DSMCCloud.H

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License
    This file is part of OpenFOAM.
 
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    under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.
 
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    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 OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
 
Class
    Foam::DSMCCloud
 
Description
    Templated base class for dsmc cloud
 
SourceFiles
    DSMCCloudI.H
    DSMCCloud.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef DSMCCloud_H
#define DSMCCloud_H
 
#include "Cloud.H"
#include "DSMCBaseCloud.H"
#include "IOdictionary.H"
#include "autoPtr.H"
#include "Random.H"
#include "fvMesh.H"
#include "volFields.H"
#include "scalarIOField.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
// Forward declaration of classes
 
template<class CloudType>
class BinaryCollisionModel;
 
template<class CloudType>
class WallInteractionModel;
 
template<class CloudType>
class InflowBoundaryModel;
 
/*---------------------------------------------------------------------------*\
                         Class DSMCCloud Declaration
\*---------------------------------------------------------------------------*/
 
template<class ParcelType>
class DSMCCloud
:
    public Cloud<ParcelType>,
    public DSMCBaseCloud
{
    // Private data
 
        //- Cloud type - used to set the name of the parcel properties
        //  dictionary by appending "Properties"
        const word cloudName_;
 
        //- References to the mesh and time databases
        const fvMesh& mesh_;
 
        //- Dictionary of particle properties
        IOdictionary particleProperties_;
 
        //- A list of unique instances of molecule types in the
        //  simulation.  The position of an entry in the list maps to
        //  the label identifying the typeId, i.e. where typeIdList_ =
        //  (N2 O2 CO2) N2 has typeId label = 0, O2 = 1, CO2 = 2.
        List<word> typeIdList_;
 
        //- Number of real atoms/molecules represented by a parcel
        scalar nParticle_;
 
        //- A data structure holding which particles are in which cell
        List<DynamicList<ParcelType*> > cellOccupancy_;
 
        //- A field holding the value of (sigmaT * cR)max for each
        //  cell (see Bird p220). Initialised with the parcels,
        //  updated as required, and read in on start/restart.
        volScalarField sigmaTcRMax_;
 
        //- A field holding the remainder from the previous collision selections
        DimensionedField<scalar, volMesh> collisionSelectionRemainder_;
 
        //- Heat flux at surface field
        volScalarField q_;
 
        //- Force density at surface field
        volVectorField fD_;
 
        //- Number density field
        volScalarField rhoN_;
 
        //- Mass density field
        volScalarField rhoM_;
 
        //- Dsmc particle density field
        volScalarField dsmcRhoN_;
 
        //- Linear kinetic energy density field
        volScalarField linearKE_;
 
        //- Internal energy density field
        volScalarField internalE_;
 
        // Internal degree of freedom density field
        volScalarField iDof_;
 
        //- Momentum density field
        volVectorField momentum_;
 
        //- Parcel constant properties - one for each type
        List<typename ParcelType::constantProperties> constProps_;
 
        //- Random number generator
        Random rndGen_;
 
 
        // boundary value fields
 
            //- Boundary temperature
            volScalarField boundaryT_;
 
            //- Boundary velocity
            volVectorField boundaryU_;
 
 
        // References to the cloud sub-models
 
            //- Binary collision model
            autoPtr<BinaryCollisionModel<DSMCCloud<ParcelType> > >
                binaryCollisionModel_;
 
            //- Wall interaction model
            autoPtr<WallInteractionModel<DSMCCloud<ParcelType> > >
                wallInteractionModel_;
 
            //- Inflow boundary model
            autoPtr<InflowBoundaryModel<DSMCCloud<ParcelType> > >
                inflowBoundaryModel_;
 
 
    // Private Member Functions
 
        //- Build the constant properties for all of the species
        void buildConstProps();
 
        //- Record which particles are in which cell
        void buildCellOccupancy();
 
        //- Initialise the system
        void initialise(const IOdictionary& dsmcInitialiseDict);
 
        //- Calculate collisions between molecules
        void collisions();
 
        //- Reset the data accumulation field values to zero
        void resetFields();
 
        //- Calculate the volume field data
        void calculateFields();
 
        //- Disallow default bitwise copy construct
        DSMCCloud(const DSMCCloud&);
 
        //- Disallow default bitwise assignment
        void operator=(const DSMCCloud&);
 
 
public:
 
    // Constructors
 
        //- Construct given name and mesh, will read Parcels and fields from
        //  file
        DSMCCloud
        (
            const word& cloudName,
            const fvMesh& mesh,
            bool readFields = true
        );
 
        //- Construct given name, mesh and initialisation dictionary.
        DSMCCloud
        (
            const word& cloudName,
            const fvMesh& mesh,
            const IOdictionary& dsmcInitialiseDict
        );
 
 
    //- Destructor
    virtual ~DSMCCloud();
 
 
    //- Type of parcel the cloud was instantiated for
    typedef ParcelType parcelType;
 
 
    // Member Functions
 
        // Access
 
            // References to the mesh and databases
 
                //- Return the cloud type
                inline const word& cloudName() const;
 
                //- Return refernce to the mesh
                inline const fvMesh& mesh() const;
 
 
            // References to the dsmc specific data
 
                //- Return particle properties dictionary
                inline const IOdictionary& particleProperties() const;
 
                //- Return the idList
                inline const List<word>& typeIdList() const;
 
                //- Return the number of real particles represented by one
                //  parcel
                inline scalar nParticle() const;
 
                //- Return the cell occupancy addressing
                inline const List<DynamicList<ParcelType*> >&
                    cellOccupancy() const;
 
                //- Return the sigmaTcRMax field.  non-const access to allow
                // updating.
                inline volScalarField& sigmaTcRMax();
 
                //- Return the collision selection remainder field.  non-const
                // access to allow updating.
                inline scalarField& collisionSelectionRemainder();
 
                //- Return all of the constant properties
                inline const List<typename ParcelType::constantProperties>&
                    constProps() const;
 
                //- Return the constant properties of the given typeId
                inline const typename ParcelType::constantProperties&
                    constProps(label typeId) const;
 
                //- Return refernce to the random object
                inline Random& rndGen();
 
 
            // References to the boundary fields for surface data collection
 
                //- Return non-const heat flux boundary field reference
                inline volScalarField::GeometricBoundaryField& qBF();
 
                //- Return non-const force density at boundary field reference
                inline volVectorField::GeometricBoundaryField& fDBF();
 
                //- Return non-const number density boundary field reference
                inline volScalarField::GeometricBoundaryField& rhoNBF();
 
                //- Return non-const mass density boundary field reference
                inline volScalarField::GeometricBoundaryField& rhoMBF();
 
                //- Return non-const linear kinetic energy density boundary
                //  field reference
                inline volScalarField::GeometricBoundaryField& linearKEBF();
 
                //- Return non-const internal energy density boundary field
                // reference
                inline volScalarField::GeometricBoundaryField& internalEBF();
 
                //- Return non-const internal degree of freedom density boundary
                //  field reference
                inline volScalarField::GeometricBoundaryField& iDofBF();
 
                //- Return non-const momentum density boundary field reference
                inline volVectorField::GeometricBoundaryField& momentumBF();
 
 
            // References to the macroscopic fields
 
                //- Return macroscopic temperature
                inline const volScalarField& boundaryT() const;
 
                //- Return macroscopic velocity
                inline const volVectorField& boundaryU() const;
 
                //- Return heat flux at surface field
                inline const volScalarField& q() const;
 
                //- Return force density at surface field
                inline const volVectorField& fD() const;
 
                //- Return the real particle number density field
                inline const volScalarField& rhoN() const;
 
                //- Return the particle mass density field
                inline const volScalarField& rhoM() const;
 
                //- Return the field of number of DSMC particles
                inline const volScalarField& dsmcRhoN() const;
 
                //- Return the total linear kinetic energy (translational and
                // thermal density field
                inline const volScalarField& linearKE() const;
 
                //- Return the internal energy density field
                inline const volScalarField& internalE() const;
 
                //- Return the average internal degrees of freedom  field
                inline const volScalarField& iDof() const;
 
                //- Return the momentum density field
                inline const volVectorField& momentum() const;
 
 
            // Kinetic theory helper functions
 
                //- Generate a random velocity sampled from the Maxwellian speed
                // distribution
                vector equipartitionLinearVelocity
                (
                    scalar temperature,
                    scalar mass
                );
 
                //- Generate a random internal energy, sampled from the
                // equilibrium distribution (Bird eqn 11.22 and 11.23 and
                // adapting code from DSMC3.FOR)
                scalar equipartitionInternalEnergy
                (
                    scalar temperature,
                    direction internalDegreesOfFreedom
                );
 
 
                // From the Maxwellian distribution:
                //- Average particle speed
                inline scalar maxwellianAverageSpeed
                (
                    scalar temperature,
                    scalar mass
                ) const;
 
                inline scalarField maxwellianAverageSpeed
                (
                    scalarField temperature,
                    scalar mass
                ) const;
 
                //- RMS particle speed
                inline scalar maxwellianRMSSpeed
                (
                    scalar temperature,
                    scalar mass
                ) const;
 
                inline scalarField maxwellianRMSSpeed
                (
                    scalarField temperature,
                    scalar mass
                ) const;
 
                //- Most probable speed
                inline scalar maxwellianMostProbableSpeed
                (
                    scalar temperature,
                    scalar mass
                ) const;
 
                inline scalarField maxwellianMostProbableSpeed
                (
                    scalarField temperature,
                    scalar mass
                ) const;
 
 
            // Sub-models
 
                //- Return reference to binary elastic collision model
                inline const BinaryCollisionModel<DSMCCloud<ParcelType> >&
                    binaryCollision() const;
 
                //- Return non-const reference to binary elastic collision model
                inline BinaryCollisionModel<DSMCCloud<ParcelType> >&
                    binaryCollision();
 
                //- Return reference to wall interaction model
                inline const WallInteractionModel<DSMCCloud<ParcelType> >&
                    wallInteraction() const;
 
                //- Return non-const reference to wall interaction model
                inline WallInteractionModel<DSMCCloud<ParcelType> >&
                    wallInteraction();
 
                //- Return reference to wall interaction model
                inline const InflowBoundaryModel<DSMCCloud<ParcelType> >&
                    inflowBoundary() const;
 
                //- Return non-const reference to wall interaction model
                inline InflowBoundaryModel<DSMCCloud<ParcelType> >&
                    inflowBoundary();
 
 
        // Check
 
            //- Total mass in system
            inline scalar massInSystem() const;
 
            //- Total linear momentum of the system
            inline vector linearMomentumOfSystem() const;
 
            //- Total linear kinetic energy in the system
            inline scalar linearKineticEnergyOfSystem() const;
 
            //- Total internal energy in the system
            inline scalar internalEnergyOfSystem() const;
 
            //- Print cloud information
            void info() const;
 
            //- Dump particle positions to .obj file
            void dumpParticlePositions() const;
 
 
 
 
        // Cloud evolution functions
 
            //- Add new parcel
            void addNewParcel
            (
                const vector& position,
                const vector& U,
                const scalar Ei,
                const label cellI,
                const label tetFaceI,
                const label tetPtI,
                const label typeId
            );
 
            //- Evolve the cloud (move, collide)
            void evolve();
 
            //- Clear the Cloud
            inline void clear();
 
 
        // Mapping
 
            //- Remap the particles to the correct cells following mesh change
            virtual void autoMap(const mapPolyMesh&);
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "DSMCCloudI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#ifdef NoRepository
#   include "DSMCCloud.C"
#endif
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //