Entropy of a model for liquid Ga: Contribution due to Friedel oscillations
Entropy of a model for liquid Ga: Contribution due to Friedel oscillations
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液态 Ga 模型的熵：弗里德尔振荡的贡献
DOI：
10.1016/j.cpc.2010.07.014
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发表时间：
2011
期刊：
影响因子：
--
通讯作者：
Ten
中科院分区：
文献类型：
--
作者：
K. Tsai;Ten
根据具有软排斥核和长程Friedel振荡的原子间对势能，我们最近重现了略高于熔点的液态Ga的反常结构和动力学性质。本文通过数值模拟和硬球微扰理论分别对模型和相应的排斥核进行了计算，研究了Friedel振荡对模型流体超额熵的贡献。对于两种模型流体，还给出了双关联和剩余多粒子熵的密度变化。
In terms of an interatomic pair potential, possessing a soft repulsive core and the long-range Friedel oscillations, we have recently reproduced the anomalous structures and dynamic properties of liquid Ga just above the melting point. In this paper, evaluating separately for the model and the corresponding repulsive core by numerical simulation and the hard-sphere perturbation theory, we investigate the contribution due to the Friedel oscillations to the excess entropy of the model fluid. For the two model fluids, the density variations of the pair-correlation and residual-multiparticle entropies are also presented.