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作者:

Wei, Jun (Wei, Jun.) | Song, Xiaoyan (Song, Xiaoyan.) (学者:宋晓艳) | Huang, Chuan (Huang, Chuan.) | Xu, Wenwu (Xu, Wenwu.) | Han, Qingchao (Han, Qingchao.)

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摘要:

A hybrid thermodynamic/Cellular Automaton (CA) model was developed by introducing the thermodynamic functions of the nanocrystalline metals into the CA simulation algorithm The Gibbs free energy of the nanocrystalline material is the sum of the energies of the nanograin boundaries and the nanograin interior, with the grain-boundary atom fraction denoting the ratio of the different contributions. The change of the Gibbs free energy of the material system was used as the criterion for modeling the microstructure evolution. The nanograin growth with the temperature was simulated using the hybrid model, and the grain growth kinetics of the nanocrystalline metals were predicted. The simulation result that the rapid discontinuous grain growth takes place in a temperature range of 800-900 K in the nanocrystalline Cu was consistent with the experimental investigations on the temperature-varying grain growth behavior of nanocrystalline Cu. The hybrid model is applicable to predictions on the thermal stability of the nanocrystalline metals.

关键词:

Cellular Automaton Grain Growth Nanocrystalline Nanograin Boundaries Nanoscale Thermodynamics

作者机构:

  • [ 1 ] [Wei, Jun]Beijing Univ Technol, Chinese Educ Minist, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Song, Xiaoyan]Beijing Univ Technol, Chinese Educ Minist, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Huang, Chuan]Beijing Univ Technol, Chinese Educ Minist, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Xu, Wenwu]Beijing Univ Technol, Chinese Educ Minist, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Han, Qingchao]Beijing Univ Technol, Chinese Educ Minist, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

通讯作者信息:

  • 宋晓艳

    [Song, Xiaoyan]Beijing Univ Technol, Chinese Educ Minist, Key Lab Adv Funct Mat, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

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来源 :

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE

ISSN: 1546-1955

年份: 2010

期: 1

卷: 7

页码: 218-223

ESI学科: MATERIALS SCIENCE;

JCR分区:3

中科院分区:4

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