Solid solutions of monazites and xenotimes of lanthanides and plutonium: Atomistic model of crystal structures, point defects and mixing properties
2
Department of Natural Sciences of Lomonosov MSU Branch in Dushanbe, Bokhtar str., 35/1, Dushanbe 734003, Tajikistan
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Publication type: Journal Article
Publication date: 2019-02-01
scimago Q1
wos Q2
SJR: 0.782
CiteScore: 6.6
Impact factor: 3.3
ISSN: 09270256, 18790801
General Chemistry
General Physics and Astronomy
General Materials Science
Mechanics of Materials
Computational Mathematics
General Computer Science
Abstract
Abstract We have calculated the structural and thermodynamic parameters for solid solutions of lanthanides and plutonium monazites and xenotimes using the developed consistent set of interatomic potentials. We have estimated energies of the point defects of crystal structures. The developed model can be applied for further modelling of radiation stability of Pu-containing monazite using molecular dynamics approach.
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Citations from 2024:
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Eremin N. N. et al. Solid solutions of monazites and xenotimes of lanthanides and plutonium: Atomistic model of crystal structures, point defects and mixing properties // Computational Materials Science. 2019. Vol. 157. pp. 43-50.
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Eremin N. N., Marchenko E. I., Ulanova A. S., Petrov V. G., Mitrofanov A. Solid solutions of monazites and xenotimes of lanthanides and plutonium: Atomistic model of crystal structures, point defects and mixing properties // Computational Materials Science. 2019. Vol. 157. pp. 43-50.
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TY - JOUR
DO - 10.1016/j.commatsci.2018.10.025
UR - https://doi.org/10.1016/j.commatsci.2018.10.025
TI - Solid solutions of monazites and xenotimes of lanthanides and plutonium: Atomistic model of crystal structures, point defects and mixing properties
T2 - Computational Materials Science
AU - Eremin, Nickolay N
AU - Marchenko, Ekaterina I
AU - Ulanova, Amina S
AU - Petrov, Vladimir G
AU - Mitrofanov, Artem
PY - 2019
DA - 2019/02/01
PB - Elsevier
SP - 43-50
VL - 157
SN - 0927-0256
SN - 1879-0801
ER -
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@article{2019_Eremin,
author = {Nickolay N Eremin and Ekaterina I Marchenko and Amina S Ulanova and Vladimir G Petrov and Artem Mitrofanov},
title = {Solid solutions of monazites and xenotimes of lanthanides and plutonium: Atomistic model of crystal structures, point defects and mixing properties},
journal = {Computational Materials Science},
year = {2019},
volume = {157},
publisher = {Elsevier},
month = {feb},
url = {https://doi.org/10.1016/j.commatsci.2018.10.025},
pages = {43--50},
doi = {10.1016/j.commatsci.2018.10.025}
}