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Updated: Aug 24, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Concentrated point defects in and order-disorder transition temperature of intermetallic compounds
1Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016, China. qmhu@imr.ac.cn
Abstract:
In this Letter, a scheme that combines first-principles methods, statistical mechanics, and a self-consistent procedure is presented to evaluate the point defect concentrations in intermetallic compounds. The obtained point defect concentrations can be further used to predict the order-disorder transformation temperature.
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