Influence of Ti on the dissolution and migration of He in ZrCo based on first principles investigation

Author:

Wang Qingqing1234ORCID,Kong Xianggang5674,Han Huilei8234,Sang Ge9104,Zhang Guanghui9104,Yi Yougen111213144,Gao Tao1234

Affiliation:

1. Institute of Atomic and Molecular Physics

2. Sichuan University

3. Chengdu

4. China

5. College of Optoelectronic Technology

6. Chengdu University of Information Technology

7. Chengdu 610225

8. College of Mathematics

9. Science and Technology on Surface Physics and Chemistry Laboratory

10. Jiangyou 621907

11. Hunan Key Laboratory for Super-Microstructure and Ultrafast Process

12. College of Physics and Electronics

13. Central South University

14. Changsha 410083

Abstract

We have performed state-of-the-art ab initio calculations based on density functional theory to study the effect of Ti on helium dissolution and migration in a dilute Ti-doped ZrCo system.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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