A1-Si体系亚稳相的第一性原理计算
Journal of Zhoukou Normal University（2011）
Abstract
基于特殊准随机结构模型,采用第一性原理计算对Al-Si亚稳相体系进行了研究,所得结果与实验吻合很好,表明特殊准随机结构模型可以有效地预测固溶体的结构和热力学性质.
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Key words
Al-Si,Structural and thermodynamic properties,SQS,first-principles calculations
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