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含能材料  2009 

L-J、Exp-6两种形式势能函数对计算无量纲第二维里系数的影响

DOI: 10.3969/j.issn.1006-9941.2009.05.018

Keywords: 统计物理学,势能函数,维里系数,状态方程

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Abstract:

为考察势能函数形式(L-J、Exp-6)对计算无量纲第二维里系数B*(T*)的影响,采用变步长辛卜生(Simpson)求积法近似计算了两种形式势能函数下的B*(T*)。计算结果与文献值十分吻合,证明了本文计算方法的有效性。通过比较由L-J势能函数计算的B*(T*)L-J与由Exp-6势能函数计算的B*(T*)Exp-6,获得了其差值随T*的变化规律;在爆轰环境条件下,T*在25~40之间,B*(T*)L-J与B*(T*)Exp-6具有较大差异。

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