Molecular Dynamics Simulation on Liquid Nucleation in Ideal Silicon Crystal upon Melting

Abstract:

Liquid nucleation in an ideal silicon crystal is studied in the framework of Lindemann criteria by using molecular dynamics simulations. Lindemann parameter is traced during the transition. It is found that when Lindemann parameter reaches a critical value δ_L*=0.328, liquid emerges, and when 9.4% atoms in the crystal exceeds the critical value, a complete melting is achieved.

• Periodical: Advanced Materials Research (Volume 1081)
• Pages: 327-331
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.1081.327
• Online since: December 2014
• Authors: Shi Liang Zhang*, Wei Gao
• Keywords: Liquid Nucleation, Melting Criteria, Molecular Dynamics Simulation, Silicon

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