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Title: Oxygen self-diffusion mechanisms in monoclinic Zr O 2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations

Authors:
; ;
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 2; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1418404

Yang, Jing, Youssef, Mostafa, and Yildiz, Bilge. Oxygen self-diffusion mechanisms in monoclinic Zr O 2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations. United States: N. p., Web. doi:10.1103/PhysRevB.97.024114.
Yang, Jing, Youssef, Mostafa, & Yildiz, Bilge. Oxygen self-diffusion mechanisms in monoclinic Zr O 2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations. United States. doi:10.1103/PhysRevB.97.024114.
Yang, Jing, Youssef, Mostafa, and Yildiz, Bilge. 2018. "Oxygen self-diffusion mechanisms in monoclinic Zr O 2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations". United States. doi:10.1103/PhysRevB.97.024114.
@article{osti_1418404,
title = {Oxygen self-diffusion mechanisms in monoclinic Zr O 2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations},
author = {Yang, Jing and Youssef, Mostafa and Yildiz, Bilge},
abstractNote = {},
doi = {10.1103/PhysRevB.97.024114},
journal = {Physical Review B},
number = 2,
volume = 97,
place = {United States},
year = {2018},
month = {1}
}

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