DSMCCloud.H
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25 
26 Class
27  Foam::DSMCCloud
28 
29 Description
30  Templated base class for dsmc cloud
31 
32 SourceFiles
33  DSMCCloudI.H
34  DSMCCloud.C
35 
36 \*---------------------------------------------------------------------------*/
37 
38 #ifndef DSMCCloud_H
39 #define DSMCCloud_H
40 
41 #include "Cloud.H"
42 #include "DSMCBaseCloud.H"
43 #include "IOdictionary.H"
44 #include "autoPtr.H"
45 #include "Random.H"
46 #include "fvMesh.H"
47 #include "volFields.H"
48 #include "scalarIOField.H"
49 #include "barycentric.H"
50 
51 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
52 
53 namespace Foam
54 {
55 
56 // Forward declaration of classes
57 
58 template<class CloudType>
60 
61 template<class CloudType>
63 
64 template<class CloudType>
66 
67 /*---------------------------------------------------------------------------*\
68  Class DSMCCloud Declaration
69 \*---------------------------------------------------------------------------*/
70 
71 template<class ParcelType>
72 class DSMCCloud
73 :
74  public Cloud<ParcelType>,
75  public DSMCBaseCloud
76 {
77  // Private data
78 
79  //- Cloud type - used to set the name of the parcel properties
80  // dictionary by appending "Properties"
81  const word cloudName_;
82 
83  //- References to the mesh and time databases
84  const fvMesh& mesh_;
85 
86  //- Dictionary of particle properties
87  IOdictionary particleProperties_;
88 
89  //- A list of unique instances of molecule types in the
90  // simulation. The position of an entry in the list maps to
91  // the label identifying the typeId, i.e. where typeIdList_ =
92  // (N2 O2 CO2) N2 has typeId label = 0, O2 = 1, CO2 = 2.
93  List<word> typeIdList_;
94 
95  //- Number of real atoms/molecules represented by a parcel
96  scalar nParticle_;
97 
98  //- A data structure holding which particles are in which cell
99  List<DynamicList<ParcelType*>> cellOccupancy_;
100 
101  //- A field holding the value of (sigmaT * cR)max for each
102  // cell (see Bird p220). Initialised with the parcels,
103  // updated as required, and read in on start/restart.
104  volScalarField sigmaTcRMax_;
105 
106  //- A field holding the remainder from the previous collision selections
107  volScalarField::Internal collisionSelectionRemainder_;
108 
109  //- Heat flux at surface field
110  volScalarField q_;
111 
112  //- Force density at surface field
113  volVectorField fD_;
114 
115  //- Number density field
116  volScalarField rhoN_;
117 
118  //- Mass density field
119  volScalarField rhoM_;
120 
121  //- Dsmc particle density field
122  volScalarField dsmcRhoN_;
123 
124  //- Linear kinetic energy density field
125  volScalarField linearKE_;
126 
127  //- Internal energy density field
128  volScalarField internalE_;
129 
130  // Internal degree of freedom density field
131  volScalarField iDof_;
132 
133  //- Momentum density field
134  volVectorField momentum_;
135 
136  //- Parcel constant properties - one for each type
138 
139  //- Random number generator
140  Random rndGen_;
141 
142 
143  // Boundary value fields
144 
145  //- Boundary temperature
146  volScalarField boundaryT_;
147 
148  //- Boundary velocity
149  volVectorField boundaryU_;
150 
151 
152  // References to the cloud sub-models
153 
154  //- Binary collision model
156  binaryCollisionModel_;
157 
158  //- Wall interaction model
160  wallInteractionModel_;
161 
162  //- Inflow boundary model
164  inflowBoundaryModel_;
165 
166 
167  // Private Member Functions
168 
169  //- Build the constant properties for all of the species
170  void buildConstProps();
171 
172  //- Record which particles are in which cell
173  void buildCellOccupancy();
174 
175  //- Initialise the system
176  void initialise(const IOdictionary& dsmcInitialiseDict);
177 
178  //- Calculate collisions between molecules
179  void collisions();
180 
181  //- Reset the data accumulation field values to zero
182  void resetFields();
183 
184  //- Calculate the volume field data
185  void calculateFields();
186 
187  //- No copy construct
188  DSMCCloud(const DSMCCloud&) = delete;
189 
190  //- No copy assignment
191  void operator=(const DSMCCloud&) = delete;
192 
193 
194 public:
195 
196  // Constructors
197 
198  //- Construct given name and mesh, will read Parcels and fields from
199  // file
200  DSMCCloud
201  (
202  const word& cloudName,
203  const fvMesh& mesh,
204  bool readFields = true
205  );
206 
207  //- Construct given name, mesh and initialisation dictionary.
208  DSMCCloud
209  (
210  const word& cloudName,
211  const fvMesh& mesh,
212  const IOdictionary& dsmcInitialiseDict
213  );
214 
215 
216  //- Destructor
217  virtual ~DSMCCloud();
218 
219 
220  //- Type of parcel the cloud was instantiated for
221  typedef ParcelType parcelType;
222 
223 
224  // Member Functions
225 
226  // Access
227 
228  // References to the mesh and databases
229 
230  //- Return the cloud type
231  inline const word& cloudName() const;
232 
233  //- Return reference to the mesh
234  inline const fvMesh& mesh() const;
235 
236 
237  // References to the dsmc specific data
238 
239  //- Return particle properties dictionary
240  inline const IOdictionary& particleProperties() const;
241 
242  //- Return the idList
243  inline const List<word>& typeIdList() const;
244 
245  //- Return the number of real particles represented by one
246  // parcel
247  inline scalar nParticle() const;
248 
249  //- Return the cell occupancy addressing
250  inline const List<DynamicList<ParcelType*>>&
251  cellOccupancy() const;
252 
253  //- Return the sigmaTcRMax field. non-const access to allow
254  // updating.
255  inline volScalarField& sigmaTcRMax();
256 
257  //- Return the collision selection remainder field. non-const
258  // access to allow updating.
260 
261  //- Return all of the constant properties
263  constProps() const;
264 
265  //- Return the constant properties of the given typeId
266  inline const typename ParcelType::constantProperties&
267  constProps(label typeId) const;
268 
269  //- Return reference to the random object
270  inline Random& rndGen();
271 
272 
273  // References to the boundary fields for surface data collection
274 
275  //- Return non-const heat flux boundary field reference
276  inline volScalarField::Boundary& qBF();
277 
278  //- Return non-const force density at boundary field reference
279  inline volVectorField::Boundary& fDBF();
280 
281  //- Return non-const number density boundary field reference
282  inline volScalarField::Boundary& rhoNBF();
283 
284  //- Return non-const mass density boundary field reference
285  inline volScalarField::Boundary& rhoMBF();
286 
287  //- Return non-const linear kinetic energy density boundary
288  // field reference
289  inline volScalarField::Boundary& linearKEBF();
290 
291  //- Return non-const internal energy density boundary field
292  // reference
293  inline volScalarField::Boundary& internalEBF();
294 
295  //- Return non-const internal degree of freedom density boundary
296  // field reference
297  inline volScalarField::Boundary& iDofBF();
298 
299  //- Return non-const momentum density boundary field reference
300  inline volVectorField::Boundary& momentumBF();
301 
302 
303  // References to the macroscopic fields
304 
305  //- Return macroscopic temperature
306  inline const volScalarField& boundaryT() const;
307 
308  //- Return macroscopic velocity
309  inline const volVectorField& boundaryU() const;
310 
311  //- Return heat flux at surface field
312  inline const volScalarField& q() const;
313 
314  //- Return force density at surface field
315  inline const volVectorField& fD() const;
316 
317  //- Return the real particle number density field
318  inline const volScalarField& rhoN() const;
319 
320  //- Return the particle mass density field
321  inline const volScalarField& rhoM() const;
322 
323  //- Return the field of number of DSMC particles
324  inline const volScalarField& dsmcRhoN() const;
325 
326  //- Return the total linear kinetic energy (translational and
327  // thermal density field
328  inline const volScalarField& linearKE() const;
329 
330  //- Return the internal energy density field
331  inline const volScalarField& internalE() const;
332 
333  //- Return the average internal degrees of freedom field
334  inline const volScalarField& iDof() const;
335 
336  //- Return the momentum density field
337  inline const volVectorField& momentum() const;
338 
339 
340  // Kinetic theory helper functions
341 
342  //- Generate a random velocity sampled from the Maxwellian speed
343  // distribution
345  (
346  scalar temperature,
347  scalar mass
348  );
349 
350  //- Generate a random internal energy, sampled from the
351  // equilibrium distribution (Bird eqn 11.22 and 11.23 and
352  // adapting code from DSMC3.FOR)
354  (
355  scalar temperature,
356  direction internalDegreesOfFreedom
357  );
358 
359 
360  // From the Maxwellian distribution:
361  //- Average particle speed
362  inline scalar maxwellianAverageSpeed
363  (
364  scalar temperature,
365  scalar mass
366  ) const;
367 
369  (
370  scalarField temperature,
371  scalar mass
372  ) const;
373 
374  //- RMS particle speed
375  inline scalar maxwellianRMSSpeed
376  (
377  scalar temperature,
378  scalar mass
379  ) const;
380 
382  (
383  scalarField temperature,
384  scalar mass
385  ) const;
386 
387  //- Most probable speed
388  inline scalar maxwellianMostProbableSpeed
389  (
390  scalar temperature,
391  scalar mass
392  ) const;
393 
395  (
396  scalarField temperature,
397  scalar mass
398  ) const;
399 
400 
401  // Sub-models
402 
403  //- Return reference to binary elastic collision model
405  binaryCollision() const;
406 
407  //- Return non-const reference to binary elastic collision model
409  binaryCollision();
410 
411  //- Return reference to wall interaction model
413  wallInteraction() const;
414 
415  //- Return non-const reference to wall interaction model
417  wallInteraction();
418 
419  //- Return reference to wall interaction model
421  inflowBoundary() const;
422 
423  //- Return non-const reference to wall interaction model
425  inflowBoundary();
426 
427 
428  // Check
429 
430  //- Total mass in system
431  inline scalar massInSystem() const;
432 
433  //- Total linear momentum of the system
434  inline vector linearMomentumOfSystem() const;
435 
436  //- Total linear kinetic energy in the system
437  inline scalar linearKineticEnergyOfSystem() const;
438 
439  //- Total internal energy in the system
440  inline scalar internalEnergyOfSystem() const;
441 
442  //- Print cloud information
443  void info() const;
444 
445  //- Dump particle positions to .obj file
446  void dumpParticlePositions() const;
447 
448 
449 
450 
451  // Cloud evolution functions
452 
453  //- Add new parcel
454  void addNewParcel
455  (
456  const vector& position,
457  const label celli,
458  const vector& U,
459  const scalar Ei,
460  const label typeId
461  );
462 
463  //- Evolve the cloud (move, collide)
464  void evolve();
465 
466  //- Clear the Cloud
467  inline void clear();
468 
469 
470  // Mapping
471 
472  //- Remap the particles to the correct cells following mesh change
473  virtual void autoMap(const mapPolyMesh&);
474 };
475 
476 
477 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
478 
479 } // End namespace Foam
480 
481 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
482 
483 #include "DSMCCloudI.H"
484 
485 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
486 
487 #ifdef NoRepository
488  #include "DSMCCloud.C"
489 #endif
490 
491 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
492 
493 #endif
494 
495 // ************************************************************************* //
volFields.H
Foam::IOdictionary
IOdictionary is derived from dictionary and IOobject to give the dictionary automatic IO functionalit...
Definition: IOdictionary.H:54
Foam::Random
Random number generator.
Definition: Random.H:59
Foam::DSMCCloud::rhoMBF
volScalarField::Boundary & rhoMBF()
Return non-const mass density boundary field reference.
Definition: DSMCCloudI.H:156
Foam::DSMCCloud::dumpParticlePositions
void dumpParticlePositions() const
Dump particle positions to .obj file.
Definition: DSMCCloud.C:1032
Foam::DSMCCloud::collisionSelectionRemainder
scalarField & collisionSelectionRemainder()
Return the collision selection remainder field. non-const.
Definition: DSMCCloudI.H:90
Foam::DSMCCloud::massInSystem
scalar massInSystem() const
Total mass in system.
Definition: DSMCCloudI.H:259
Foam::word
A class for handling words, derived from Foam::string.
Definition: word.H:62
Foam::DSMCCloud::rhoNBF
volScalarField::Boundary & rhoNBF()
Return non-const number density boundary field reference.
Definition: DSMCCloudI.H:148
Foam::DSMCCloud::sigmaTcRMax
volScalarField & sigmaTcRMax()
Return the sigmaTcRMax field. non-const access to allow.
Definition: DSMCCloudI.H:82
Foam::DSMCCloud::constProps
const List< typename ParcelType::constantProperties > & constProps() const
Return all of the constant properties.
Definition: DSMCCloudI.H:98
Foam::BinaryCollisionModel
Templated DSMC particle collision class.
Definition: DSMCCloud.H:58
Foam::DSMCCloud::equipartitionLinearVelocity
vector equipartitionLinearVelocity(scalar temperature, scalar mass)
Generate a random velocity sampled from the Maxwellian speed.
Definition: DSMCCloud.C:984
Foam::DSMCCloud::qBF
volScalarField::Boundary & qBF()
Return non-const heat flux boundary field reference.
Definition: DSMCCloudI.H:132
Foam::DSMCCloud::boundaryT
const volScalarField & boundaryT() const
Return macroscopic temperature.
Definition: DSMCCloudI.H:196
Foam::DSMCCloud::boundaryU
const volVectorField & boundaryU() const
Return macroscopic velocity.
Definition: DSMCCloudI.H:204
Cloud.H
Foam::DSMCCloud::momentumBF
volVectorField::Boundary & momentumBF()
Return non-const momentum density boundary field reference.
Definition: DSMCCloudI.H:188
scalarIOField.H
Foam::DSMCCloud::rndGen
Random & rndGen()
Return reference to the random object.
Definition: DSMCCloudI.H:124
Foam::DSMCCloud::fDBF
volVectorField::Boundary & fDBF()
Return non-const force density at boundary field reference.
Definition: DSMCCloudI.H:140
Foam::DSMCCloud::clear
void clear()
Clear the Cloud.
Definition: DSMCCloudI.H:475
Foam::DSMCCloud::typeIdList
const List< word > & typeIdList() const
Return the idList.
Definition: DSMCCloudI.H:60
Foam::DSMCCloud::info
void info() const
Print cloud information.
Definition: DSMCCloud.C:940
Foam::DSMCCloud::cloudName
const word & cloudName() const
Return the cloud type.
Definition: DSMCCloudI.H:37
Foam::DSMCCloud::linearKineticEnergyOfSystem
scalar linearKineticEnergyOfSystem() const
Total linear kinetic energy in the system.
Definition: DSMCCloudI.H:298
Foam::Field< scalar >
Foam::DSMCCloud::mesh
const fvMesh & mesh() const
Return reference to the mesh.
Definition: DSMCCloudI.H:44
Foam::DSMCCloud::iDof
const volScalarField & iDof() const
Return the average internal degrees of freedom field.
Definition: DSMCCloudI.H:461
Foam::DSMCCloud::rhoN
const volScalarField & rhoN() const
Return the real particle number density field.
Definition: DSMCCloudI.H:422
Foam::DSMCCloud::iDofBF
volScalarField::Boundary & iDofBF()
Return non-const internal degree of freedom density boundary.
Definition: DSMCCloudI.H:180
Foam::DSMCCloud::inflowBoundary
const InflowBoundaryModel< DSMCCloud< ParcelType > > & inflowBoundary() const
Return reference to wall interaction model.
Definition: DSMCCloudI.H:244
Foam::DSMCCloud::~DSMCCloud
virtual ~DSMCCloud()
Destructor.
Definition: DSMCCloud.C:903
Foam::DSMCCloud
Templated base class for dsmc cloud.
Definition: DSMCCloud.H:71
Foam::DSMCCloud::cellOccupancy
const List< DynamicList< ParcelType * > > & cellOccupancy() const
Return the cell occupancy addressing.
Definition: DSMCCloudI.H:75
Foam::DSMCCloud::maxwellianRMSSpeed
scalar maxwellianRMSSpeed(scalar temperature, scalar mass) const
RMS particle speed.
Definition: DSMCCloudI.H:358
Foam::WallInteractionModel
Templated wall interaction model class.
Definition: DSMCCloud.H:61
Foam::DSMCCloud::addNewParcel
void addNewParcel(const vector &position, const label celli, const vector &U, const scalar Ei, const label typeId)
Add new parcel.
Definition: DSMCCloud.C:443
Foam::DSMCCloud::internalE
const volScalarField & internalE() const
Return the internal energy density field.
Definition: DSMCCloudI.H:453
Foam::fvMesh
Mesh data needed to do the Finite Volume discretisation.
Definition: fvMesh.H:84
fvMesh.H
Foam
Namespace for OpenFOAM.
Definition: atmBoundaryLayer.C:33
Foam::DSMCCloud::q
const volScalarField & q() const
Return heat flux at surface field.
Definition: DSMCCloudI.H:407
Foam::DSMCCloud::internalEnergyOfSystem
scalar internalEnergyOfSystem() const
Total internal energy in the system.
Definition: DSMCCloudI.H:318
Random.H
DSMCCloudI.H
Foam::readFields
void readFields(const typename GeoFieldType::Mesh &mesh, const IOobjectList &objects, const wordHashSet &selectedFields, LIFOStack< regIOobject * > &storedObjects)
Read the selected GeometricFields of the templated type.
Definition: ReadFieldsTemplates.C:312
Foam::DSMCCloud::maxwellianAverageSpeed
scalar maxwellianAverageSpeed(scalar temperature, scalar mass) const
Average particle speed.
Definition: DSMCCloudI.H:333
IOdictionary.H
Foam::autoPtr
Pointer management similar to std::unique_ptr, with some additional methods and type checking.
Definition: HashPtrTable.H:53
U
U
Definition: pEqn.H:72
Foam::DSMCCloud::internalEBF
volScalarField::Boundary & internalEBF()
Return non-const internal energy density boundary field.
Definition: DSMCCloudI.H:172
Foam::DSMCCloud::linearKEBF
volScalarField::Boundary & linearKEBF()
Return non-const linear kinetic energy density boundary.
Definition: DSMCCloudI.H:164
barycentric.H
Foam::Vector< scalar >
Foam::List< word >
Foam::DSMCCloud::momentum
const volVectorField & momentum() const
Return the momentum density field.
Definition: DSMCCloudI.H:468
Foam::Cloud
Base cloud calls templated on particle type.
Definition: Cloud.H:54
Foam::direction
uint8_t direction
Definition: direction.H:47
Foam::DSMCCloud::autoMap
virtual void autoMap(const mapPolyMesh &)
Remap the particles to the correct cells following mesh change.
Definition: DSMCCloud.C:1054
Foam::mapPolyMesh
Class containing mesh-to-mesh mapping information after a change in polyMesh topology.
Definition: mapPolyMesh.H:160
Foam::DSMCCloud::equipartitionInternalEnergy
scalar equipartitionInternalEnergy(scalar temperature, direction internalDegreesOfFreedom)
Generate a random internal energy, sampled from the.
Definition: DSMCCloud.C:997
Foam::DSMCCloud::maxwellianMostProbableSpeed
scalar maxwellianMostProbableSpeed(scalar temperature, scalar mass) const
Most probable speed.
Definition: DSMCCloudI.H:383
Foam::DSMCCloud::parcelType
ParcelType parcelType
Type of parcel the cloud was instantiated for.
Definition: DSMCCloud.H:220
Foam::DSMCCloud::rhoM
const volScalarField & rhoM() const
Return the particle mass density field.
Definition: DSMCCloudI.H:429
DSMCCloud.C
Foam::DSMCBaseCloud
Virtual abstract base class for templated DSMCCloud.
Definition: DSMCBaseCloud.H:50
Foam::GeometricField< scalar, fvPatchField, volMesh >
Foam::InflowBoundaryModel
Templated inflow boundary model class.
Definition: DSMCCloud.H:64
Foam::DSMCCloud::binaryCollision
const BinaryCollisionModel< DSMCCloud< ParcelType > > & binaryCollision() const
Return reference to binary elastic collision model.
Definition: DSMCCloudI.H:212
Foam::DSMCCloud::dsmcRhoN
const volScalarField & dsmcRhoN() const
Return the field of number of DSMC particles.
Definition: DSMCCloudI.H:437
Foam::DSMCCloud::linearKE
const volScalarField & linearKE() const
Return the total linear kinetic energy (translational and.
Definition: DSMCCloudI.H:445
Foam::DSMCCloud::evolve
void evolve()
Evolve the cloud (move, collide)
Definition: DSMCCloud.C:910
Foam::DSMCCloud::nParticle
scalar nParticle() const
Return the number of real particles represented by one.
Definition: DSMCCloudI.H:67
Foam::DSMCCloud::linearMomentumOfSystem
vector linearMomentumOfSystem() const
Total linear momentum of the system.
Definition: DSMCCloudI.H:278
Foam::DimensionedField
Field with dimensions and associated with geometry type GeoMesh which is used to size the field and a...
Definition: DimensionedField.H:54
Foam::DSMCCloud::fD
const volVectorField & fD() const
Return force density at surface field.
Definition: DSMCCloudI.H:414
Foam::DSMCCloud::wallInteraction
const WallInteractionModel< DSMCCloud< ParcelType > > & wallInteraction() const
Return reference to wall interaction model.
Definition: DSMCCloudI.H:228
autoPtr.H
Foam::DSMCCloud::particleProperties
const IOdictionary & particleProperties() const
Return particle properties dictionary.
Definition: DSMCCloudI.H:52
DSMCBaseCloud.H