期刊论文

Ma, R

英文

Materials Today Communications

2352-4928

2023

35

105929

10.1016/j.mtcomm.2023.105929

CRediT authorship contribution statement Zhian Song: Methodology, Validation, Writing–original draft, Investigation. Jindou Ru: Methodology, Investigation, Validation. Rui Ma: Project administration, acquisition, Writing - review & editing. Mingpan Wan: acquisition, Project administration. Juan Zhou: acquisition. Quan Xie: Supervision.

本校为其他机构

This study investigates the dissolution and diffusion of H atom in TiCrTaV of two body-centered cubic (BCC) high-entropy alloys and their effects on the mechanical properties and electronic structure of the alloys by first-principles calculations. Results show that the solution energy of H atom and local lattice distortion vary depending on the local environment. Meanwhile, the site occupancy of H atoms in tetrahedral interstitials are slightly advantageous in the two structures. Diffusion of H also presents a sluggish effect. The dramatic increases and decreases of diffusion barrier disrupted...