TY - JOUR
T1 - Entropy of a model for liquid Ga
T2 - Contribution due to Friedel oscillations
AU - Tsai, K. H.
AU - Wu, Ten-Ming
PY - 2011/1/1
Y1 - 2011/1/1
N2 - 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.
AB - 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.
KW - Excess entropy
KW - Friedel oscillations
KW - Liquid Ga
UR - http://www.scopus.com/inward/record.url?scp=78149361855&partnerID=8YFLogxK
U2 - 10.1016/j.cpc.2010.07.014
DO - 10.1016/j.cpc.2010.07.014
M3 - Article
AN - SCOPUS:78149361855
SN - 0010-4655
VL - 182
SP - 62
EP - 64
JO - Computer Physics Communications
JF - Computer Physics Communications
IS - 1
ER -