氟化金属中空位形成的热力学

R.B. McLellan, Y.C. Angel
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引用次数: 3

摘要

利用伴随空位形成的原子频率扰动模型,计算了金属中单空位浓度对温度的依赖性。本文还考虑了晶格热膨胀的影响。基于固体准调和模型的计算表明,Al的空位浓度对温度倒数的Arrhenius图将表现出可测量的曲率。在实验空位浓度测定的温度范围内,Cu和Au的空位浓度在这样的图中可以观察到更小的曲率。
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The thermodynamics of vacancy formation in f.c.c. metals

The dependence upon temperature of the monovacancy concentration in metals has been calculated using models for the perturbation of the atomic frequencies accompanying vacancy formation. The effect of the lattice thermal expansion has also been considered. The calculations, based on the quasi-harmonic model for solids, indicate that Arrhenius plots of the vacancy concentration against reciprocal temperature would exhibit a measurable curvature for Al. Much smaller degrees of curvature would be observable in such plots for Cu and Au over the temperature span of experimental vacancy concentration determinations.

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