Relation between macroscopic and microscopic activation energies in non-equilibrium surface processing

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Relation between macroscopic and microscopic activation energies in non-equilibrium surface processing. / Gosalvez, M.A.; Nieminen, R.M.

In: Physical Review E, Vol. 68, No. 3, 031604, 2003, p. 1-16.

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@article{a024f2098b964d1e9cb252c4f70e57bb,
title = "Relation between macroscopic and microscopic activation energies in non-equilibrium surface processing",
abstract = "Realistic Monte Carlo simulations show that the apparent macroscopic activation energy is only partially explained by the expected expression for the average over the microscopic activation energies for surface processing. An additional term accounting for the existence of fluctuations in the fractions of particles has to be taken into account. In all cases considered, the additional term can be accurately estimated by a posteriori analysis of the temperature dependence of the surface densities. In addition, we demonstrate that the relative contribution of the different competing microscopic processes to the macroscopic activation energy can be accurately obtained during the simulations, allowing for the unambiguous identification of the particular surface species which effectively control the process. As an example of the nonequilibrium open interfaces to which the results apply, the case of wet chemical etching of crystalline silicon is considered. The results can be directly applied to surface growth.",
keywords = "anisotropic wet chemical etching, atomistic simulations, crystalline silicon, Monte Carlo, non-equilibrium surface processing, steady state, anisotropic wet chemical etching, atomistic simulations, crystalline silicon, Monte Carlo, non-equilibrium surface processing, steady state, anisotropic wet chemical etching, atomistic simulations, crystalline silicon, Monte Carlo, non-equilibrium surface processing, steady state",
author = "M.A. Gosalvez and R.M. Nieminen",
year = "2003",
doi = "10.1103/PhysRevE.68.031604",
language = "English",
volume = "68",
pages = "1--16",
journal = "Physical Review E",
issn = "2470-0045",
publisher = "American Physical Society",
number = "3",

}

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TY - JOUR

T1 - Relation between macroscopic and microscopic activation energies in non-equilibrium surface processing

AU - Gosalvez, M.A.

AU - Nieminen, R.M.

PY - 2003

Y1 - 2003

N2 - Realistic Monte Carlo simulations show that the apparent macroscopic activation energy is only partially explained by the expected expression for the average over the microscopic activation energies for surface processing. An additional term accounting for the existence of fluctuations in the fractions of particles has to be taken into account. In all cases considered, the additional term can be accurately estimated by a posteriori analysis of the temperature dependence of the surface densities. In addition, we demonstrate that the relative contribution of the different competing microscopic processes to the macroscopic activation energy can be accurately obtained during the simulations, allowing for the unambiguous identification of the particular surface species which effectively control the process. As an example of the nonequilibrium open interfaces to which the results apply, the case of wet chemical etching of crystalline silicon is considered. The results can be directly applied to surface growth.

AB - Realistic Monte Carlo simulations show that the apparent macroscopic activation energy is only partially explained by the expected expression for the average over the microscopic activation energies for surface processing. An additional term accounting for the existence of fluctuations in the fractions of particles has to be taken into account. In all cases considered, the additional term can be accurately estimated by a posteriori analysis of the temperature dependence of the surface densities. In addition, we demonstrate that the relative contribution of the different competing microscopic processes to the macroscopic activation energy can be accurately obtained during the simulations, allowing for the unambiguous identification of the particular surface species which effectively control the process. As an example of the nonequilibrium open interfaces to which the results apply, the case of wet chemical etching of crystalline silicon is considered. The results can be directly applied to surface growth.

KW - anisotropic wet chemical etching

KW - atomistic simulations

KW - crystalline silicon

KW - Monte Carlo

KW - non-equilibrium surface processing

KW - steady state

KW - anisotropic wet chemical etching

KW - atomistic simulations

KW - crystalline silicon

KW - Monte Carlo

KW - non-equilibrium surface processing

KW - steady state

KW - anisotropic wet chemical etching

KW - atomistic simulations

KW - crystalline silicon

KW - Monte Carlo

KW - non-equilibrium surface processing

KW - steady state

U2 - 10.1103/PhysRevE.68.031604

DO - 10.1103/PhysRevE.68.031604

M3 - Article

VL - 68

SP - 1

EP - 16

JO - Physical Review E

JF - Physical Review E

SN - 2470-0045

IS - 3

M1 - 031604

ER -

ID: 3491628