An approach to evaluate the accuracy of interatomic potentials as applied to tungsten

IV Kosarev, SA Shcherbinin, AA Kistanov… - Computational Materials …, 2024 - Elsevier
Molecular dynamics (MD) is a powerful tool for modeling structural transformations in
metallic materials under irradiation, severe plastic deformation, laser processing, etc. The …

A ternary EAM interatomic potential for U–Mo alloys with xenon

DE Smirnova, AY Kuksin, SV Starikov… - … and Simulation in …, 2013 - iopscience.iop.org
A new interatomic potential for a uranium–molybdenum system with xenon is developed in
the framework of an embedded atom model using a force-matching technique and a dataset …

Atomistic simulation of cubic and tetragonal phases of U-Mo alloy: Structure and thermodynamic properties

SV Starikov, LN Kolotova, AY Kuksin… - Journal of nuclear …, 2018 - Elsevier
We studied structure and thermodynamic properties of cubic and tetragonal phases of pure
uranium and U-Mo alloys using atomistic simulations: molecular dynamics and density …

Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

S Hu, DE Burkes, CA Lavender, DJ Senor… - Journal of Nuclear …, 2016 - Elsevier
Nano-gas bubble superlattices are often observed in irradiated UMo nuclear fuels. However,
the formation mechanism of gas bubble superlattices is not well understood. A number of …

Development of a machine-learning interatomic potential for uranium under the moment tensor potential framework

H Chen, D Yuan, H Geng, W Hu, B Huang - Computational Materials …, 2023 - Elsevier
Uranium is attracting growing interest across fundamental science and nuclear research,
where atomistic simulations remain challenging. In this study, we developed a novel …

Investigation of point defects diffusion in bcc uranium and U–Mo alloys

DE Smirnova, AY Kuksin, SV Starikov - Journal of Nuclear Materials, 2015 - Elsevier
We present results of investigation of point defects formation and diffusion in pure γ-U and γ-
U–Mo fuel alloys. The study was performed using molecular dynamics simulation with the …

Atomistic modeling of high temperature uranium–zirconium alloy structure and thermodynamics

AP Moore, B Beeler, C Deo, MI Baskes… - Journal of Nuclear …, 2015 - Elsevier
A semi-empirical Modified Embedded Atom Method (MEAM) potential is developed for
application to the high temperature body-centered-cubic uranium–zirconium alloy (γ-U–Zr) …

An atomistic study of defect energetics and diffusion with respect to composition and temperature in γU and γU-Mo alloys

G Park, B Beeler, MA Okuniewski - Journal of Nuclear Materials, 2021 - Elsevier
Abstract Uranium-molybdenum (U-Mo) alloys are promising candidates for high-
performance research and test reactors, as well as fast reactors. The metastable γ phase …

Atomistic modeling of the self-diffusion in γ-U and γ-U-Mo

DE Smirnova, AY Kuksin, SV Starikov… - The Physics of Metals …, 2015 - Springer
Results of investigations of the self-diffusion in gamma-uranium and metallic U-Mo alloys
are presented. Calculations are performed using the method of atomistic modeling with the …

Transmission electron microscopy investigation of phase transformation and fuel constituent redistribution in neutron irradiated U-10wt.% Zr fuel

J Thomas, X Liu, L He, D Murray, F Teng… - Journal of Nuclear …, 2023 - Elsevier
Abstract Uranium-10 wt.% zirconium (U-10 wt.% Zr) is a primary candidate for fast reactor
nuclear fuels. However, there is a lack of data characterizing the crystallographic phases …