First-principles investigations of He-vacancy-interstitial cluster in fcc Nickel

Published: 24 November 2023| Version 2 | DOI: 10.17632/67jk7dtbw2.2
Contributor:
Guiyang Huang

Description

The structure of vacancy cluster (void, sft and triangle plate on {111} plane, interstitial cluster In, Hen, HenV, HenV2 cluster. The appendix contains the details and discussion of the calculations and calculations results, which should be useful for some readers.

Files

Steps to reproduce

The sturctures have be relaxed using VASP.

Institutions

Sichuan University

Categories

Vacancy, Nickel, Ab Initio Calculation, Interstitial Defect, Helium Bubble

Funding

This work was supported by the Science Specialty Program of Sichuan University (No. 2020SCUNL210 ).

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