ratesLibrary

Class GrapheneGaillardRates

java.lang.Object

ratesLibrary.GrapheneGaillardRates

All Implemented Interfaces:

IRates

public class GrapheneGaillardRates
extends java.lang.Object
implements IRates

Rates based on paper Gaillard, P., Chanier, T., Henrard, L., Moskovkin, P., & Lucas, S. (2015). Multiscale simulations of the early stages of the growth of graphene on copper. Surface Science, 637, 11-18, http://dx.doi.org/10.1016/j.susc.2015.02.014. Only the first neighbour of AbstractAtom and GrapheneTypesTable are considered.

Author:

N. Ferrando, J. Alberdi-Rodriguez

Field Summary

Fields

Modifier and Type	Field and Description
private double	diffusionMl
private double	eDiff
private double	eInc
private double	eNn
private double	eNnn
private double	islandDensityPerSite
private double	prefactor

Fields inherited from interface ratesLibrary.IRates

h, hEv, kB, kBInt, Na

Constructor Summary

Constructors

Constructor and Description
GrapheneGaillardRates()

Method Summary

Modifier and Type	Method and Description
double	getDepositionRatePerSite()
double	getEnergy(int i, int j)
double	getIslandDensity(double temperature) Returns the island density mono layer depending on the temperature.
double	getRate(int originN1, int originN2, int destinationN1, int destinationN2, double temperature) Rate is calculated with the formulas 8, 9 and 10 of the paper.
double[]	getRates(double temperature) Does nothing
void	setDepositionFlux(double diffusionMl) Diffusion Mono Layer (F).

Methods inherited from class java.lang.Object

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

Field Detail

diffusionMl

private double diffusionMl

islandDensityPerSite

private final double islandDensityPerSite

See Also:

Constant Field Values

prefactor

private final double prefactor

eDiff

private final double eDiff

eNn

private final double eNn

eNnn

private final double eNnn

eInc

private final double eInc

Constructor Detail

GrapheneGaillardRates

public GrapheneGaillardRates()

Method Detail

getRate

public double getRate(int originN1,
                      int originN2,
                      int destinationN1,
                      int destinationN2,
                      double temperature)

Rate is calculated with the formulas 8, 9 and 10 of the paper.

Parameters:

originN1 -

originN2 -

destinationN1 -

destinationN2 -

temperature -

Returns:

current rate.

getDepositionRatePerSite

public double getDepositionRatePerSite()

Specified by:

getDepositionRatePerSite in interface IRates

getIslandDensity

public double getIslandDensity(double temperature)

Returns the island density mono layer depending on the temperature. How many islands per area site are generated at current temperature. Usually with higher temperature less islands are created, and thus, island density is lower. And the other way around.

Specified by:

getIslandDensity in interface IRates

Parameters:

temperature - Not implemented yet: temperature in Kelvin.

Returns:

island density

setDepositionFlux

public void setDepositionFlux(double diffusionMl)

Diffusion Mono Layer (F). Utilised to calculate absorption rate. By default it F=0.000035 ML/s. The perimeter deposition is calculated multiplying F (this) and island density.

Specified by:

setDepositionFlux in interface IRates

Parameters:

diffusionMl - diffusion mono layer (deposition flux)

getRates

public double[] getRates(double temperature)

Does nothing

Specified by:

getRates in interface IRates

Parameters:

temperature -

Returns:

rates[64]

getEnergy

public double getEnergy(int i,
                        int j)

Specified by:

getEnergy in interface IRates