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

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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

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ASJC Scopus subject areas

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

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