Molecular dynamics simulation of platinum particles between graphite walls

Steven Y. Liem, Kwong Yu Chan, Robert F. Savinell

    Research output: Contribution to journalArticlepeer-review

    Abstract

    We report preliminary molecular dynamics simulations results for platinum atoms confined between two parallel graphite surfaces. The system shows phase transition characteristics corresponding to a second order transition. Significant structural changes are also observed in the range of temperature studied. We have also investigated the effects of two different Pt-wall interaction potentials: the 9-3 form suggested by Crowell and the 10-4 form originally proposed by Steele. The results show that the two systems have rather different structural characteristics but similar thermodynamic behaviour.
    Original languageEnglish
    Pages (from-to)47-60
    Number of pages13
    JournalMOLECULAR SIMULATION
    Volume13
    Issue number1
    Publication statusPublished - 1994

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