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首页> 外文期刊>Physical Review, B. Condensed Matter >Ab initio analysis of energetics of sigma-phase formation in Cr-based systems - art. no. 174104
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Ab initio analysis of energetics of sigma-phase formation in Cr-based systems - art. no. 174104

机译:从头算分析Cr基体系中sigma相形成的能量学-艺术。没有。 174104

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A theoretical approach to the explanation of experimentally determined positive enthalpy of formation in Cr-based sigma phases is presented. It turns out that the energy of formation of sigma phases in Cr-Co and Cr-Fe systems is found to be negative taking the pure components in the sigma -phase structure as the standard states. Our treatment represents a first step to a model of an explanation of the stability of the sigma phase. [References: 21]
机译:提出了一种理论方法来解释实验确定的基于Cr的σ相的正焓。事实证明,以σ-相结构中的纯组分为标准态,发现Cr-Co和Cr-Fe系统中σ相的形成能量为负。我们的治疗代表了sigma相稳定性解释模型的第一步。 [参考:21]

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