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5. Simulation of high-pressure melting using direct entropy calculation

Simulation of high-pressure melting using direct entropy calculation

来源 :第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna | 被引量 : 0次 | 上传用户：shijunfengmm

【摘 要】

：

First-principles calculation of entropies and free energies for liquids and determination of liquid-solid phase boundaries is a long-standing problem in molecular dynamics and the one that has receive

【作 者】

：

Pavel Levashov Dmitry Minakov 

【机 构】

：

Joint Institute for High Temperatures RAS,Moscow,125412,Russia

【出 处】

：

第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna

【发表日期】

：

2017年10期

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　　First-principles calculation of entropies and free energies for liquids and determination of liquid-solid phase boundaries is a long-standing problem in molecular dynamics and the one that has received considerable attention with a variety of approaches.

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