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ye tai jin shu li de biao mian zhang li ji qi wen du dao shu ji suan
Author(s): 
Pages: 134-139
Year: Issue:  2
Journal: Chinese Journal of Theoretical and Applied Mechanics

Keyword:  表面张力液态金属Li密度泛函理论;
Abstract: 本文用梯度近似下的密度泛函理论计算了液态金属Li的表面张力及其温度导数,本文提出了一种确定四个计算参数的新方法,即由液体在熔点和零压下的等温压缩系数与密度的实验值以及定义式η=π/6σ3n和极值条件dF/dη=0来联立求解赝势参数,,刚球直径σ和刚球填充分数η四个待定参数,计算的表面张力及其温度导数与实验值符合较好。
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