CELLULAR AUTOMATON SIMULATION STUDY ON NANOGRAIN GROWTH BASED ON THERMODYNAMIC FUNCTIONS OF NANOCRYSTALLINE

Acta Metall Sin

2008, Vol. 44

Issue (4): 495-500 DOI:

Research Articles

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CELLULAR AUTOMATON SIMULATION STUDY ON NANOGRAIN GROWTH BASED ON THERMODYNAMIC FUNCTIONS OF NANOCRYSTALLINE

;Xiaoyan SONG;;

北京工业大学

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Xiaoyan SONG. CELLULAR AUTOMATON SIMULATION STUDY ON NANOGRAIN GROWTH BASED ON THERMODYNAMIC FUNCTIONS OF NANOCRYSTALLINE. Acta Metall Sin, 2008, 44(4): 495-500 .

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Abstract Materials modeling and simulation have been widely used in studies on microstructure evolutions of conventional polycrystalline materials, but very few reports for uses in nanocrystalline materials. Based on our previous analytical model that describes the thermodynamic functions of nanograin boundaries (X.Song, J.Zhang, L.Li, et al, Acta Mater. 2006, 54(20), 5541-5550), the thermodynamic features of nanograin boundaries were introduced into the Cellular Automaton algorithm. With the hybrid model, the quantitative and visual simulations of nanograin growth have been carried out in this article. The simulation results show that the nanograin growth kinetics is different from the normal grain growth behavior in conventional polycrystalline materials. The nanograin growth exponent, n, is not a constant as in the polycrystalline metals which equals 2, but changes with the growing process, which has a range of 1.706.59. The excess free energy of the nanograin boundaries is the driving force for nanograin growth, which is closely related with the grain size. The simulation studies prove that the thermodynamic features of nanograin boundaries strongly affect the energy state of the nanocrystalline materials hence the nanograin growth kinetics, as a result of the nanoscale effect. It is considered by the authors that the simulations of nanograin growth should take into account the thermodynamic features of nanocrystalline materials.

Key words: nanocrystalline materials nanograin growth Cellular Automaton simulation thermodynamics

Received: 02 August 2007

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