry.setPeriodicity( true, true, false ); + + // Instantiation of loadbalancer + HeuristicLoadBalancer loadBalancer( cGeometry ); + loadBalancer.print(); + + // Instantiation of superGeometry + SuperGeometry3D superGeometry( cGeometry,loadBalancer ); + + prepareGeometry( superGeometry, converter ); + + // === 3rd Step: Prepare Lattice === + SuperLattice3D sLattice1( superGeometry ); + SuperLattice3D sLattice2( superGeometry ); + + ForcedBGKdynamics bulkDynamics1 ( + converter.getLatticeRelaxationFrequency(), + instances::getBulkMomenta() ); + + FreeEnergyBGKdynamics bulkDynamics2 ( + converter.getLatticeRelaxationFrequency(), gama, + instances::getBulkMomenta() ); + + sOnLatticeBoundaryCondition3D sOnBC1( sLattice1 ); + sOnLatticeBoundaryCondition3D sOnBC2( sLattice2 ); + createLocalBoundaryCondition3D (sOnBC1); + createLocalBoundaryCondition3D (sOnBC2); + + prepareLattice( sLattice1, sLattice2, bulkDynamics1, bulkDynamics2, + converter, superGeometry, sOnBC1, sOnBC2 ); + + prepareCoupling( sLattice1, sLattice2, superGeometry); + + SuperExternal3D sExternal1 (superGeometry, sLattice1, sLattice1.getOverlap() ); + SuperExternal3D sExternal2 (superGeometry, sLattice2, sLattice2.getOverlap() ); + + // === 4th Step: Main Loop with Timer === + int iT = 0; + clout << "starting simulation..." << endl; + Timer timer( maxIter, superGeometry.getStatistics().getNvoxel() ); + timer.start(); + + for ( iT=0; iT<=maxIter; ++iT ) { + // Computation and output of the results + getResults( sLattice1, sLattice2, iT, superGeometry, timer, converter ); + + // Collide and stream execution + sLattice1.collideAndStream(); + sLattice2.collideAndStream(); + + // MPI communication for lattice data + sLattice1.communicate(); + sLattice2.communicate(); + + // Execute coupling between the two lattices + sLattice1.executeCoupling(); + sExternal1.communicate(); + sExternal2.communicate(); + sLattice2.executeCoupling(); + } + + timer.stop(); + timer.printSummary(); + +} + diff --git a/examples/multiComponent/contactAngle3d/definitions.mk b/examples/multiComponent/contactAngle3d/definitions.mk new file mode 100644 index 0000000..478fb07 --- /dev/null +++ b/examples/multiComponent/contactAngle3d/definitions.mk @@ -0,0 +1,30 @@ +# This file is part of the OpenLB library +# +# Copyright (C) 2007 Mathias Krause +# 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. + + +########################################################################### +########################################################################### +## DEFINITIONS TO BE CHANGED + +ROOT := ../../.. +SRC := contactAngle3d.cpp +OUTPUT := contactAngle3d diff --git a/examples/multiComponent/contactAngle3d/module.mk b/examples/multiComponent/contactAngle3d/module.mk new file mode 100644 index 0000000..1190482 --- /dev/null +++ b/examples/multiComponent/contactAngle3d/module.mk @@ -0,0 +1,29 @@ +# This file is part of the OpenLB library +# +# Copyright (C) 2017 Markus Mohrhard +# 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. + +current_dir := $(dir $(word $(words $(MAKEFILE_LIST)),$(MAKEFILE_LIST))) + +include global.mk +include rules.mk +include $(addsuffix definitions.mk, $(current_dir)) + +$(eval $(call sample,$(current_dir)$(OUTPUT),$(addprefix $(current_dir), $(SRC)))) diff --git a/examples/multiComponent/microFluidics2d/Makefile b/examples/multiComponent/microFluidics2d/Makefile new file mode 100644 index 0000000..a953954 --- /dev/null +++ b/examples/multiComponent/microFluidics2d/Makefile @@ -0,0 +1,105 @@ +# This file is part of the OpenLB library +# +# Copyright (C) 2007 Mathias Krause +# 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. + +########################################################################### +## definitions + +include definitions.mk + +include $(ROOT)/global.mk + +OBJECTS := $(foreach file, $(SRC), $(PWD)/$(file:.cpp=.o)) +DEPS := $(foreach file, $(SRC), $(PWD)/$(file:.cpp=.d)) + +########################################################################### +## all + +all : depend compile link + + +########################################################################### +## dependencies + +depend : $(DEPS) + +$(PWD)/%.d : %.cpp + @echo Create dependencies for $< + @$(SHELL) -ec '$(CXX) -M $(CXXFLAGS) $(IDIR) $< \ + | sed -e "s!$*\.o!$(PWD)\/$*\.o!1" > .tmpfile; \ + cp -f .tmpfile $@;' + +########################################################################### +## compile + +compile : $(OBJECTS) + +$(PWD)/%.o: %.cpp + @echo Compile $< + $(CXX) $(CXXFLAGS) $(IDIR) -c $< -o $@ + +########################################################################### +## clean + +clean : cleanrub cleanobj cleandep + +cleanrub: + @echo Clean rubbish files + @rm -f *~ core .tmpfile tmp/*.* $(OUTPUT) + @rm -f tmp/vtkData/*.* tmp/vtkData/data/*.* tmp/imageData/*.* tmp/gnuplotData/*.* tmp/gnuplotData/data/*.* + +cleanobj: + @echo Clean object files + @rm -f $(OBJECTS) + +cleandep: + @echo Clean dependencies files + @rm -f $(DEPS) + +cleanbuild: + @cd $(ROOT); \ + $(MAKE) cleanlib; + +########################################################################### +## update lib + +$(ROOT)/$(LIBDIR)/lib$(LIB).a : + @cd $(ROOT); \ + $(MAKE) all + +########################################################################### +## link + +link: $(OUTPUT) + +$(OUTPUT): $(OBJECTS) $(ROOT)/$(LIBDIR)/lib$(LIB).a + @echo Link $@ + $(CXX) $(foreach file, $(SRC), $(file:.cpp=.o)) $(LDFLAGS) -L$(ROOT)/$(LIBDIR) -l$(LIB) -lz -o $@ + +########################################################################### +## include dependencies + +ifneq "$(strip $(wildcard *.d))" "" + include $(foreach file,$(DEPS),$(file)) +endif + +########################################################################### +########################################################################### diff --git a/examples/multiComponent/microFluidics2d/definitions.mk b/examples/multiComponent/microFluidics2d/definitions.mk new file mode 100644 index 0000000..43100e0 --- /dev/null +++ b/examples/multiComponent/microFluidics2d/definitions.mk @@ -0,0 +1,30 @@ +# This file is part of the OpenLB library +# +# Copyright (C) 2007 Mathias Krause +# 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. + + +########################################################################### +########################################################################### +## DEFINITIONS TO BE CHANGED + +ROOT := ../../.. +SRC := microFluidics2d.cpp +OUTPUT := microFluidics2d diff --git a/examples/multiComponent/microFluidics2d/microFluidics2d.cpp b/examples/multiComponent/microFluidics2d/microFluidics2d.cpp new file mode 100644 index 0000000..7ebf883 --- /dev/null +++ b/examples/multiComponent/microFluidics2d/microFluidics2d.cpp @@ -0,0 +1,456 @@ +/* Lattice Boltzmann sample, written in C++, using the OpenLB + * library + * + * Copyright (C) 2019 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. + */ + +/* microfluidics2d.cpp: + * This example shows a microfluidic channel creating droplets of + * two fluid components. Poiseuille velocity profiles are imposed + * at the various channel inlets, while a constant density outlet + * is imposed at the end of the channel to allow the droplets to + * exit the simulation. + * + * This example demonstrates the use of three fluid components + * with the free energy model. It also shows the use of open + * boundary conditions, specifically velocity inlet and density + * outlet boundaries. + */ + +#include "olb2D.h" +#include "olb2D.hh" // use only generic version! +#include +#include +#include + +using namespace olb; +using namespace olb::descriptors; +using namespace olb::graphics; +using namespace std; + +typedef double T; +#define DESCRIPTOR D2Q9 + +// Parameters for the simulation setup +const int N = 100; +const T nx = 800.; +const T ny = 100.; +const T dx = ny / N; + +const T inSize = 175.; +const T xl1 = inSize * 2./7.; +const T yl1 = ny / 4.; +const T xl2 = inSize / 7.; +const T yl2 = ny; +const T xl3 = inSize * 3./7.; +const T yl3 = ny / 4.; +const T xl4 = inSize / 7.; +const T yl4 = ny; +const T xl5 = nx - inSize; +const T yl5 = ny / 2.; + +const T inlet1Velocity = 0.00056; // [lattice units] +const T inlet2Velocity = 0.00055; // [lattice units] +const T inlet3Velocity = 0.0014; // [lattice units] +const T outletDensity = 1.; // [lattice units] +const T alpha = 1.; // Interfacial width [lattice units] +const T kappa1 = 0.0132; // For surface tensions [lattice units] +const T kappa2 = 0.0012; // For surface tensions [lattice units] +const T kappa3 = 0.0013; // For surface tensions [lattice units] +const T gama = 1.; // For mobility of interfaces [lattice units] +const T h1 = 0.; // Contact angle 90 degrees [lattice units] +const T h2 = 0.; // Contact angle 90 degrees [lattice units] +const T h3 = 0.; // Contact angle 90 degrees [lattice units] + +const int maxIter = 1000000; +const int vtkIter = 1000; +const int statIter = 2000; + + +void prepareGeometry( SuperGeometry2D& superGeometry ) { + OstreamManager clout( std::cout,"prepareGeometry" ); + clout << "Prepare Geometry ..." << std::endl; + + std::shared_ptr> section1 = std::make_shared>( xl1, yl1, std::vector{xl1/2., ny/2.} ); + std::shared_ptr> section2 = std::make_shared>( xl2, yl2, std::vector{xl1 + xl2/2., ny/2.} ); + std::shared_ptr> section3 = std::make_shared>( xl3, yl3, std::vector{xl1 + xl2 + xl3/2., ny/2.} ); + std::shared_ptr> section4 = std::make_shared>( xl4, yl4, std::vector{xl1 + xl2 + xl3 + xl4/2., ny/2.} ); + std::shared_ptr> section5 = std::make_shared>( xl5, yl5, std::vector{xl1 + xl2 + xl3 + xl4 + xl5/2., ny/2.} ); + IndicatorIdentity2D channel( section1 + section2 + section3 + section4 + section5 ); + + superGeometry.rename( 0, 2, channel ); + superGeometry.rename( 2,1,1,1 ); + + // Inlets and outlet + IndicatorCuboid2D inlet1 ( dx, yl1, {0., ny/2.} ); + IndicatorCuboid2D inlet21( xl2 - dx, dx, {xl1 + xl2/2., 0.} ); + IndicatorCuboid2D inlet22( xl2 - dx, dx, {xl1 + xl2/2., ny} ); + IndicatorCuboid2D inlet31( xl4 - dx, dx, {xl1 + xl2 + xl3 + xl4/2., 0.} ); + IndicatorCuboid2D inlet32( xl4 - dx, dx, {xl1 + xl2 + xl3 + xl4/2., ny} ); + IndicatorCuboid2D outlet( dx, yl5, {nx, ny/2.} ); + superGeometry.rename( 2, 3, 1, inlet1 ); + superGeometry.rename( 2, 4, 1, inlet21 ); + superGeometry.rename( 2, 5, 1, inlet22 ); + superGeometry.rename( 2, 6, 1, inlet31 ); + superGeometry.rename( 2, 7, 1, inlet32 ); + superGeometry.rename( 2, 8, 1, outlet ); + + superGeometry.innerClean(); + superGeometry.checkForErrors(); + superGeometry.print(); + + clout << "Prepare Geometry ... OK" << std::endl; +} + + +void prepareLattice( SuperLattice2D& sLattice1, + SuperLattice2D& sLattice2, + SuperLattice2D& sLattice3, + Dynamics& bulkDynamics1, + Dynamics& bulkDynamics2, + Dynamics& bulkDynamics3, + sOnLatticeBoundaryCondition2D& sOnBC1, + sOnLatticeBoundaryCondition2D& sOnBC2, + sOnLatticeBoundaryCondition2D& sOnBC3, + UnitConverter& converter, + SuperGeometry2D& superGeometry ) { + + OstreamManager clout( std::cout,"prepareLattice" ); + clout << "Prepare Lattice ..." << std::endl; + + // define lattice dynamics + sLattice1.defineDynamics( superGeometry, 0, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 0, &instances::getNoDynamics() ); + sLattice3.defineDynamics( superGeometry, 0, &instances::getNoDynamics() ); + + sLattice1.defineDynamics( superGeometry, 1, &bulkDynamics1 ); + sLattice2.defineDynamics( superGeometry, 1, &bulkDynamics2 ); + sLattice3.defineDynamics( superGeometry, 1, &bulkDynamics3 ); + + sLattice1.defineDynamics( superGeometry, 2, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 2, &instances::getNoDynamics() ); + sLattice3.defineDynamics( superGeometry, 2, &instances::getNoDynamics() ); + + sLattice1.defineDynamics( superGeometry, 3, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 3, &instances::getNoDynamics() ); + sLattice3.defineDynamics( superGeometry, 3, &instances::getNoDynamics() ); + + sLattice1.defineDynamics( superGeometry, 4, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 4, &instances::getNoDynamics() ); + sLattice3.defineDynamics( superGeometry, 4, &instances::getNoDynamics() ); + + sLattice1.defineDynamics( superGeometry, 5, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 5, &instances::getNoDynamics() ); + sLattice3.defineDynamics( superGeometry, 5, &instances::getNoDynamics() ); + + sLattice1.defineDynamics( superGeometry, 6, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 6, &instances::getNoDynamics() ); + sLattice3.defineDynamics( superGeometry, 6, &instances::getNoDynamics() ); + + sLattice1.defineDynamics( superGeometry, 7, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 7, &instances::getNoDynamics() ); + sLattice3.defineDynamics( superGeometry, 7, &instances::getNoDynamics() ); + + sLattice1.defineDynamics( superGeometry, 8, &instances::getNoDynamics() ); + sLattice2.defineDynamics( superGeometry, 8, &instances::getNoDynamics() ); + sLattice3.defineDynamics( superGeometry, 8, &instances::getNoDynamics() ); + + // add wall boundary + sOnBC1.addFreeEnergyWallBoundary( superGeometry, 2, alpha, kappa1, kappa2, kappa3, h1, h2, h3, 1 ); + sOnBC2.addFreeEnergyWallBoundary( superGeometry, 2, alpha, kappa1, kappa2, kappa3, h1, h2, h3, 2 ); + sOnBC3.addFreeEnergyWallBoundary( superGeometry, 2, alpha, kappa1, kappa2, kappa3, h1, h2, h3, 3 ); + + // add inlet boundaries + T omega = converter.getLatticeRelaxationFrequency(); + auto inlet1Indicator = superGeometry.getMaterialIndicator(3); + sOnBC1.addFreeEnergyInletBoundary( inlet1Indicator, omega, "velocity", 1 ); + sOnBC2.addFreeEnergyInletBoundary( inlet1Indicator, omega, "velocity", 2 ); + sOnBC3.addFreeEnergyInletBoundary( inlet1Indicator, omega, "velocity", 3 ); + + auto inlet2Indicator = superGeometry.getMaterialIndicator({4, 5}); + sOnBC1.addFreeEnergyInletBoundary( inlet2Indicator, omega, "velocity", 1 ); + sOnBC2.addFreeEnergyInletBoundary( inlet2Indicator, omega, "velocity", 2 ); + sOnBC3.addFreeEnergyInletBoundary( inlet2Indicator, omega, "velocity", 3 ); + + auto inlet3Indicator = superGeometry.getMaterialIndicator({6, 7}); + sOnBC1.addFreeEnergyInletBoundary( inlet3Indicator, omega, "velocity", 1 ); + sOnBC2.addFreeEnergyInletBoundary( inlet3Indicator, omega, "velocity", 2 ); + sOnBC3.addFreeEnergyInletBoundary( inlet3Indicator, omega, "velocity", 3 ); + + // add outlet boundary + auto outletIndicator = superGeometry.getMaterialIndicator(8); + sOnBC1.addFreeEnergyOutletBoundary( outletIndicator, omega, "density", 1 ); + sOnBC2.addFreeEnergyOutletBoundary( outletIndicator, omega, "density", 2 ); + sOnBC3.addFreeEnergyOutletBoundary( outletIndicator, omega, "density", 3 ); + + // bulk initial conditions + std::vector v( 2,T() ); + AnalyticalConst2D zeroVelocity( v ); + + AnalyticalConst2D zero ( 0. ); + AnalyticalConst2D one ( 1. ); + SmoothIndicatorCuboid2D section1( {xl1/2., ny/2.}, xl1+dx, ny, 0. ); + SmoothIndicatorCuboid2D section2( {xl1 + (xl2 + xl3)/2., ny/2.}, xl2 + xl3, ny, 0. ); + + AnalyticalIdentity2D c1( section1 ); + AnalyticalIdentity2D c2( section2 ); + AnalyticalIdentity2D rho( one ); + AnalyticalIdentity2D phi( c1 - c2 ); + AnalyticalIdentity2D psi( rho - c1 - c2 ); + + auto allIndicator = superGeometry.getMaterialIndicator({1, 2, 3, 4, 5, 6}); + sLattice1.iniEquilibrium( allIndicator, rho, zeroVelocity ); + sLattice2.iniEquilibrium( allIndicator, phi, zeroVelocity ); + sLattice3.iniEquilibrium( allIndicator, psi, zeroVelocity ); + + // inlet boundary conditions + Poiseuille2D inlet1U( superGeometry, 3, 1.5*inlet1Velocity, 0. ); + sLattice1.defineU( inlet1Indicator, inlet1U ); + sLattice2.defineRho( inlet1Indicator, phi ); + sLattice3.defineRho( inlet1Indicator, psi ); + + Poiseuille2D inlet21U( superGeometry, 4, 1.5*inlet2Velocity, 0. ); + Poiseuille2D inlet22U( superGeometry, 5, 1.5*inlet2Velocity, 0. ); + sLattice1.defineU( superGeometry, 4, inlet21U ); + sLattice1.defineU( superGeometry, 5, inlet22U ); + sLattice2.defineRho( inlet2Indicator, phi ); + sLattice3.defineRho( inlet2Indicator, psi ); + + Poiseuille2D inlet31U( superGeometry, 6, 1.5*inlet3Velocity, 0. ); + Poiseuille2D inlet32U( superGeometry, 7, 1.5*inlet3Velocity, 0. ); + sLattice1.defineU( superGeometry, 6, inlet31U ); + sLattice1.defineU( superGeometry, 7, inlet32U ); + sLattice2.defineRho( inlet3Indicator, phi ); + sLattice3.defineRho( inlet3Indicator, psi ); + + // outlet initial / boundary conditions + AnalyticalConst2D rhoOutlet( outletDensity ); + AnalyticalIdentity2D phiOutlet( zero ); + AnalyticalIdentity2D psiOutlet( rhoOutlet ); + sLattice1.defineRho( outletIndicator, rhoOutlet ); + sLattice2.defineRho( outletIndicator, phiOutlet ); + sLattice3.defineRho( outletIndicator, psiOutlet ); + + // initialise lattices + sLattice1.initialize(); + sLattice2.initialize(); + sLattice3.initialize(); + + sLattice1.communicate(); + sLattice2.communicate(); + sLattice3.communicate(); + + clout << "Prepare Lattice ... OK" << std::endl; +} + + +void prepareCoupling(SuperLattice2D& sLattice1, + SuperLattice2D& sLattice2, + SuperLattice2D& sLattice3, + SuperGeometry2D& superGeometry) { + OstreamManager clout( std::cout,"prepareCoupling" ); + clout << "Add lattice coupling" << endl; + + // Bulk couplings + FreeEnergyChemicalPotentialGenerator2D coupling2( alpha, kappa1, kappa2, kappa3 ); + FreeEnergyForceGenerator2D coupling3; + + // Inlet / outlet couplings + FreeEnergyDensityOutletGenerator2D coupling1( outletDensity ); + FreeEnergyInletOutletGenerator2D coupling4; + + // The DensityOutlet coupling must be added to the first lattice and come before the ChemicalPotential coupling + // The InletOutlet couplings must be added to the second lattice and come after the Force coupling. + sLattice1.addLatticeCoupling( superGeometry, 8, coupling1, {&sLattice2, &sLattice3} ); + + sLattice1.addLatti