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Melting kinetics of bulk SiC using molecular dynamics simulation 被引量:2

Melting kinetics of bulk SiC using molecular dynamics simulation
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摘要 The melting kinetics of bulk SiC is studied by using classical molecular dynamics simulation.The mean square displacement,diffusion coefficient,Lindemann index and non-Gaussian parameter are used to analyze the melt nucleation and macrokinetics in the melting process.Melting occurs when the superheated crystal spontaneously generates many Lindemann particles in which they coalesce together to form melt nucleation inside the crystal.The melting process is similar to the solidification process,but also experiences three processes such as nucleation,growth and relaxation.The melting process can be divided into premelting,accelerated melting and relaxation stages.Using the sectional method can properly reflect the kinetic characteristics of the melting process. The melting kinetics of bulk SiC is studied by using classical molecular dynamics simulation.The mean square displacement,diffusion coefficient,Lindemann index and non-Gaussian parameter are used to analyze the melt nucleation and macrokinetics in the melting process.Melting occurs when the superheated crystal spontaneously generates many Lindemann particles in which they coalesce together to form melt nucleation inside the crystal.The melting process is similar to the solidification process,but also experiences three processes such as nucleation,growth and relaxation.The melting process can be divided into premelting,accelerated melting and relaxation stages.Using the sectional method can properly reflect the kinetic characteristics of the melting process.
出处 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2013年第9期1699-1704,共6页 中国科学:物理学、力学、天文学(英文版)
基金 supported by the National Natural Science Foundation of China (Grant No.61264004) the Special Funds for International Cooperation of the Ministry of Science and Technology of China (Grant No.2008DFA52210) the Key Technologies Research and Development Project of Guizhou Province (Grant No.[2011]3015) the Special Funds for Construction of Sci-Tech Innovative Talents Team of Guizhou Province (Grant No.[2011]4002) the Funds for International Sci-Tech Cooperation of Guizhou Province (Grant no.[2012]7004)
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