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Title: Atomic Origins of Water-Vapour-Promoted Alloy Oxidation

Abstract

The presence of water vapor, intentional or unavoidable, is crucial to many materials applications, such as steam generator, turbine engine, fuel cell, catalyst, and corrosion 1-6. Phenomenologically, water vapor has been noticed to accelerate oxidation of metals/alloys 7,8, however, the atomistic mechanisms remain elusive. Herein, through direct in situ atomic-scale transmission electron microscopy observation and density functional theory calculation, we reveal that water vapor enhanced oxidation of Ni-Cr alloy is associated with proton dissolution promoted vacancy formation, migration and clustering. Protons derived from water dissociation occupy interstitial position in the oxide lattice, which consequently leads to the lowering of both vacancy formation energy and the cation diffusion barrier. The atomic scale observations reveal a water vapor derived proton mediated oxide growth mechanism, which provides insights for reckoning many technological processes concerning materials in moist environment at elevated temperatures.

Authors:
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Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1495038
Report Number(s):
PNNL-SA-124752
Journal ID: ISSN 1476-1122
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Nature Materials
Additional Journal Information:
Journal Volume: 17; Journal Issue: 6; Journal ID: ISSN 1476-1122
Publisher:
Springer Nature - Nature Publishing Group
Country of Publication:
United States
Language:
English

Citation Formats

Luo, Langli, Su, Mao, Yan, Pengfei, Zou, Lianfeng, Schreiber, Daniel K., Baer, Donald R., Zhu, Zihua, Zhou, Guangwen, Wang, Yanting, Bruemmer, Stephen M., Xu, Zhijie, and Wang, Chongmin. Atomic Origins of Water-Vapour-Promoted Alloy Oxidation. United States: N. p., 2018. Web. doi:10.1038/s41563-018-0078-5.
Luo, Langli, Su, Mao, Yan, Pengfei, Zou, Lianfeng, Schreiber, Daniel K., Baer, Donald R., Zhu, Zihua, Zhou, Guangwen, Wang, Yanting, Bruemmer, Stephen M., Xu, Zhijie, & Wang, Chongmin. Atomic Origins of Water-Vapour-Promoted Alloy Oxidation. United States. doi:10.1038/s41563-018-0078-5.
Luo, Langli, Su, Mao, Yan, Pengfei, Zou, Lianfeng, Schreiber, Daniel K., Baer, Donald R., Zhu, Zihua, Zhou, Guangwen, Wang, Yanting, Bruemmer, Stephen M., Xu, Zhijie, and Wang, Chongmin. Mon . "Atomic Origins of Water-Vapour-Promoted Alloy Oxidation". United States. doi:10.1038/s41563-018-0078-5.
@article{osti_1495038,
title = {Atomic Origins of Water-Vapour-Promoted Alloy Oxidation},
author = {Luo, Langli and Su, Mao and Yan, Pengfei and Zou, Lianfeng and Schreiber, Daniel K. and Baer, Donald R. and Zhu, Zihua and Zhou, Guangwen and Wang, Yanting and Bruemmer, Stephen M. and Xu, Zhijie and Wang, Chongmin},
abstractNote = {The presence of water vapor, intentional or unavoidable, is crucial to many materials applications, such as steam generator, turbine engine, fuel cell, catalyst, and corrosion 1-6. Phenomenologically, water vapor has been noticed to accelerate oxidation of metals/alloys 7,8, however, the atomistic mechanisms remain elusive. Herein, through direct in situ atomic-scale transmission electron microscopy observation and density functional theory calculation, we reveal that water vapor enhanced oxidation of Ni-Cr alloy is associated with proton dissolution promoted vacancy formation, migration and clustering. Protons derived from water dissociation occupy interstitial position in the oxide lattice, which consequently leads to the lowering of both vacancy formation energy and the cation diffusion barrier. The atomic scale observations reveal a water vapor derived proton mediated oxide growth mechanism, which provides insights for reckoning many technological processes concerning materials in moist environment at elevated temperatures.},
doi = {10.1038/s41563-018-0078-5},
journal = {Nature Materials},
issn = {1476-1122},
number = 6,
volume = 17,
place = {United States},
year = {2018},
month = {5}
}