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Physical description of the monoclinic phase of zirconia based on the bond-order characteristic of the Tersoff potential
Authors:Run-Sen Zhang  Ji-Dong He  Bing-Shen Wang  Jin-Wu Jiang
Affiliation:1. Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai Institute of Applied Mathematics and Mechanics, School of Mechanics and Engineering Science, Shanghai University, Shanghai 200072, China2. State Key Laboratory of Semiconductor Superlattice and Microstructure and Institute of Semiconductor, Chinese Academy of Sciences, Beijing 100083, China
Abstract:
Keywords:zirconia  ZrO2  empirical potential  molecular dynamics simulation  
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