The study of textured polycrystalline nanofilms using molecular simulation

研究成果: Article

摘要

The elastic properties of textured polycrystalline nanofilms with fixed out-of-plane normal direction were investigated using molecular dynamics method. The parallel computing technique was employed to increase the computational efficiency. Both the grain size and film thickness effects on the elastic properties of the copper nanofilm were examined. It is shown from the simulation that the elastic properties (i.e., Young's modulus and Poisson's ratio) of textured polycrystalline nanofilms depend on the grain size and the film thickness. As the grain size of the nanofilm become larger, the Young's modulus increase but the Poisson's ratio decreases. Moreover, as the thickness of the nanofilm increases, the Young's modulus increase.

原文English
頁(從 - 到)196-199
頁數4
期刊Advanced Science Letters
12
DOIs
出版狀態Published - 2012 六月 1

指紋

Molecular Simulation
Elastic Modulus
Young modulus
elastic property
Young's Modulus
Elastic Properties
Grain Size
agricultural product
grain size
Poisson's Ratio
Elastic moduli
Poisson ratio
simulation
Film thickness
parallel computing
Molecular Dynamics Simulation
Parallel processing systems
Parallel Computing
Computational efficiency
Molecular Dynamics

All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Health(social science)
  • Mathematics(all)
  • Education
  • Environmental Science(all)
  • Engineering(all)
  • Energy(all)

引用此文

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AB - The elastic properties of textured polycrystalline nanofilms with fixed out-of-plane normal direction were investigated using molecular dynamics method. The parallel computing technique was employed to increase the computational efficiency. Both the grain size and film thickness effects on the elastic properties of the copper nanofilm were examined. It is shown from the simulation that the elastic properties (i.e., Young's modulus and Poisson's ratio) of textured polycrystalline nanofilms depend on the grain size and the film thickness. As the grain size of the nanofilm become larger, the Young's modulus increase but the Poisson's ratio decreases. Moreover, as the thickness of the nanofilm increases, the Young's modulus increase.

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