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Updated: May 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
Phase stability, mechanical property, and electronic structure of an Mg-Ca system
1State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083, China.
Abstract:
First principle calculations reveal that Mg-Ca phases are energetically favorable with negative heats of formation within the entire composition range, and that a strong chemical bonding is formed between Mg and Ca atoms. Calculations also show that the composition has an important effect on mechanical properties of Mg-Ca, and that the Mg-Ca phases with an Mg composition of less than 50 at.% would be good candidates as degradable bone materials in terms of Young's modulus and ductility. In addition, it is found out that Mg(3)Ca, MgCa and MgCa(3) have phase sequences of BCC→HCP, BCC→HCP and FCC→HCP under high pressure, respectively, and that Ca plays a dominant role in determining the electronic structures and stable crystal structures of various Mg-Ca phases.
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