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Entropy of a model for liquid Ga: Contribution due to Friedel oscillations

机译:液体Ga模型的熵:由于Friedel振荡引起的贡献

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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.
机译:就具有软排斥核和远距离弗里德尔振荡的原子对势而言,我们最近再现了刚好在熔点以上的液体Ga的异常结构和动力学性质。在本文中,通过数值模拟和硬球微扰理论分别评估了模型和相应的排斥核,我们研究了Friedel振荡对模型流体的超熵的贡献。对于这两种模型流体,还给出了对相关和残余多粒子熵的密度变化。

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