Structural stability, elasticity, thermodynamics, and electronic structures of L1<sub>2</sub>-type Ni<sub>3</sub>X (X = Al, Ti, V, Nb) phases under external pressure condition.

Wu, Y H; Chen, J S; Ji, J Y; Zhang, Y Z; Wang, Q Z; Xiong, K

Structural stability, elasticity, thermodynamics, and electronic structures of L1₂-type Ni₃X (X = Al, Ti, V, Nb) phases under external pressure condition.

Wu, Y H; Chen, J S; Ji, J Y; Zhang, Y Z; Wang, Q Z; Xiong, K.

Afiliação

Wu YH; School of Materials Engineering, Shanghai University of Engineering Science, Shanghai, People's Republic of China.
Chen JS; School of Materials Engineering, Shanghai University of Engineering Science, Shanghai, People's Republic of China. cjshbb@sjtu.edu.cn.
Ji JY; School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai, People's Republic of China. cjshbb@sjtu.edu.cn.
Zhang YZ; School of Materials Engineering, Shanghai University of Engineering Science, Shanghai, People's Republic of China.
Wang QZ; AECC Commercial Aircraft Engine Manufacturing Co., Ltd, Shanghai, 200241, People's Republic of China.
Xiong K; Shanghai Sany Heavy Machinery Co., Ltd, Shanghai, 200241, People's Republic of China.

J Mol Model ; 28(1): 26, 2022 Jan 03.

Article em En | MEDLINE | ID: mdl-34978641

Palavras-chave

Elastic constants; Electronic structures; First-principles; Ni3X; Thermodynamic

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article