/* 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();
}