Concentration Dependence of Molar Volume of Binary Si Alloys in Liquid State
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Ab initio simulations of liquid systems: Concentration dependence of the electric conductivity of NaSn alloys
Liquid NaSn alloys in five different compositions (20, 40, 50, 57 and 80% sodium) are studied using density functional calculations combined with molecular dynamics (Car-Parrinello method). The frequency-dependent electric conductivities for the systems are calculated by means of the Kubo-Greenwood formula. The extrapolated DC conductivities are in good agreement with the experimental data and ...
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ژورنال
عنوان ژورنال: ISIJ International
سال: 2014
ISSN: 0915-1559,1347-5460
DOI: 10.2355/isijinternational.54.2120