Chemical states of 3d transition metal impurities in a liquid lead–bismuth eutectic analyzed using first principles calculations
Author:
Affiliation:
1. Department of Nuclear Engineering
2. Seoul National University
3. Seoul 151-744
4. Republic of Korea
Abstract
Interactions of 4s and 3d orbitals with the 6p band largely determine the chemical states of 3d transition-metal impurities in a liquid LBE.
Funder
Seoul National University
National Research Foundation of Korea
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP00575J
Reference52 articles.
1. Ab initio molecular dynamics study of temperature dependent structure properties of liquid lead–bismuth eutectic alloy
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5. Heavy Liquid Metal Corrosion of Structural Materials in Advanced Nuclear Systems
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