skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials

Authors:
; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Atomic-Level Catalyst Design (CALCD)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1384081
DOE Contract Number:  
SC0001058
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Nuclear Materials; Journal Volume: 452; Journal Issue: 1-3; Related Information: CALCD partners with Louisiana State University (lead); Clemson University; University of Florida; Georgia Institute of Technology; Grambling State University; Oak Ridge National Laboratory; Ohio State University; Pennsylvania State; Texas A&M University; Vienna University of Technology, Austria; University of Utrecht, Netherlands
Country of Publication:
United States
Language:
English
Subject:
catalysis (heterogeneous), hydrogen and fuel cells, charge transport, carbon capture, carbon sequestration, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Noordhoek, Mark J., Liang, Tao, Chiang, Tsu-Wu, Sinnott, Susan B., and Phillpot, Simon R. Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials. United States: N. p., 2014. Web. doi:10.1016/j.jnucmat.2014.05.023.
Noordhoek, Mark J., Liang, Tao, Chiang, Tsu-Wu, Sinnott, Susan B., & Phillpot, Simon R. Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials. United States. doi:10.1016/j.jnucmat.2014.05.023.
Noordhoek, Mark J., Liang, Tao, Chiang, Tsu-Wu, Sinnott, Susan B., and Phillpot, Simon R. Mon . "Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials". United States. doi:10.1016/j.jnucmat.2014.05.023.
@article{osti_1384081,
title = {Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials},
author = {Noordhoek, Mark J. and Liang, Tao and Chiang, Tsu-Wu and Sinnott, Susan B. and Phillpot, Simon R.},
abstractNote = {},
doi = {10.1016/j.jnucmat.2014.05.023},
journal = {Journal of Nuclear Materials},
number = 1-3,
volume = 452,
place = {United States},
year = {Mon Sep 01 00:00:00 EDT 2014},
month = {Mon Sep 01 00:00:00 EDT 2014}
}