kineticMonteCarlo.kmcCore.catalysis

Class CatalysisFarkasKmc

java.lang.Object

kineticMonteCarlo.kmcCore.AbstractKmc

kineticMonteCarlo.kmcCore.growth.AbstractGrowthKmc

kineticMonteCarlo.kmcCore.catalysis.CatalysisKmc

kineticMonteCarlo.kmcCore.catalysis.CatalysisFarkasKmc

All Implemented Interfaces:

IKmc

public class CatalysisFarkasKmc
extends CatalysisKmc

Author:

J. Alberdi-Rodriguez

Field Summary

Fields

Modifier and Type	Field and Description
private double[]	desorptionRateCoCusCoCus
private double[]	diffusionRateCoCusCoCus
private double[]	reactionRateCoOCoCusCoCus

Fields inherited from class kineticMonteCarlo.kmcCore.catalysis.CatalysisKmc

col, desorptionRateCOPerSite, diffusionRateCO, diffusionRateO, doDesorption, doDiffusion, doPrintAllIterations, doReaction, reactionRateCoO

Constructor Summary

Constructors

Constructor and Description
CatalysisFarkasKmc(Parser parser, java.lang.String restartFolder)

Method Summary

Modifier and Type	Method and Description
(package private) double	getDesorptionRate(CatalysisAtom atom) Computes desorption probability.
(package private) double	getDiffusionRate(CatalysisAtom atom, CatalysisAtom neighbour)
(package private) double	getReactionRate(CatalysisAtom atom, CatalysisAtom neighbour) One atom is O and the other CO, for sure.
void	setRates(CatalysisRates rates)

Methods inherited from class kineticMonteCarlo.kmcCore.catalysis.CatalysisKmc

depositSeed, getCoverage, getCoverage, getCoverages, getGapCoverage, getHexagonalPeriodicSurface, getOutputAdsorptionData, getSampledSurface, performSimulationStep, printIteration, printRates, reset, simulate

Methods inherited from class kineticMonteCarlo.kmcCore.growth.AbstractGrowthKmc

getAccelerator, getCurrentRadius, getLattice, getModifiedBuffer, getPerimeter, initialiseRates, isJustCentralFlake, setAccelerator, setArea, setDepositionRate, setLattice, setPerimeter, setTerraceToTerraceProbability

Methods inherited from class kineticMonteCarlo.kmcCore.AbstractKmc

getIterations, getList, getTime, setIterations, setLattice, simulate, simulate

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

desorptionRateCoCusCoCus

private double[] desorptionRateCoCusCoCus

reactionRateCoOCoCusCoCus

private double[] reactionRateCoOCoCusCoCus

diffusionRateCoCusCoCus

private double[] diffusionRateCoCusCoCus

Constructor Detail

CatalysisFarkasKmc

public CatalysisFarkasKmc(Parser parser,
                          java.lang.String restartFolder)

Method Detail

setRates

public void setRates(CatalysisRates rates)

Overrides:

setRates in class CatalysisKmc

getDesorptionRate

double getDesorptionRate(CatalysisAtom atom)

Description copied from class: CatalysisKmc

Computes desorption probability.

Overrides:

getDesorptionRate in class CatalysisKmc

Parameters:

atom - CO molecule.

Returns:

getReactionRate

double getReactionRate(CatalysisAtom atom,
                       CatalysisAtom neighbour)

One atom is O and the other CO, for sure.

Overrides:

getReactionRate in class CatalysisKmc

Parameters:

atom -

neighbour -

Returns:

getDiffusionRate

double getDiffusionRate(CatalysisAtom atom,
                        CatalysisAtom neighbour)

Overrides:

getDiffusionRate in class CatalysisKmc