TITLE

First-principles Modeling of Materials for Nuclear Energy Applications

AUTHOR(S)
Dmitriev, Andrey I.; Ponomareva, Alena V.; Nikonov, Anton Yu.; Abrikosov, Igor A.; Barannikova, Svetlana A.
PUB. DATE
November 2014
SOURCE
AIP Conference Proceedings;2014, Vol. 1623, p131
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We discuss recent developments in the field of ab initio electronic structure theory and its use for studies of materials for nuclear energy applications. We review state-of-the-art simulation methods that allow for an efficient treatment of effects due to chemical and magnetic disorder' and illustrate their predictive power with examples of two materials systems' Fe-Cr-Ni alloys and Zr-Nb alloys.
ACCESSION #
99538800

 

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