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ufsowa / mcdif

Monte Carlo based alghoritms used to simulate thermodynamic and kinetic properties of the alloys
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Surface potentials #36

Closed ufsowa closed 8 years ago

ufsowa commented 8 years ago

You can add, when calculating energy, condition if site belong to surface (ETA > 0.5).

If belong, then add extra energy, to increase barrier of desorption.