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 …
metallic materials under irradiation, severe plastic deformation, laser processing, etc. The …
A ternary EAM interatomic potential for U–Mo alloys with xenon
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 …
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 …
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
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 …
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
Uranium is attracting growing interest across fundamental science and nuclear research,
where atomistic simulations remain challenging. In this study, we developed a novel …
where atomistic simulations remain challenging. In this study, we developed a novel …
Investigation of point defects diffusion in bcc uranium and U–Mo alloys
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 …
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
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) …
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
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 …
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
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 …
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
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 …
nuclear fuels. However, there is a lack of data characterizing the crystallographic phases …