kineticMonteCarlo.atom

Class GrapheneAtomSchoenhalz

java.lang.Object

kineticMonteCarlo.atom.AbstractAtom

kineticMonteCarlo.atom.AbstractGrowthAtom

kineticMonteCarlo.atom.GrapheneAtom

kineticMonteCarlo.atom.GrapheneAtomSchoenhalz

All Implemented Interfaces:

java.lang.Comparable, IAtom, IElement

public class GrapheneAtomSchoenhalz
extends GrapheneAtom

Based on paper P. Gaillard, T. Chanier, L. Henrard, P. Moskovkin, S. Lucas. Surface Science, Volumes 637–638, July–August 2015, Pages 11-18, http://dx.doi.org/10.1016/j.susc.2015.02.014.

Author:

J. Alberdi-Rodriguez

Field Summary

Fields

Modifier and Type	Field and Description
private GrapheneAtomSchoenhalz[]	neighbours
private GrapheneSchoenhalzRates	rates

Fields inherited from class kineticMonteCarlo.atom.AbstractAtom

ARMCHAIR_EDGE, BULK, CORNER, EDGE, KINK, SICK, TERRACE, ZIGZAG_EDGE, ZIGZAG_WITH_EXTRA

Constructor Summary

Constructors

Constructor and Description
GrapheneAtomSchoenhalz(int id, short iHexa, short jHexa, HopsPerStep distancePerStep)

Method Summary

Modifier and Type	Method and Description
GrapheneAtomSchoenhalz	getNeighbour(int pos)
boolean	isEligible() Only BULK atom types are considered immobile atoms.
double	probJumpToNeighbour(int originType, int pos) Probability to jump to given neighbour position.
void	setNeighbours(GrapheneAtom[] neighbours)

Methods inherited from class kineticMonteCarlo.atom.GrapheneAtom

areTwoTerracesTogether, chooseRandomHop, clear, getAllNeighbours, getDistancePerStep, getN1, getN2, getN3, getNeighbourCount, getNewType, getOrientation, getTypeWithoutNeighbour, isPartOfImmobilSubstrate, obtainRateFromNeighbours, setN1, setNeighbour, updateOneBound

Methods inherited from class kineticMonteCarlo.atom.AbstractGrowthAtom

addOccupiedNeighbour, addProbability, addRate, addToSumRate, areTwoTerracesTogetherInPerimeter, compareTo, equalRate, equals, getAngle, getAttributes, getBondsProbability, getBondsProbability, getCartesianPosition, getCartesianSuperCell, getDepositionPosition, getDepositionTime, getEdgeRate, getHops, getId, getiHexa, getIslandNumber, getjHexa, getMultiAtomNumber, getMultiplier, getOccupiedNeighbours, getProbability, getProbability, getProbability, getRate, getSumRate, getType, hashCode, initialiseRates, isInnerPerimeter, isIsolated, isOnList, isOuterPerimeter, isOutside, isVisited, remove, removeMultiAtomNumber, removeMultiAtoms, resetPerimeter, resetProbability, setAngle, setAttributes, setBondsProbability, setBondsProbability, setCartesianPosition, setCartesianSuperCell, setDepositionPosition, setDepositionTime, setHops, setInnerPerimeter, setIslandNumber, setMultiAtomNumber, setMultiplier, setOnList, setOuterPerimeter, setOutside, setProcceses, setRate, setSumRate, setType, setVisited, swapAttributes, toString, updateRate

Methods inherited from class kineticMonteCarlo.atom.AbstractAtom

getNumberOfNeighbours, getPos, getProbabilities, getRealType, isOccupied, isOnList, isRemoved, setList, setNeighbour, setNumberOfNeighbours, setOccupied, setProbabilities, setRemoved, unRemove

Methods inherited from class java.lang.Object

clone, finalize, getClass, notify, notifyAll, wait, wait, wait

Field Detail

rates

private GrapheneSchoenhalzRates rates

neighbours

private GrapheneAtomSchoenhalz[] neighbours

Constructor Detail

GrapheneAtomSchoenhalz

public GrapheneAtomSchoenhalz(int id,
                              short iHexa,
                              short jHexa,
                              HopsPerStep distancePerStep)

Method Detail

setNeighbours

public void setNeighbours(GrapheneAtom[] neighbours)

Overrides:

setNeighbours in class GrapheneAtom

getNeighbour

public GrapheneAtomSchoenhalz getNeighbour(int pos)

Overrides:

getNeighbour in class GrapheneAtom

isEligible

public boolean isEligible()

Only BULK atom types are considered immobile atoms.

Specified by:

isEligible in interface IAtom

Overrides:

isEligible in class GrapheneAtom

Returns:

true if current atom can be moved, false otherwise.

probJumpToNeighbour

public double probJumpToNeighbour(int originType,
                                  int pos)

Probability to jump to given neighbour position. Only zigzag edge diffusion is a jump to second neighbour.

Overrides:

probJumpToNeighbour in class GrapheneAtom

Parameters:

originType -

pos -

Returns:

probability