Effect of adsorption of EAM metal atoms on the structure of a sodium-alumino silicate glass surface: a molecular dynamics simulation

Edmund B. Webb, Steve Garofalini

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The simulation of the deposition of model platinum atoms onto a sodium-alumino silicate glass surface was performed using classical molecular dynamics computer simulations. In order to more accurately simulate adatom/adatom atomic interactions, embedded atom method (EAM) potential functions for Pt were used. Results obtained herein are compared to a previous publication where a Lennard-Jones potential was used for adatom/adatom interactions. Similarities with the previous results were observed in the structural shifts of the NAS glass despite the different potentials for the adsorbate atoms used in this simulation. There is, however, a difference observed between the degree of metal penetration into the glass and the behavior of Na ions during the deposition for the different adatom/adatom potentials.

Original languageEnglish
Pages (from-to)381-393
Number of pages13
JournalSurface Science
Volume319
Issue number3
DOIs
Publication statusPublished - Nov 10 1994

Fingerprint

Silicates
sodium silicates
embedded atom method
Adatoms
adatoms
Molecular dynamics
Metals
Sodium
molecular dynamics
Adsorption
Glass
Atoms
adsorption
glass
Computer simulation
metals
atoms
simulation
Lennard-Jones potential
atomic interactions

ASJC Scopus subject areas

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

Cite this

Effect of adsorption of EAM metal atoms on the structure of a sodium-alumino silicate glass surface : a molecular dynamics simulation. / Webb, Edmund B.; Garofalini, Steve.

In: Surface Science, Vol. 319, No. 3, 10.11.1994, p. 381-393.

Research output: Contribution to journalArticle

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