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Abstract:
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.
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JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
ISSN: 1546-1955
Year: 2010
Issue: 1
Volume: 7
Page: 218-223
ESI Discipline: MATERIALS SCIENCE;
JCR Journal Grade:3
CAS Journal Grade:4
Cited Count:
WoS CC Cited Count: 0
SCOPUS Cited Count:
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 7
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