Investigation of the dissolution and diffusion properties of interstitial oxygen at grain boundaries in body-centered-cubic iron by the first-principles study-Reference-Cited by-同舟云学术

Investigation of the dissolution and diffusion properties of interstitial oxygen at grain boundaries in body-centered-cubic iron by the first-principles study

Published:2021 Issue:15 Volume:11 Page:8643-8653
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Liu Zhijie¹²³⁴⁵,Zhang Yange⁵⁶⁷⁸⁹,Li Xiangyan⁵⁶⁷⁸⁹,Xu Yichun⁵⁶⁷⁸⁹,Wu Xuebang⁵⁶⁷⁸⁹,Liu Changsong⁵⁶⁷⁸⁹,Kong Xiangshan¹⁰¹¹¹²¹³⁴,Yao Cunfeng¹⁴⁸¹⁵¹⁶,Wang Zhiguang¹⁴⁸¹⁵¹⁶

Affiliation:

1. Institutes of Physical Science and Information Technology

2. Anhui University

3. Hefei 230601

4. China

5. Key Laboratory of Materials Physics

6. Institute of Solid State Physics

7. HFIPS

8. Chinese Academy of Sciences

9. Hefei 230031

10. Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials

11. Ministry of Education

12. Shandong University

13. Jinan

14. Institute of Modern Physics

15. Lanzhou 730000

16. P. R. China

Abstract

Oxygen atoms prefer to segregate to grain boundaries (2/2′). They segregate to Σ3〈110〉(111) with low energy barrier, but concentrate at the transition region of Σ5〈001〉(310) due to high energy barrier. They diffuse in grain boundaries (3/3′) more than in bulk (1/1′).

Funder

National Natural Science Foundation of China

National Basic Research Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/RA/D1RA00367D

Reference41 articles.

1. Influence of temperature on the interaction mode of T91 and AISI 316L steels with Pb–Bi melt saturated by oxygen

2. A Porous Reactor for Supercritical Water Oxidation: Experimental Results on Salty Compounds and Corrosive Solvents Oxidation