DFT investigation of the dissolution trends of NiTi alloys with the B<sub>2</sub> and B19′ phases during the initial oxidation stage-Reference-Cited by-同舟云学术

DFT investigation of the dissolution trends of NiTi alloys with the B₂ and B19′ phases during the initial oxidation stage

Published:2023 Issue:29 Volume:25 Page:19804-19814
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Xiaoting¹,Xie Dong¹^ORCID,Wei Longjun²,You Duo¹,Hou Mingxi¹,Leng Yongxiang²³

Affiliation:

1. Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, China

2. School of Materials Science and Engineering, Southwest Jiaotong University, Chengdu 610031, China

3. Sichuan Province International Science and Technology Cooperation Base of Functional Materials, College of Medicine, Southwest Jiaotong University, Chengdu 610031, China

Abstract

DFT calculations of the selective corrosion of NiTi alloy indicate that oxidation promotes and impedes the dissolution of Ni and Ti, respectively, and the corrosion resistance of NiTi-B2 phase should be better than that of NiTi-B19′ phase.

Funder

Natural Science Foundation of Sichuan Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01024D

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2. Oxidation of pure and potassium-doped NiTi shape memory surface: A density functional theory investigation

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