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Volumn 69, Issue 6 1, 2004, Pages

Liquid-liquid phase transitions for soft-core attractive potentials

Author keywords

[No Author keywords available]

Indexed keywords

COLLOIDS; COMPUTER SIMULATION; CRYSTAL STRUCTURE; DENSITY (SPECIFIC GRAVITY); LIQUID METALS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; PRESSURE EFFECTS; PROTEINS; THERMAL EFFECTS; THERMODYNAMICS; VAN DER WAALS FORCES; VISCOSITY;

EID: 42749102249     PISSN: 15393755     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.69.061206     Document Type: Article
Times cited : (131)

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    • See, for example, the effective interionic pair potentials for Mg, Ca, Sr, and Ba near the melting point, shown in Fig. 1 in J.-F. Wax, R. Albaki, and J.-L. Bretonnet, Phys. Rev. B 62, 14818 (2000).
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    • It must be stressed that the interatomic potentials of liquid metals show very complex behavior including oscillating attractive tail and strong density dependence [see, e.g., X.-P. Li, Phys. Rev. B 41, 8392 (1990); J. Hafner, From Hamiltonians to Phase Diagrams: the Electronic and Statistical-Mechanical Theory of SP-Bonded Metals and Alloy (Springer-Verlag, Berlin, 1987)]. Therefore, the present model cannot be applied to liquid metals directly. Nevertheless, for specific conditions, for example, in Ref. [58], the thermodynamics quantities can be calculated by using effective soft-core potentials. Moreover, it is interesting to note that the important feature of our soft-core potential, a repulsive shoulder, exists for the effective pair potentials of some metals, such as Te, Ba, Al, due to a strong contribution of the noncentral three-particle part of interatomic interaction. This feature of the potential can lead to some anomalies of the liquid properties at compression, which could include liquid-liquid transition in the supercooled state.
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    • note
    • -4 is the heat exchange coefficient that has the dimension of the inverse time unit.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.