DSMCCloud.H

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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 "IOdictionary.H"
#include "autoPtr.H"
#include "Random.H"
#include "fvMesh.H"
#include "volFields.H"
#include "scalarIOField.H"
#include "barycentric.H"

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

namespace Foam
{

// Forward declaration of classes

template<class CloudType>
class BinaryCollisionModel;

template<class CloudType>
class WallInteractionModel;

template<class CloudType>
class InflowBoundaryModel;

/*---------------------------------------------------------------------------*\
                        Class DSMCCloudName Declaration
\*---------------------------------------------------------------------------*/

TemplateName(DSMCCloud);


/*---------------------------------------------------------------------------*\
                          Class DSMCCloud Declaration
\*---------------------------------------------------------------------------*/

template<class ParcelType>
class DSMCCloud
:
    public Cloud<ParcelType>,
    public DSMCCloudName
{
    // 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
        volScalarField::Internal 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();


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
        );

        //- Disallow default bitwise copy construction
        DSMCCloud(const DSMCCloud&) = delete;


    //- 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 references 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 references 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::Boundary& qBF();

                //- Return non-const force density at boundary field reference
                inline volVectorField::Boundary& fDBF();

                //- Return non-const number density boundary field reference
                inline volScalarField::Boundary& rhoNBF();

                //- Return non-const mass density boundary field reference
                inline volScalarField::Boundary& rhoMBF();

                //- Return non-const linear kinetic energy density boundary
                //  field reference
                inline volScalarField::Boundary& linearKEBF();

                //- Return non-const internal energy density boundary field
                // reference
                inline volScalarField::Boundary& internalEBF();

                //- Return non-const internal degree of freedom density boundary
                //  field reference
                inline volScalarField::Boundary& iDofBF();

                //- Return non-const momentum density boundary field reference
                inline volVectorField::Boundary& 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 label celli,
                const vector& U,
                const scalar Ei,
                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 polyTopoChangeMap&);


    // Member Operators

        //- Disallow default bitwise assignment
        void operator=(const DSMCCloud&) = delete;
};


// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

} // End namespace Foam

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

#include "DSMCCloudI.H"

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

#ifdef NoRepository
    #include "DSMCCloud.C"
#endif

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

#endif

// ************************************************************************* //