Finished DSMC code initial layout and test solver - both compile. Using...

Finished DSMC code initial layout and test solver - both compile.  Using lagrangian/dsmc local version of WallInteractionModel until requirements stabilise. Removed use of InjectionModel - not suitable, designed for continuum cases, requires single constProps from trackData - multispecies DSMC requires a List of constantProperties, one for each species.

applications/solvers/dsmc/dsmcFoam/Make/options

 EXE_INC = \
     -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(LIB_SRC)/lagrangian/basic/lnInclude \
+    -I$(LIB_SRC)/lagrangian/dsmc/lnInclude \
     -I$(LIB_SRC)/meshTools/lnInclude
 
 EXE_LIBS = \
     -lmeshTools \
     -lfiniteVolume \
-    -llagrangian
+    -llagrangian \
+    -ldsmc
 

applications/solvers/dsmc/dsmcFoam/createFields.H

 
     Info<< "Constructing dsmcCloud " << endl;
 
-    dsmcCloud dsmc(mesh);
+    dsmcCloud dsmc("dsmc", mesh);

src/lagrangian/dsmc/clouds/Templates/DsmcCloud/DsmcCloud.C

@@ -25,10 +25,39 @@ License
 \*---------------------------------------------------------------------------*/
 
 #include "DsmcCloud.H"
-#include "CollisionModel.H"
-#include "InjectionModel.H"
+#include "BinaryElasticCollisionModel.H"
 #include "WallInteractionModel.H"
-#include "IntegrationScheme.H"
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+template<class ParcelType>
+void Foam::DsmcCloud<ParcelType>::buildConstProps()
+{
+    Info<< "Building Constant Properties - PLACEHOLDER." << endl;
+}
+
+
+template<class ParcelType>
+void Foam::DsmcCloud<ParcelType>::buildCellOccupancy()
+{
+    forAll(cellOccupancy_, cO)
+    {
+        cellOccupancy_[cO].clear();
+    }
+
+    forAllIter(typename DsmcCloud<ParcelType>, *this, iter)
+    {
+        cellOccupancy_[iter().cell()].append(&iter());
+    }
+}
+
+
+template<class ParcelType>
+void Foam::DsmcCloud<ParcelType>::collisions()
+{
+    Info<< "DsmcCloud collisions() - PLACEHOLDER" << endl;
+}
+
 
 // * * * * * * * * * * * Protected Member Functions  * * * * * * * * * * * * //
 
@@ -38,7 +67,7 @@ void Foam::DsmcCloud<ParcelType>::addNewParcel
     const vector& position,
     const vector& U,
     const label cellId,
-    const label speciesId
+    const label typeId
 )
 {
     ParcelType* pPtr = new ParcelType
@@ -47,8 +76,7 @@ void Foam::DsmcCloud<ParcelType>::addNewParcel
         position,
         U,
         cellId,
-        speciesId,
-        constProps_(speciesId)
+        typeId
     );
 
     addParticle(pPtr);
@@ -73,26 +101,18 @@ Foam::DsmcCloud<ParcelType>::DsmcCloud
         IOobject
         (
             cloudType + "Properties",
-            rho.mesh().time().constant(),
-            rho.mesh(),
+            mesh.time().constant(),
+            mesh,
             IOobject::MUST_READ,
             IOobject::NO_WRITE
         )
     ),
-    constProps_(particleProperties_),
+    nParticle_(readScalar(particleProperties_.lookup("nEquivalentParticles"))),
+    constProps_(),
     rndGen_(label(971501)),
-    interpolationSchemes_(particleProperties_.subDict("interpolationSchemes")),
-    collisionModel_
-    (
-        CollisionModel<DsmcCloud<ParcelType> >::New
-        (
-            particleProperties_,
-            *this
-        )
-    ),
-    injectionModel_
+    binaryElasticCollisionModel_
     (
-        InjectionModel<DsmcCloud<ParcelType> >::New
+        BinaryElasticCollisionModel<DsmcCloud<ParcelType> >::New
         (
             particleProperties_,
             *this
@@ -105,16 +125,12 @@ Foam::DsmcCloud<ParcelType>::DsmcCloud
             particleProperties_,
             *this
         )
-    ),
-    UIntegrator_
-    (
-        vectorIntegrationScheme::New
-        (
-            "U",
-            particleProperties_.subDict("integrationSchemes")
-        )
     )
-{}
+{
+    buildConstProps();
+
+    buildCellOccupancy();
+}
 
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
@@ -129,22 +145,20 @@ Foam::DsmcCloud<ParcelType>::~DsmcCloud()
 template<class ParcelType>
 void Foam::DsmcCloud<ParcelType>::evolve()
 {
-    typename ParcelType::trackData td
-    (
-        *this,
-        constProps_
-    );
+    typename ParcelType::trackData td(*this);
 
-    this->injection().inject(td);
+    //this->injection().inject(td);
 
     if (debug)
     {
         this->dumpParticlePositions();
     }
 
+    // Move the particles ballistically with their current velocities
     Cloud<ParcelType>::move(td);
 
-    this->collision().collide();
+    // Calculate new velocities via stochastic collisions
+    collisions();
 }
 
 

src/lagrangian/dsmc/clouds/Templates/DsmcCloud/DsmcCloud.H

@@ -45,8 +45,6 @@ SourceFiles
 #include "fvMesh.H"
 #include "volFields.H"
 
-#include "IntegrationSchemesFwd.H"
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
@@ -55,10 +53,7 @@ namespace Foam
 // Forward declaration of classes
 
 template<class CloudType>
-class CollisionModel;
-
-template<class CloudType>
-class InjectionModel;
+class BinaryElasticCollisionModel;
 
 template<class CloudType>
 class WallInteractionModel;
@@ -88,44 +83,39 @@ private:
         //- Dictionary of particle properties
         IOdictionary particleProperties_;
 
+        //- 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_;
 
-        //- Parcel constant properties - one for each species
+        //- Parcel constant properties - one for each type
         List<typename ParcelType::constantProperties> constProps_;
 
         //- Random number generator
         Random rndGen_;
 
-        //- Interpolation schemes dictionary
-        dictionary interpolationSchemes_;
-
-
         // References to the cloud sub-models
 
-            //- Injector model
-            autoPtr<CollisionModel<DsmcCloud<ParcelType> > >
-                collisionModel_;
-
-            //- Injector model
-            autoPtr<InjectionModel<DsmcCloud<ParcelType> > >
-                injectionModel_;
+            //- Binary Elastic Collision model
+            autoPtr<BinaryElasticCollisionModel<DsmcCloud<ParcelType> > >
+                binaryElasticCollisionModel_;
 
             //- Wall interaction model
             autoPtr<WallInteractionModel<DsmcCloud<ParcelType> > >
                 wallInteractionModel_;
 
 
-        // Reference to the particle integration schemes
-
-            //- Velocity integration
-            autoPtr<vectorIntegrationScheme> UIntegrator_;
-
-
     // Private Member Functions
 
+        //- Build the constant properties for all of the species
+        void buildConstProps();
+
         //- Record which particles are in which cell
-        void buildCellOccupancy()
+        void buildCellOccupancy();
+
+        //- Calculate collisions between molecules
+        void collisions();
 
         //- Disallow default bitwise copy construct
         DsmcCloud(const DsmcCloud&);
@@ -165,35 +155,38 @@ public:
                 //- Return particle properties dictionary
                 inline const IOdictionary& particleProperties() const;
 
+                //- Return the number of real particles represented by one
+                //- parcel
+                inline label nParticle() const;
+
+                //- Return the cell occupancy addressing
+                inline const List<DynamicList<ParcelType*> >&
+                    cellOccupancy() const;
+
+                //- 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();
 
 
             // Sub-models
 
-                //- Return reference to injection model
-                inline const CollisionModel<DsmcCloud<ParcelType> >&
-                    collision() const;
-
-                //- Return reference to injection model
-                inline const InjectionModel<DsmcCloud<ParcelType> >&
-                    injection() const;
-
-                inline InjectionModel<DsmcCloud<ParcelType> >&
-                    injection();
+                //- Return reference to binary elastic collision model
+                inline const
+                BinaryElasticCollisionModel<DsmcCloud<ParcelType> >&
+                    binaryElasticCollision() const;
 
                 //- Return reference to wall interaction model
                 inline const WallInteractionModel<DsmcCloud<ParcelType> >&
                     wallInteraction() const;
 
-
-            // Integration schemes
-
-                //-Return reference to velocity integration
-                inline const vectorIntegrationScheme& UIntegrator() const;
-
-
-
         // Check
 
             //- Total mass injected
@@ -224,7 +217,7 @@ public:
                 inline const tmp<volVectorField> U() const;
 
                 //- Return the temperature field
-                inline const tmp<volScalarField> T() const;
+                inline const tmp<volScalarField> totalKE() const;
 
 
         // Cloud evolution functions
@@ -235,7 +228,7 @@ public:
                 const vector& position,
                 const vector& U,
                 const label cellId,
-                const label speciesId,
+                const label typeId
             );
 
             //- Evolve the cloud (move, collide)

src/lagrangian/dsmc/clouds/Templates/DsmcCloud/DsmcCloudI.H

@@ -49,42 +49,60 @@ Foam::DsmcCloud<ParcelType>::particleProperties() const
 
 
 template<class ParcelType>
-inline const Foam::CollisionModel<Foam::DsmcCloud<ParcelType> >&
-Foam::DsmcCloud<ParcelType>::collision() const
+inline Foam::label Foam::DsmcCloud<ParcelType>::nParticle() const
 {
-    return collisionModel_;
+    return nParticle_;
 }
 
 
 template<class ParcelType>
-inline const Foam::InjectionModel<Foam::DsmcCloud<ParcelType> >&
-Foam::DsmcCloud<ParcelType>::injection() const
+inline const Foam::List<Foam::DynamicList<ParcelType*> >&
+Foam::DsmcCloud<ParcelType>::cellOccupancy() const
 {
-    return injectionModel_;
+    return cellOccupancy_;
 }
 
 
 template<class ParcelType>
-inline Foam::InjectionModel<Foam::DsmcCloud<ParcelType> >&
-Foam::DsmcCloud<ParcelType>::injection()
+inline const Foam::List<typename ParcelType::constantProperties>&
+Foam::DsmcCloud<ParcelType>::constProps() const
 {
-    return injectionModel_();
+    return constProps_;
 }
 
 
 template<class ParcelType>
-inline const Foam::WallInteractionModel<Foam::DsmcCloud<ParcelType> >&
-Foam::DsmcCloud<ParcelType>::wallInteraction() const
+inline const typename ParcelType::constantProperties&
+Foam::DsmcCloud<ParcelType>::constProps
+(
+    label typeId
+) const
 {
-    return wallInteractionModel_;
+    if (typeId < 0 || typeId >= constProps_.size())
+    {
+        FatalErrorIn("Foam::DsmcCloud<ParcelType>::constProps(label typeId)")
+            << "constantProperties for requested typeId index "
+            << typeId << " do not exist"  << nl
+            << abort(FatalError);
+    }
+
+    return constProps_[typeId];
+}
+
+
+template<class ParcelType>
+inline const Foam::BinaryElasticCollisionModel<Foam::DsmcCloud<ParcelType> >&
+Foam::DsmcCloud<ParcelType>::binaryElasticCollision() const
+{
+    return binaryElasticCollisionModel_;
 }
 
 
 template<class ParcelType>
-inline const Foam::vectorIntegrationScheme&
-Foam::DsmcCloud<ParcelType>::UIntegrator() const
+inline const Foam::WallInteractionModel<Foam::DsmcCloud<ParcelType> >&
+Foam::DsmcCloud<ParcelType>::wallInteraction() const
 {
-    return UIntegrator_;
+    return wallInteractionModel_;
 }
 
 
@@ -188,7 +206,7 @@ Foam::DsmcCloud<ParcelType>::U() const
 {
     tmp<volScalarField> tU
     (
-        new volScalarField
+        new volVectorField
         (
             IOobject
             (
@@ -215,15 +233,15 @@ Foam::DsmcCloud<ParcelType>::U() const
 
 template<class ParcelType>
 inline const Foam::tmp<Foam::volScalarField>
-Foam::DsmcCloud<ParcelType>::T() const
+Foam::DsmcCloud<ParcelType>::totalKE() const
 {
-    tmp<volScalarField> tT
+    tmp<volScalarField> ttotalKE
     (
         new volScalarField
         (
             IOobject
             (
-                this->name() + "T",
+                this->name() + "totalKE",
                 this->db().time().timeName(),
                 this->db(),
                 IOobject::NO_READ,
@@ -235,7 +253,7 @@ Foam::DsmcCloud<ParcelType>::T() const
         )
     );
 
-    return tT;
+    return ttotalKE;
 }
 
 // template<class ParcelType>

src/lagrangian/dsmc/clouds/baseClasses/DsmcBaseCloud/DsmcBaseCloud.H

@@ -35,6 +35,8 @@ SourceFiles
 #ifndef DsmcBaseCloud_H
 #define DsmcBaseCloud_H
 
+#include "volFields.H"
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam