Assessing r2SCAN meta-GGA functional for structural parameters, cohesive energy, mechanical modulus and thermophysical properties of 3d, 4d and 5d transition metals

被引：0

作者：

Liu, Haoliang ^{[1
]}

Bai, Xue ^{[2
]}

Ning, Jingliang ^{[3
]}

Hou, Yuxuan ^{[1
]}

Song, Zifeng ^{[1
]}

Ramasamy, Akilan ^{[3
]}

Zhang, Ruiqi ^{[3
]}

Li, Yefei ^{[2
]}

Sun, Jianwei ^{[3
]}

Xiao, Bing ^{[1
]}

机构：

[1] State Key Laboratory of Electric Insulation and Power Equipment, School of Electrical Engineering, Xi'an Jiaotong University, Xi'An,710049, China

[2] State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'An,710049, China

[3] Department of Physics and Engineering Physics, Tulane University, New Orleans, United States

来源：

arXiv | 2023年

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摘要：

Biomechanics - Computation theory - Density (specific gravity) - Lattice constants - Local density approximation - Metal complexes - Precious metal compounds - Refractory metal compounds - Temperature distribution - Thermal expansion

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