Surface self diffusion at high temperatures: New simulational insights

I. I. Suni; E. G. Seebauer

doi:10.1016/0040-6090(95)06949-6

Surface self diffusion at high temperatures: New simulational insights

I. I. Suni, E. G. Seebauer

Chemical and Biomolecular Engineering

Research output: Contribution to journal › Article › peer-review

Abstract

Surface self diffusion has been simulated using both Lennard-Jones and Stillinger-Weber potentials in order to explain why experimental activation energies and pre-exponential factors increase greatly at large fractions of the substrate melting point. With both potentials, these effects are observed clearly in simulations and are caused by the proliferation of adatom-vacancy pairs at these temperatures. At the very highest temperatures near melting, the activation energy and prefactor decrease again as the diffusion becomes liquid like.

Original language	English (US)
Pages (from-to)	229-234
Number of pages	6
Journal	Thin Solid Films
Volume	272
Issue number	2
DOIs	https://doi.org/10.1016/0040-6090(95)06949-6
State	Published - Jan 15 1996

Keywords

Surface defects
Surface diffusion
Surface melting

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Surfaces and Interfaces
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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10.1016/0040-6090(95)06949-6

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AU - Seebauer, E. G.

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N2 - Surface self diffusion has been simulated using both Lennard-Jones and Stillinger-Weber potentials in order to explain why experimental activation energies and pre-exponential factors increase greatly at large fractions of the substrate melting point. With both potentials, these effects are observed clearly in simulations and are caused by the proliferation of adatom-vacancy pairs at these temperatures. At the very highest temperatures near melting, the activation energy and prefactor decrease again as the diffusion becomes liquid like.

AB - Surface self diffusion has been simulated using both Lennard-Jones and Stillinger-Weber potentials in order to explain why experimental activation energies and pre-exponential factors increase greatly at large fractions of the substrate melting point. With both potentials, these effects are observed clearly in simulations and are caused by the proliferation of adatom-vacancy pairs at these temperatures. At the very highest temperatures near melting, the activation energy and prefactor decrease again as the diffusion becomes liquid like.

KW - Surface defects

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KW - Surface melting

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Surface self diffusion at high temperatures: New simulational insights

Abstract

Keywords

ASJC Scopus subject areas

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