Mechanical properties and hydrogen diffusion behaviors of metal hydrides from molecular dynamics simulations

Yu, Feifei; Xiang, Xia; Xu, Canhui; Zu, Xiaotao; Hu, Shuanglin

doi:10.1016/j.ijhydene.2024.07.331

International Journal of Hydrogen Energy

2024

DOI: 10.1016/j.ijhydene.2024.07.331

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Mechanical properties and hydrogen diffusion behaviors of metal hydrides from molecular dynamics simulations

Feifei Yu,

Xia Xiang,

Canhui Xu

et al.

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First-principles calculations of phase stability, electronic structure, mechanical properties and thermal conductivities of TMH2 (TM=V, Nb, Ta) metal hydrides

Lei,

Yang,

Zhou

et al. 2024

Materials Today Communications

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First-principles calculations of phase stability, electronic structure, mechanical properties and thermal conductivities of TMH2 (TM=V, Nb, Ta) metal hydrides

Lei,

Yang,

Zhou

et al. 2024

Materials Today Communications

View full text Add to dashboard Cite

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Mechanical properties and hydrogen diffusion behaviors of metal hydrides from molecular dynamics simulations

Cited by 1 publication

References 65 publications

First-principles calculations of phase stability, electronic structure, mechanical properties and thermal conductivities of TMH2 (TM=V, Nb, Ta) metal hydrides

First-principles calculations of phase stability, electronic structure, mechanical properties and thermal conductivities of TMH2 (TM=V, Nb, Ta) metal hydrides

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