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Molecular Dynamics Simulation of MgO Melting at High Pressure

Molecular Dynamics Simulation of MgO Melting at High Pressure
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摘要 Molecular dynamics simulation was used to study the melting of MgO at high pressures. The melting temperature of MgO was accurately obtained at elevated temperature and high pressure after corrections based on the modern theory of melting. The calculated melting curve was compared with the available experimental data and other theoretical results at the pressure range of 0-135 GPa. The corrected melting temperature of MgO is in good agreement with the results from Lindemann melting equation and the two- phase simulated results below 15 GPa.
机构地区 Department of Physics
出处 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第4期315-318,共4页 化学物理学报(英文)
关键词 Melting temperature Molecular dynamics simulation High pressure 熔化温度 分子动力学模拟 高压
分类号 O [理学]
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