Base class for interaction between Kinetic Monte Carlo and Ito-based plasma solvers. More...

#include <CD_ItoPlasmaPhysics.H>

Inheritance diagram for Physics::ItoPlasma::ItoPlasmaPhysics:

Collaboration diagram for Physics::ItoPlasma::ItoPlasmaPhysics:

[legend]

Public Member Functions
	ItoPlasmaPhysics ()
	Constructor. Does nothing.

virtual	~ItoPlasmaPhysics ()
	Destructor. Does nothing.

virtual Real	computeDt (const RealVect a_E, const RealVect a_pos, const Vector< FPR > a_numParticles) const noexcept
	Compute a time step to use. More...

virtual Real	computeAlpha (const RealVect a_E) const =0
	Compute Townsend ionization coefficient. More...

const Vector< RefCountedPtr< ItoSpecies > > &	getItoSpecies () const
	Get all particle species. More...

const Vector< RefCountedPtr< RtSpecies > > &	getRtSpecies () const
	Get all photon species. More...

int	getNumPlasmaSpecies () const
	Return number of ion equations.

int	getNumPhotonSpecies () const
	Return number of RTE equations.

virtual void	parseRuntimeOptions () noexcept
	Parse run-time options.

virtual Real	initialSigma (const Real a_time, const RealVect a_pos) const
	Set initial surface charge. Default is 0, override if you want. More...

virtual Vector< Real >	computeItoMobilities (const Real a_time, const RealVect a_pos, const RealVect a_E) const noexcept=0
	Compute the Ito solver mobilities. More...

virtual Vector< Real >	computeItoDiffusion (const Real a_time, const RealVect a_pos, const RealVect a_E) const noexcept=0
	Compute the Ito solver diffusion coefficients. More...

virtual void	injectParticlesEB (Vector< List< ItoParticle >> &a_outgoingParticles, Vector< List< Photon >> &a_outgoingPhotons, const Vector< List< ItoParticle >> &a_incomingParticles, const Vector< List< Photon >> &a_incomingPhotons, const Vector< FPR > &a_newNumParticles, const Vector< FPR > &a_oldNumParticles, const RealVect &a_E, const RealVect &a_cellCenter, const RealVect &a_cellCentroid, const RealVect &a_bndryCentroid, const RealVect &a_bndryNormal, const Real a_bndryArea, const Real a_dx, const Real a_dt, const bool a_isDielectric, const int a_matIndex) const noexcept=0
	Resolve particle and photon injection at the EB. More...

void	advanceKMC (Vector< FPR > &a_numParticles, Vector< FPR > &a_numNewPhotons, const Real a_dt, const RealVect a_E, const Real a_dx, const Real a_kappa) const
	Advance particles. More...

void	reconcileParticles (Vector< List< ItoParticle > * > &a_particles, const Vector< FPR > &a_newNumParticles, const Vector< FPR > &a_oldNumParticles, const RealVect a_cellPos, const RealVect a_centroidPos, const RealVect a_lo, const RealVect a_hi, const RealVect a_bndryCentroid, const RealVect a_bndryNormal, const Real a_dx, const Real a_kappa) const noexcept
	Reconcile the number of particles. More...

void	reconcilePhotons (Vector< List< Photon > * > &a_newPhotons, const Vector< FPR > &a_numNewPhotons, const RealVect a_cellPos, const RealVect a_centroidPos, const RealVect a_lo, const RealVect a_hi, const RealVect a_bndryCentroid, const RealVect a_bndryNormal, const Real a_dx, const Real a_kappa) const noexcept
	Generate new photons. More...

void	reconcilePhotoionization (Vector< List< ItoParticle > * > &a_particles, const Vector< List< Photon > * > &a_absorbedPhotons) const noexcept
	Reconcile photoionization reactions. More...

Protected Types
enum class	Algorithm { SSA , Tau , Hybrid }
	Enum for switching between KMC algorithms. More...

enum class	ParticlePlacement { Random , Centroid }
	Enum for switching between various particle placement algorithms.

Protected Member Functions
void	defineKMC () noexcept
	Define the KMC solver and state.

void	parsePPC () noexcept
	Parse the maximum number of particles generated per cell.

void	parseDebug () noexcept
	Parse the maximum number of particles generated per cell.

void	parseAlgorithm () noexcept
	Parse reaction algorithm.

virtual void	updateReactionRates (const RealVect a_E, const Real a_dx, const Real a_kappa) const noexcept=0
	Update reaction rates. More...

void	removeParticles (List< ItoParticle > &a_particles, const long long a_numToRemove) const
	Remove particles from the input list. More...

Protected Attributes
Algorithm	m_algorithm
	Algorithm to use for KMC advance.

ParticlePlacement	m_particlePlacement
	Particle placement algorithm.

std::string	m_className
	Class name. Used for options parsing.

bool	m_debug
	Turn on/off debugging.

KMCState	m_kmcState
	Kinetic Monte Carlo state.

KMCSolverType	m_kmcSolver
	Kinetic Monte Carlo solver.

std::vector< std::shared_ptr< const KMCReaction > >	m_kmcReactions
	List of reactions for the KMC solver.

std::vector< std::shared_ptr< const ItoPlasmaPhotoReaction > >	m_photoReactions
	List of photoionization reactions.

Vector< RefCountedPtr< ItoSpecies > >	m_plasmaSpecies
	List of solver-tracked particle species.

Vector< RefCountedPtr< RtSpecies > >	m_rtSpecies
	List of solver-tracked photon species.

int	m_maxNewParticles
	Maximum new number of particles generated by the chemistry advance.

int	m_maxNewPhotons
	Maximum new number of photons generated by the chemistry advance.

int	m_Ncrit
	Solver setting for the Cao et. al algorithm. More...

int	m_NSSA
	Solver setting for the Cao et. al algorithm. More...

Real	m_SSAlim
	Solver setting for the Cao et. al. algorithm. More...

Real	m_eps
	Solver setting for the Cao et. al. algorithm. More...

Detailed Description

Base class for interaction between Kinetic Monte Carlo and Ito-based plasma solvers.

When using this class, the user should populate m_kmcReactions with the appropriate reactions AND implement routines for computing the mobility/diffusion coefficeints.

Member Enumeration Documentation

◆ Algorithm

enum Physics::ItoPlasma::ItoPlasmaPhysics::Algorithm

strongprotected

Enum for switching between KMC algorithms.

'SSA' is the Gillespie algorithm, 'Tau' is tau-leaping and 'Hybrid' is the Cao et. al. algorithm.

Member Function Documentation

◆ advanceKMC()

void ItoPlasmaPhysics::advanceKMC	(	Vector< FPR > &	a_numParticles,
		Vector< FPR > &	a_numNewPhotons,
		const Real	a_dt,
		const RealVect	a_E,
		const Real	a_dx,
		const Real	a_kappa
	)		const

inline

Advance particles.

Parameters

[in,out]	a_numParticles	Number of physical particles
[out]	a_numNewPhotons	Number of new physical photons to generate (of each type)
[in]	a_dt	Time step
[in]	a_E	Electric field
[in]	a_dx	Grid resolution
[in]	a_kappa	Cut-cell volume fraction.

◆ computeAlpha()

virtual Real Physics::ItoPlasma::ItoPlasmaPhysics::computeAlpha ( const RealVect a_E ) const

pure virtual

Compute Townsend ionization coefficient.

Parameters

[in] a_E Electric field.

Returns: Should return the Townsend ionization coefficient.

Implemented in Physics::ItoPlasma::ItoPlasmaAir3LFA.

◆ computeDt()

Real ItoPlasmaPhysics::computeDt	(	const RealVect	a_E,
		const RealVect	a_pos,
		const Vector< FPR >	a_numParticles
	)		const

inlinevirtualnoexcept

Compute a time step to use.

Parameters

[in]	a_E	Electric field.
[in]	a_pos	Position
[in]	a_numParticles	Number of reactive particles of each species

Returns: Default returns infinity but user can implement a physics based time step.

Reimplemented in Physics::ItoPlasma::ItoPlasmaAir3LFA.

◆ computeItoDiffusion()

virtual Vector<Real> Physics::ItoPlasma::ItoPlasmaPhysics::computeItoDiffusion	(	const Real	a_time,
		const RealVect	a_pos,
		const RealVect	a_E
	)		const

pure virtualnoexcept

Compute the Ito solver diffusion coefficients.

Parameters

[in]	a_time	Time
[in]	a_pos	Position
[in]	a_E	Electric field

Returns: Must return a vector of non-negative diffusion coefficients for the plasma species

Implemented in Physics::ItoPlasma::ItoPlasmaAir3LFA.

◆ computeItoMobilities()

virtual Vector<Real> Physics::ItoPlasma::ItoPlasmaPhysics::computeItoMobilities	(	const Real	a_time,
		const RealVect	a_pos,
		const RealVect	a_E
	)		const

pure virtualnoexcept

Compute the Ito solver mobilities.

Parameters

[in]	a_time	Time
[in]	a_pos	Position
[in]	a_E	Electric field

Returns: Must return a vector of non-negative mobility coefficients for the plasma species

Implemented in Physics::ItoPlasma::ItoPlasmaAir3LFA.

◆ getItoSpecies()

const Vector< RefCountedPtr< ItoSpecies > > & ItoPlasmaPhysics::getItoSpecies ( ) const

inline

Get all particle species.

Returns: m_plasmaSpecies

◆ getRtSpecies()

const Vector< RefCountedPtr< RtSpecies > > & ItoPlasmaPhysics::getRtSpecies ( ) const

inline

Get all photon species.

Returns: m_rtSpecies

◆ initialSigma()

Real ItoPlasmaPhysics::initialSigma	(	const Real	a_time,
		const RealVect	a_pos
	)		const

inlinevirtual

Set initial surface charge. Default is 0, override if you want.

Parameters

[in]	a_time	Simulation time
[in]	a_pos	Physical coordinate

◆ injectParticlesEB()

virtual void Physics::ItoPlasma::ItoPlasmaPhysics::injectParticlesEB	(	Vector< List< ItoParticle >> &	a_outgoingParticles,
		Vector< List< Photon >> &	a_outgoingPhotons,
		const Vector< List< ItoParticle >> &	a_incomingParticles,
		const Vector< List< Photon >> &	a_incomingPhotons,
		const Vector< FPR > &	a_newNumParticles,
		const Vector< FPR > &	a_oldNumParticles,
		const RealVect &	a_E,
		const RealVect &	a_cellCenter,
		const RealVect &	a_cellCentroid,
		const RealVect &	a_bndryCentroid,
		const RealVect &	a_bndryNormal,
		const Real	a_bndryArea,
		const Real	a_dx,
		const Real	a_dt,
		const bool	a_isDielectric,
		const int	a_matIndex
	)		const

pure virtualnoexcept

Resolve particle and photon injection at the EB.

Routine is here to handle charge injection, secondary emission etc.

Parameters

[out]	a_outgoingParticles	Outgoing plasma species particles.
[out]	a_outgoingPhotons	Photons injected through the EB
[in]	a_incomingParticles	Particles that left the computational domain through the EB
[in]	a_incomingPhotons	Photons that left the computational domain through the EB
[in]	a_newNumParticles	Total number of particles in the cut-cell AFTER the transport step
[in]	a_oldNumParticles	Total number of particles in the cut-cell BEFORE the transport step
[in]	a_electricField	Electric field
[in]	a_cellCenter	Physical position of the cell center.
[in]	a_cellCentroid	Cell centroid relative to the cell center (not multiplied by dx)
[in]	a_bndryCentroid	EB face centroid relative to the cell center (not multiplied by dx)
[in]	a_bndryNormal	Cut-cell normal vector.
[in]	a_bndryArea	Cut-cell boundary area - not multiplied by dx (2D) or dx^2 (3D)
[in]	a_dx	Grid resolution on this level.
[in]	a_dt	Time step
[in]	a_isDielectric	Dielectric or electrode.
[in]	a_matIndex	Material index (taken from computationalGeometry)

Implemented in Physics::ItoPlasma::ItoPlasmaAir3LFA.

◆ reconcileParticles()

void ItoPlasmaPhysics::reconcileParticles	(	Vector< List< ItoParticle > * > &	a_particles,
		const Vector< FPR > &	a_newNumParticles,
		const Vector< FPR > &	a_oldNumParticles,
		const RealVect	a_cellPos,
		const RealVect	a_centroidPos,
		const RealVect	a_lo,
		const RealVect	a_hi,
		const RealVect	a_bndryCentroid,
		const RealVect	a_bndryNormal,
		const Real	a_dx,
		const Real	a_kappa
	)		const

inlinenoexcept

Reconcile the number of particles.

This will add/remove particles and potentially also adjust the particle weights.

Parameters

[in,out]	a_particles	Computational particles
[in]	a_newNumParticles	New number of particles (i.e., after the KMC advance)
[in]	a_oldNumParticles	Previous number of particles (i.e., before the KMC advance)
[in]	a_cellPos	Cell center position
[in]	a_centroidPos	Cell centroid position
[in]	a_loCorner	Low corner of minimum box enclosing the cut-cell
[in]	a_hiCorner	High corner of minimum box enclosing the cut-cell
[in]	a_bndryCentroid	Cut-cell boundary centroid
[in]	a_bndryNormal	Cut-cell normal (pointing into the domain)
[in]	a_dx	Grid resolution
[in]	a_kappa	Cut-cell volume fraction.

Note: Public because this is called by ItoPlasmaStepper

◆ reconcilePhotoionization()

void ItoPlasmaPhysics::reconcilePhotoionization	(	Vector< List< ItoParticle > * > &	a_particles,
		const Vector< List< Photon > * > &	a_absorbedPhotons
	)		const

inlinenoexcept

Reconcile photoionization reactions.

Parameters

[in,out]	a_particles	Particle products.
[in]	a_absorbedPhotons	Photons absorbed on the mesh.

This runs through the photo-reactions and associates photo-ionization products.

◆ reconcilePhotons()

void ItoPlasmaPhysics::reconcilePhotons	(	Vector< List< Photon > * > &	a_newPhotons,
		const Vector< FPR > &	a_numNewPhotons,
		const RealVect	a_cellPos,
		const RealVect	a_centroidPos,
		const RealVect	a_lo,
		const RealVect	a_hi,
		const RealVect	a_bndryCentroid,
		const RealVect	a_bndryNormal,
		const Real	a_dx,
		const Real	a_kappa
	)		const

inlinenoexcept

Generate new photons.

This will add photons

Parameters

[in]	a_newPhotons	New photons
[in]	a_numNewPhotons	Number of physical photons to be generated.
[in]	a_cellPos	Cell center position
[in]	a_centroidPos	Cell centroid position
[in]	a_loCorner	Low corner of minimum box enclosing the cut-cell
[in]	a_hiCorner	High corner of minimum box enclosing the cut-cell
[in]	a_bndryCentroid	Cut-cell boundary centroid
[in]	a_bndryNormal	Cut-cell normal (pointing into the domain)
[in]	a_dx	Grid resolution
[in]	a_kappa	Cut-cell volume fraction.

Note: Public because this is called by ItoPlasmaStepper

◆ removeParticles()

void ItoPlasmaPhysics::removeParticles	(	List< ItoParticle > &	a_particles,
		const long long	a_numToRemove
	)		const

inlineprotected

Remove particles from the input list.

This will remove weight from the input particles if we can. Otherwise we remove full particles.

Parameters

[in,out]	a_particles	List of (super-)particles to remove from.
[in]	a_numToRemove	Number of physical particles to remove from the input list

◆ updateReactionRates()

virtual void Physics::ItoPlasma::ItoPlasmaPhysics::updateReactionRates	(	const RealVect	a_E,
		const Real	a_dx,
		const Real	a_kappa
	)		const

protectedpure virtualnoexcept

Update reaction rates.

Parameters

[in]	a_E	Electric field
[in]	a_dx	Grid resolution
[in]	a_kappa	Cut-cell volume fraction

Note: Must be implemented by the user.

Implemented in Physics::ItoPlasma::ItoPlasmaAir3LFA.

Member Data Documentation

◆ m_eps

Real Physics::ItoPlasma::ItoPlasmaPhysics::m_eps

protected

Solver setting for the Cao et. al. algorithm.

Equal to the maximum permitted change in the relative propensity for non-critical reactions

◆ m_Ncrit

int Physics::ItoPlasma::ItoPlasmaPhysics::m_Ncrit

protected

Solver setting for the Cao et. al algorithm.

Determines critical reactions. A reaction is critical if it is m_Ncrit firings away from depleting a reactant.

◆ m_NSSA

int Physics::ItoPlasma::ItoPlasmaPhysics::m_NSSA

protected

Solver setting for the Cao et. al algorithm.

Maximum number of SSA steps to run when switching into SSA-based advancement for non-critical reactions.

◆ m_SSAlim

Real Physics::ItoPlasma::ItoPlasmaPhysics::m_SSAlim

protected

Solver setting for the Cao et. al. algorithm.

Equal to the maximum permitted change in the relative propensity for non-critical reactions

The documentation for this class was generated from the following files:

Physics/ItoPlasma/CD_ItoPlasmaPhysics.H
Physics/ItoPlasma/CD_ItoPlasmaPhysicsImplem.H

Public Member Functions

Protected Types

Protected Member Functions

Protected Attributes

Detailed Description

Member Enumeration Documentation

◆ Algorithm

Member Function Documentation

◆ advanceKMC()

◆ computeAlpha()

◆ computeDt()

◆ computeItoDiffusion()

◆ computeItoMobilities()

◆ getItoSpecies()

◆ getRtSpecies()

◆ initialSigma()

◆ injectParticlesEB()

◆ reconcileParticles()

◆ reconcilePhotoionization()

◆ reconcilePhotons()

◆ removeParticles()

◆ updateReactionRates()

Member Data Documentation

◆ m_eps

◆ m_Ncrit

◆ m_NSSA

◆ m_SSAlim