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首页> 外文期刊>Physical review, B >Thermal vacancies in random alloys in the single-site mean-field approximation
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Thermal vacancies in random alloys in the single-site mean-field approximation

机译:单点平均场近似中无规合金中的热空位

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摘要

A formalism for the vacancy formation energies in random alloys within the single-site mean-filed approximation, where vacancy-vacancy interaction is neglected, is outlined. It is shown that the alloy configurational entropy can substantially reduce the concentration of vacancies at high temperatures. The energetics of vacancies in random Cu0.5Ni0.5 alloy is considered as a numerical example illustrating the developed formalism. It is shown that the effective formation energy increases with temperature, however, in this particular system it is still below the mean value of the vacancy formation energy, which would correspond to the vacancy formation energy in a homogeneous model of a random alloy, such as given by the coherent potential approximation.
机译:概述了单位均值近似中随机合金中空位形成能的形式,其中空位-空位相互作用被忽略。结果表明,合金的结构熵可以显着降低高温下空位的浓度。随机Cu0.5Ni0.5合金中空位的能量学被认为是说明已发展形式主义的数值例子。结果表明,有效形成能随温度增加,但是,在该特定系统中,有效形成能仍低于空位形成能的平均值,该平均值将对应于无规合金(例如,合金)的均质模型中的空位形成能。由相干势近似给出。

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