Influence of film thickness and surface orientation on melting behaviors of copper nanofilms

Ming Liang Liao, I-Ling Chang, Fu Rong Chang

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

The effects of film thickness and surface orientation on melting behaviors of copper nanofilms were investigated by molecular dynamics simulations. A stepwise heating scheme was adopted to make sure that the nanofilms reached thermal equilibrium before further temperature increase. Melting of the nanofilms was monitored by examining the equilibrium potential energy, radial distribution function, and mean square displacement of the simulated nanofilms. From the simulation, the melting was observed to occur at a specific temperature within 1 K error, unlike the progressive melting process reported in the literature. The melted temperature and the latent heat of fusion of the nanofilms were found to increase with film thickness and approach the bulk value. The nanofilms with (111) surface have the highest melted temperature and the largest latent heat of fusion as compared to the ones with (001) and (011) surfaces, which could be explained by the lowest surface energy of (111) surface.

Original languageEnglish
Pages (from-to)535-541
Number of pages7
JournalJournal of Materials Research
Volume29
Issue number4
DOIs
Publication statusPublished - 2014 Feb 28

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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