Molecular dynamics study of the static structure of liquid Na-K alloys

Wax JF

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Molecular dynamics study of the static structure of liquid Na-K alloys

机译：液态Na-K合金静态结构的分子动力学研究

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Liquid Na-K alloys are studied by molecular dynamics simulations. The interatomic interactions are described from Fiolhais' pseudo potential. The evolution with the composition of the static structure, as well as the isothermal compressibility and the self- and inter-diffusion properties is discussed. Deviation from the behaviour of an ideal mixture is observed and small homocoordination tendencies are highlighted.

机译：通过分子动力学模拟研究了液态Na-K合金。原子间相互作用是从Fiolhais的假电位来描述的。讨论了静态结构的组成演变，等温压缩性以及自扩散和互扩散特性。观察到偏离理想混合物的行为，并强调了小的均配趋势。

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《Physica, B. Condensed Matter》 |2008年第24期|共8页
作者
Wax JF;
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正文语种 eng
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关键词
Liquid alloy; Simulation; Structure; Diffusion; Thermodynamics;

机译：液态合金;模拟;结构;扩散;热力学;

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Molecular dynamics study of the static structure of liquid Na-K alloys

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