The commensurate-incommensurate transition of krypton on graphite: A study via computer simulation

S. W. Koch; W. E. Rudge; F. F. Abraham

doi:10.1016/0039-6028(84)90086-4

The commensurate-incommensurate transition of krypton on graphite: A study via computer simulation

S. W. Koch, W. E. Rudge, F. F. Abraham

Optical Sciences, College of

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

20 Scopus citations

Abstract

The commensurate-incommensurate transition of a system of 20,736 krypton atoms on a graphite surface is studied by molecular dynamics computer simulations. The weakly incommensurate phase consisting of commensurate regions separated by a network of incommensurate domain walls is investigated at various temperatures and coverages. At low temperatures a honeycomb structure is observed. For increasing temperatures, the domain walls are found to fluctuate more and more out of the symmetry directions. They broaden considerably and show increasing surface roughness.

Original language	English (US)
Pages (from-to)	329-344
Number of pages	16
Journal	Surface Science
Volume	145
Issue number	2-3
DOIs	https://doi.org/10.1016/0039-6028(84)90086-4
State	Published - Oct 1 1984

ASJC Scopus subject areas

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

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AB - The commensurate-incommensurate transition of a system of 20,736 krypton atoms on a graphite surface is studied by molecular dynamics computer simulations. The weakly incommensurate phase consisting of commensurate regions separated by a network of incommensurate domain walls is investigated at various temperatures and coverages. At low temperatures a honeycomb structure is observed. For increasing temperatures, the domain walls are found to fluctuate more and more out of the symmetry directions. They broaden considerably and show increasing surface roughness.

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