High hydrogen isotopes permeation resistance in (TiVAlCrZr)O multi-component metal oxide glass coating

被引：19

作者：

Hu, Lulu ^{[1
,2
]}

Zhong, Fen ^{[1
,2
]}

Zhang, Jun ^{[3
]}

Zhao, Shijun ^{[3
]}

Wang, Yongqiang ^{[3
,4
]}

Cai, Guangxu ^{[1
,2
]}

Cheng, Tao ^{[1
,2
]}

Wei, Guo ^{[1
,2
]}

Jia, Shuangfeng ^{[5
,6
]}

Zhang, Dongxun ^{[7
]}

Yin, Ran ^{[1
,2
]}

Chen, Zhiquan ^{[1
,2
]}

Jiang, Changzhong ^{[1
,2
]}

Ren, Feng ^{[1
,2
,5
]}

机构：

[1] Wuhan Univ, Sch Phys & Technol, Wuhan 430072, Peoples R China

[2] Wuhan Univ, Hubei Nucl Solid Phys Key Lab, Wuhan 430072, Peoples R China

[3] City Univ Hong Kong, Dept Mech Engn, Hong Kong, Peoples R China

[4] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA

[5] Wuhan Univ, Ctr Electron Microscopy, MOE Key Lab Artificial Microand Nanostruct, Wuhan 430072, Peoples R China

[6] Wuhan Univ, MOE Key Lab Artificial Microand Nanostruct, Wuhan 430072, Peoples R China

[7] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China

来源：

ACTA MATERIALIA | 2022年 / 238卷

基金：

中国国家自然科学基金;

关键词：

Hydrogen isotopes permeation barrier; Multi -component metal oxide glass; Oxygen vacancy; First -principles calculations; TOTAL-ENERGY CALCULATIONS; HIGH-ENTROPY ALLOYS; DEUTERIUM PERMEATION; NITRIDE FILMS; XPS; ORDER; TI;

D O I：

10.1016/j.actamat.2022.118204

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Developing ceramic coating with high hydrogen isotopes permeation resistance is an urgent task in many fields such as fusion reactor systems, hydrogen storage/transportation, and fuel cell. In this work, a (TiVAl-CrZr)O multi-component metal oxide glass (MCMOG) coating is developed as a new type of hydrogen isotopes permeation barrier (HIPB), and the diffusion behavior of deuterium in MCMOG is studied for the first time. Compared with the deuterium permeation reduction factor (DPRF) of 51 for amorphous alumina coating (at 587 degrees C in 0.65 mu m), the 29 nm dense MCMOG coating has around 27 times en-hancement with DPRF of 1420 at 550 degrees C. Based on first-principles calculations, we show that the sig-nificantly suppressed deuterium permeation in MCMOGs is attributed to the sluggish diffusion of deu-terium arising from the highly rugged energy landscape, which is induced by the diversity of electronic band structures near the Fermi level. In addition, oxygen vacancies strongly affect PRF, where the PRF of the fully oxidized MCMOG layer (29 nm) is around 200 times compared to that of MCMOG with the same thickness containing oxygen vacancies. Therefore, dense MCMOG is a new promising HIPB material. (c) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页数：9

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