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

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

研究成果: Article

3 引文 (Scopus)

摘要

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.

原文English
頁(從 - 到)535-541
頁數7
期刊Journal of Materials Research
29
發行號4
DOIs
出版狀態Published - 2014 二月 28

指紋

Film thickness
Copper
Melting
film thickness
melting
heat of fusion
copper
Latent heat
Fusion reactions
Temperature
Potential energy
Interfacial energy
radial distribution
surface energy
Distribution functions
temperature
Molecular dynamics
simulation
distribution functions
potential energy

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

引用此文

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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.",
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Influence of film thickness and surface orientation on melting behaviors of copper nanofilms. / Liao, Ming Liang; Chang, I-Ling; Chang, Fu Rong.

於: Journal of Materials Research, 卷 29, 編號 4, 28.02.2014, p. 535-541.

研究成果: Article

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