The melting of a monatomic amorphous surface: A molecular dynamics study

M. R. Mruzik, Steve Garofalini, G. M. Pound

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

A monatomic amorphous surface has been simulated above and below the gradual melting transition using molecular dynamics for atoms interacting through a Lennard-Jones 12-6 potential energy function. Detailed atomic trajectories are presented and averaged to yield diffusion constants and activation energies. Surface melting, which occurs at lower temperatures than for the amorphous bulk and most crystalline surfaces, is described in terms of radial distribution functions, velocity correlations, and vibrational spectra.

Original languageEnglish
Pages (from-to)353-360
Number of pages8
JournalSurface Science
Volume103
Issue number2-3
DOIs
Publication statusPublished - Feb 2 1981

Fingerprint

Molecular dynamics
Melting
melting
molecular dynamics
Potential energy functions
Vibrational spectra
radial distribution
vibrational spectra
Distribution functions
Activation energy
distribution functions
potential energy
Trajectories
trajectories
activation energy
Crystalline materials
Atoms
atoms
Temperature
energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

The melting of a monatomic amorphous surface : A molecular dynamics study. / Mruzik, M. R.; Garofalini, Steve; Pound, G. M.

In: Surface Science, Vol. 103, No. 2-3, 02.02.1981, p. 353-360.

Research output: Contribution to journalArticle

Mruzik, M. R. ; Garofalini, Steve ; Pound, G. M. / The melting of a monatomic amorphous surface : A molecular dynamics study. In: Surface Science. 1981 ; Vol. 103, No. 2-3. pp. 353-360.
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