THE STRUCTURAL AND DYNAMICAL LIQUID-GLASS TRANSITION FOR METALLIC SODIUM

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题名:	THE STRUCTURAL AND DYNAMICAL LIQUID-GLASS TRANSITION FOR METALLIC SODIUM
作者:	LAI,SK;CHEN,HC
贡献者:	物理研究所
关键词:	LENNARD-JONES SYSTEM;MODE-COUPLING THEORY;SUPERCOOLED LIQUIDS;BETA-RELAXATION;MOLECULAR-DYNAMICS;ALPHA-RELAXATION;LIGHT-SCATTERING;COMPUTER;NEUTRON;REGION
日期:	1993
上传时间:	2010-07-08 14:12:37 (UTC+8)
出版者:	中央大學
摘要:	We perform a molecular-dynamics simulation for the liquid metal sodium with the intention to study the glass transition temperature. Using the same set of liquid-->glass structure factors, this is done (a) structurally by calculating the Wendt-Abraham parameter and (b) dynamically by solving the non-linear integral equation embodied in the mode-coupling theory. It is found that the glass transition temperature obtained from the former is distinctly lower than that from the latter. In an attempt to explain such a difference in the glass transition temperature, we draw attention to some recent works on shear viscosity coefficients and analyse the latter results in light of the basic hypothesis of the mode-coupling formulation. It appears that the glass transition point obtained in the context of mode-coupling theory for metallic sodium is reasonably predicted, and that the Wendt-Abraham glass transition point, determined directly from the structure data, seems numerically closer to the calorimetric glass transition temperature. Also, we compare the metallic non-ergodicity form factor obtained from the present molecular-dynamics simulation with the corresponding asymptotic formula proposed in the mode-coupling theory, and they are found to agree reasonably well with each other. The effect of the pair potential on the non-ergodicity form factor is also discussed briefly for both the hard-sphere and the metallic systems.
關聯:	JOURNAL OF PHYSICS-CONDENSED MATTER
显示于类别:	[物理研究所] 期刊論文

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