Thin-film nucleation through molecular cluster beam deposition: Comparison of tight-binding and many-body empirical potential molecular dynamics simulations

Yanhong Hu, Sanguo Shen, Lei Liu, Chakram S. Jayanthi, Shi Yu Wu, Susan B. Sinnott

Research output: Contribution to journalArticle

12 Scopus citations

Abstract

The chemical products of moleuclar ethylene-cluster beam deposition on diamond substrates were investigated at room temperature using molecular dynamic simulations. Hydrogen-terminated diamond surfaces of varying sizes served as substrates for the experiments. The results of two approaches based on an empirical reactive empirical bond-order hydrocarbon potential and an order N nonorthogonal tight-binding method were compared. The similarities, differences, limitations and advantages of the two approaches were analyzed.

Original languageEnglish (US)
Pages (from-to)6738-6744
Number of pages7
JournalJournal of Chemical Physics
Volume116
Issue number15
DOIs
StatePublished - Apr 15 2002

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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