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-rw-r--r--examples/multiComponent/youngLaplace3d/Makefile105
-rw-r--r--examples/multiComponent/youngLaplace3d/definitions.mk30
-rw-r--r--examples/multiComponent/youngLaplace3d/module.mk29
-rw-r--r--examples/multiComponent/youngLaplace3d/youngLaplace3d.cpp316
4 files changed, 480 insertions, 0 deletions
diff --git a/examples/multiComponent/youngLaplace3d/Makefile b/examples/multiComponent/youngLaplace3d/Makefile
new file mode 100644
index 0000000..a953954
--- /dev/null
+++ b/examples/multiComponent/youngLaplace3d/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
+# <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.
+
+###########################################################################
+## 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/youngLaplace3d/definitions.mk b/examples/multiComponent/youngLaplace3d/definitions.mk
new file mode 100644
index 0000000..99a5a30
--- /dev/null
+++ b/examples/multiComponent/youngLaplace3d/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
+# <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.
+
+
+###########################################################################
+###########################################################################
+## DEFINITIONS TO BE CHANGED
+
+ROOT := ../../..
+SRC := youngLaplace3d.cpp
+OUTPUT := youngLaplace3d
diff --git a/examples/multiComponent/youngLaplace3d/module.mk b/examples/multiComponent/youngLaplace3d/module.mk
new file mode 100644
index 0000000..1190482
--- /dev/null
+++ b/examples/multiComponent/youngLaplace3d/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
+# <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.
+
+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/youngLaplace3d/youngLaplace3d.cpp b/examples/multiComponent/youngLaplace3d/youngLaplace3d.cpp
new file mode 100644
index 0000000..c18cf5a
--- /dev/null
+++ b/examples/multiComponent/youngLaplace3d/youngLaplace3d.cpp
@@ -0,0 +1,316 @@
+/* Lattice Boltzmann sample, written in C++, using the OpenLB
+ * library
+ *
+ * Copyright (C) 2018 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.
+ */
+
+/* youngLaplace3d.cpp
+ * In this example a Young-Laplace test is performed. A spherical domain
+ * of fluid 2 is immersed in fluid 1. A diffusive interface forms and the
+ * surface tension can be calculated using the Laplace pressure relation.
+ * The pressure difference is calculated between a point in the middle of
+ * the circular domain and a point furthest away from it in the
+ * computational domain (here left bottom corner).
+ *
+ * This example shows the simplest case for the free-energy model with two
+ * fluid components.
+ */
+
+#include "olb3D.h"
+#include "olb3D.hh" // use only generic version!
+#include <cstdlib>
+#include <iostream>
+#include <fstream>
+
+using namespace olb;
+using namespace olb::descriptors;
+using namespace olb::graphics;
+using namespace std;
+
+typedef double T;
+#define DESCRIPTOR D3Q19<CHEM_POTENTIAL,FORCE>
+
+// Parameters for the simulation setup
+const int N = 100;
+const T nx = 100.;
+const T radius = 0.25 * nx;
+const T alpha = 1.5; // Interfacial width [lattice units]
+const T kappa1 = 0.0075; // For surface tensions [lattice units]
+const T kappa2 = 0.005; // For surface tensions [lattice units]
+const T gama = 1.; // For mobility of interface [lattice units]
+
+const int maxIter = 60000;
+const int vtkIter = 200;
+const int statIter = 200;
+
+
+void prepareGeometry( SuperGeometry3D<T>& superGeometry ) {
+
+ OstreamManager clout( std::cout,"prepareGeometry" );
+ clout << "Prepare Geometry ..." << std::endl;
+
+ superGeometry.rename( 0,1 );
+
+ superGeometry.innerClean();
+ superGeometry.checkForErrors();
+ superGeometry.print();
+
+ clout << "Prepare Geometry ... OK" << std::endl;
+}
+
+
+void prepareLattice( SuperLattice3D<T, DESCRIPTOR>& sLattice1,
+ SuperLattice3D<T, DESCRIPTOR>& sLattice2,
+ Dynamics<T, DESCRIPTOR>& bulkDynamics1,
+ Dynamics<T, DESCRIPTOR>& bulkDynamics2,
+ UnitConverter<T, DESCRIPTOR>& converter,
+ SuperGeometry3D<T>& superGeometry ) {
+
+ OstreamManager clout( std::cout,"prepareLattice" );
+ clout << "Prepare Lattice ..." << std::endl;
+
+ // define lattice Dynamics
+ sLattice1.defineDynamics( superGeometry, 0, &instances::getNoDynamics<T, DESCRIPTOR>() );
+ sLattice2.defineDynamics( superGeometry, 0, &instances::getNoDynamics<T, DESCRIPTOR>() );
+
+ sLattice1.defineDynamics( superGeometry, 1, &bulkDynamics1 );
+ sLattice2.defineDynamics( superGeometry, 1, &bulkDynamics2 );
+
+ // bulk initial conditions
+ // define spherical domain for fluid 2
+ std::vector<T> v( 3,T() );
+ AnalyticalConst3D<T,T> zeroVelocity( v );
+
+ AnalyticalConst3D<T,T> one ( 1. );
+ SmoothIndicatorSphere3D<T,T> sphere( {nx/2., nx/2., nx/2.}, radius, 10.*alpha );
+
+ AnalyticalIdentity3D<T,T> rho( one );
+ AnalyticalIdentity3D<T,T> phi( one - sphere - sphere );
+
+ sLattice1.iniEquilibrium( superGeometry, 1, rho, zeroVelocity );
+ sLattice2.iniEquilibrium( superGeometry, 1, phi, zeroVelocity );
+
+ sLattice1.initialize();
+ sLattice2.initialize();
+
+ clout << "Prepare Lattice ... OK" << std::endl;
+}
+
+
+void prepareCoupling(SuperLattice3D<T, DESCRIPTOR>& sLattice1,
+ SuperLattice3D<T, DESCRIPTOR>& sLattice2) {
+
+ OstreamManager clout( std::cout,"prepareCoupling" );
+ clout << "Add lattice coupling" << endl;
+
+ // Add the lattice couplings
+ // The chemical potential coupling must come before the force coupling
+ FreeEnergyChemicalPotentialGenerator3D<T, DESCRIPTOR> coupling1(
+ alpha, kappa1, kappa2);
+ FreeEnergyForceGenerator3D<T, DESCRIPTOR> coupling2;
+
+ sLattice1.addLatticeCoupling( coupling1, sLattice2 );
+ sLattice2.addLatticeCoupling( coupling2, sLattice1 );
+
+ clout << "Add lattice coupling ... OK!" << endl;
+}
+
+
+void getResults( SuperLattice3D<T, DESCRIPTOR>& sLattice2,
+ SuperLattice3D<T, DESCRIPTOR>& sLattice1, int iT,
+ SuperGeometry3D<T>& superGeometry, Timer<T>& timer,
+ UnitConverter<T, DESCRIPTOR> converter) {
+
+ OstreamManager clout( std::cout,"getResults" );
+ SuperVTMwriter3D<T> vtmWriter( "youngLaplace3d" );
+
+ if ( iT==0 ) {
+ // Writes the geometry, cuboid no. and rank no. as vti file for visualization
+ SuperLatticeGeometry3D<T, DESCRIPTOR> geometry( sLattice1, superGeometry );
+ SuperLatticeCuboid3D<T, DESCRIPTOR> cuboid( sLattice1 );
+ SuperLatticeRank3D<T, DESCRIPTOR> 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<T,T> half_( 0.5 );
+ SuperLatticeFfromAnalyticalF3D<T, DESCRIPTOR> half(half_, sLattice1);
+
+ SuperLatticeDensity3D<T, DESCRIPTOR> density1( sLattice1 );
+ density1.getName() = "rho";
+ SuperLatticeDensity3D<T, DESCRIPTOR> density2( sLattice2 );
+ density2.getName() = "phi";
+
+ SuperIdentity3D<T,T> c1 (half*(density1+density2));
+ c1.getName() = "density-fluid-1";
+ SuperIdentity3D<T,T> c2 (half*(density1-density2));
+ c2.getName() = "density-fluid-2";
+
+ vtmWriter.addFunctor( density1 );
+ vtmWriter.addFunctor( density2 );
+ vtmWriter.addFunctor( c1 );
+ vtmWriter.addFunctor( c2 );
+ vtmWriter.write( iT );
+
+ // calculate bulk pressure, pressure difference and surface tension
+ if(iT%statIter==0) {
+ AnalyticalConst3D<T,T> two_( 2. );
+ AnalyticalConst3D<T,T> onefive_( 1.5 );
+ AnalyticalConst3D<T,T> k1_( kappa1 );
+ AnalyticalConst3D<T,T> k2_( kappa2 );
+ AnalyticalConst3D<T,T> cs2_( 1./descriptors::invCs2<T,DESCRIPTOR>() );
+ SuperLatticeFfromAnalyticalF3D<T, DESCRIPTOR> two(two_, sLattice1);
+ SuperLatticeFfromAnalyticalF3D<T, DESCRIPTOR> onefive(onefive_, sLattice1);
+ SuperLatticeFfromAnalyticalF3D<T, DESCRIPTOR> k1(k1_, sLattice1);
+ SuperLatticeFfromAnalyticalF3D<T, DESCRIPTOR> k2(k2_, sLattice1);
+ SuperLatticeFfromAnalyticalF3D<T, DESCRIPTOR> cs2(cs2_, sLattice1);
+
+ // Calculation of bulk pressure:
+ // c_1 = density of fluid 1; c_2 = density of fluid 2
+ // p_bulk = rho*c_s^2 + kappa1 * (3/2*c_1^4 - 2*c_1^3 + 0.5*c_1^2)
+ // + kappa2 * (3/2*c_2^4 - 2*c_2^3 + 0.5*c_2^2)
+ SuperIdentity3D<T,T> bulkPressure ( density1*cs2
+ + k1*( onefive*c1*c1*c1*c1 - two*c1*c1*c1 + half*c1*c1 )
+ + k2*( onefive*c2*c2*c2*c2 - two*c2*c2*c2 + half*c2*c2 ) );
+
+ AnalyticalFfromSuperF3D<T, T> interpolPressure( bulkPressure, true, 1);
+ double position[3] = { 0.5*nx, 0.5*nx, 0.5*nx };
+ double pressureIn = 0.;
+ double pressureOut = 0.;
+ interpolPressure(&pressureIn, position);
+ position[0] = ((double)N/100.)*converter.getPhysDeltaX();
+ position[1] = ((double)N/100.)*converter.getPhysDeltaX();
+ position[2] = ((double)N/100.)*converter.getPhysDeltaX();
+ interpolPressure(&pressureOut, position);
+
+ clout << "Pressure Difference: " << pressureIn-pressureOut << " ; ";
+ clout << "Surface Tension: " << radius*(pressureIn-pressureOut)/2 << std::endl;
+ clout << "Analytical Pressure Difference: " << alpha/(3.*radius) * (kappa1 + kappa2) << " ; ";
+ clout << "Analytical Surface Tension: " << alpha/6. * (kappa1 + kappa2) << std::endl;
+ }
+ }
+}
+
+
+int main( int argc, char *argv[] ) {
+
+ // === 1st Step: Initialization ===
+
+ olbInit( &argc, &argv );
+ singleton::directories().setOutputDir( "./tmp/" );
+ OstreamManager clout( std::cout,"main" );
+
+ UnitConverterFromResolutionAndRelaxationTime<T,DESCRIPTOR> converter(
+ (T) N, // resolution
+ (T) 1., // lattice relaxation time (tau)
+ (T) nx, // charPhysLength: reference length of simulation geometry
+ (T) 1.e-6, // charPhysVelocity: maximal/highest expected velocity during simulation in __m / s__
+ (T) 0.1, // 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<T> extend = { nx, nx, nx };
+ std::vector<T> origin = { 0, 0, 0 };
+ IndicatorCuboid3D<T> cuboid(extend,origin);
+#ifdef PARALLEL_MODE_MPI
+ CuboidGeometry3D<T> cGeometry( cuboid, converter.getPhysDeltaX(), singleton::mpi().getSize() );
+#else
+ CuboidGeometry3D<T> cGeometry( cuboid, converter.getPhysDeltaX() );
+#endif
+
+ // set periodic boundaries to the domain
+ cGeometry.setPeriodicity( true, true, true );
+
+ // Instantiation of loadbalancer
+ HeuristicLoadBalancer<T> loadBalancer( cGeometry );
+ loadBalancer.print();
+
+ // Instantiation of superGeometry
+ SuperGeometry3D<T> superGeometry( cGeometry,loadBalancer );
+
+ prepareGeometry( superGeometry );
+
+ // === 3rd Step: Prepare Lattice ===
+ SuperLattice3D<T, DESCRIPTOR> sLattice1( superGeometry );
+ SuperLattice3D<T, DESCRIPTOR> sLattice2( superGeometry );
+
+ ForcedBGKdynamics<T, DESCRIPTOR> bulkDynamics1 (
+ converter.getLatticeRelaxationFrequency(),
+ instances::getBulkMomenta<T,DESCRIPTOR>() );
+
+ FreeEnergyBGKdynamics<T, DESCRIPTOR> bulkDynamics2 (
+ converter.getLatticeRelaxationFrequency(), gama,
+ instances::getBulkMomenta<T,DESCRIPTOR>() );
+
+ prepareLattice( sLattice1, sLattice2, bulkDynamics1, bulkDynamics2,
+ converter, superGeometry );
+
+ prepareCoupling( sLattice1, sLattice2);
+
+ SuperExternal3D<T,DESCRIPTOR,CHEM_POTENTIAL> sExternal1 (superGeometry, sLattice1, sLattice1.getOverlap() );
+ SuperExternal3D<T,DESCRIPTOR,CHEM_POTENTIAL> sExternal2 (superGeometry, sLattice2, sLattice2.getOverlap() );
+
+ // === 4th Step: Main Loop with Timer ===
+ int iT = 0;
+ clout << "starting simulation..." << endl;
+ Timer<T> timer( maxIter, superGeometry.getStatistics().getNvoxel() );
+ timer.start();
+
+ for ( iT=0; iT<=maxIter; ++iT ) {
+ // Computation and output of the results
+ getResults( sLattice2, sLattice1, 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();
+
+}