Dynamics of 2-crowdion and energy transfer in tungsten: atomistic modeling
https://doi.org/10.25587/2222-5404-2024-21-4-73-80
Abstract
The migration of point defects in metals contributes to the transfer of mass and energy during plastic deformation, heat treatment, irradiation, etc. In this regard, the study of such physical processes of nonlinear dynamics of the crystal lattice of metals is an urgent task. In this paper, the dynamics of 2-crowdion and the processes of energy transfer in tungsten are studied, aimed at understanding the mechanisms of defect formation and energy dissipation under extreme temperatures and pressures. It is known that crystal lattices accumulate a large number of defects under external influence, such as vacancies, dislocations, and grain boundaries. All these defects create internal stress fields that will affect the dynamics of crowdions. Using the methods of molecular dynamic modeling and embedded atom model, the propagation of 2-crowdions in a three-dimensional structure was studied. The main results show that the formation of 2-crowdions occurs at critical values of the excitation energy and depends on the initial configuration of the system, where 2-crowdions initiate chain processes of energy transfer through the atomic lattice. It is revealed that the depth of passage of the 2-crowdion linearly depends on the magnitude of the initial energy. The obtained spatiotemporal characteristics of the energy distribution demonstrate the role of 2-crowdions in the local concentration of energy and its subsequent transfer through atomic bonds, which leads to the formation of point defects. These results are important for the design of new radiation-resistant materials, as they help predict the material’s resistance to high-energy influences. The work contributes to the understanding of the physical foundations of energy dissipation and the behavior of defects in refractory materials used in thermonuclear fusion and other high-temperature processes
Keywords
tungsten,
crystal lattice defects,
vacancy,
dislocation,
crowdions,
energy transfer,
nonlinear dynamics,
interaction potential,
molecular dynamics method,
modeling
Supporting agencies: The research was conducted with the financial support from the Ministry of Science and Higher Education of the Russian Federation within the framework of the state assignment of Ufa University of Science and Technology (Agreement No. 075-03-2023-119/1) of the Youth Scientific Research Laboratory of the Research and Educational Center “Metals and Alloys under Extreme Impacts” to Yu. R. Sharapova (performing calculations) and M. M. Kazakov (analysing and discussing the results obtained). M. N. Semyonova (problem formulation and modeling) acknowledges support from the Russian Science Foundation (grant 24-22-00092).
About the Authors
Yu. R. Sharapova
Ufa University of Science and Technology
Russian Federation
Russian Federation
Yulia R. Sharapova – Researcher engineer, Youth Scientific Research Laboratory of Metals and
Alloys under Extreme Impacts
Ufa
A. M. Kazakov
Ufa University of Science and Technology
Russian Federation
Russian Federation
Arseny M. Kazakov — Researcher engineer, Youth Scientific Research Laboratory of Metals and Alloys under Extreme Impacts
Ufa
M. N. Semyonova
Polytechnic Institute (branch) of M.K. Ammosov NEFU
Russian Federation
Russian Federation
Mariya N. Semyonova — Cand. Sci. (Phys. and Math.), Assoc. Prof., Department of Fundamental and Applied Mathematics
Mirny
Zh. G. Rahmatullina
Ufa University of Science and Technology; Institute for Metals Superplasticity Problems of RAS
Russian Federation
Russian Federation
Zhanna G. Rahmatullina – Сand. Sci. (Phys. and Math.), Junior Researcher, Youth Scientific Research Laboratory of Metals and Alloys under Extreme Impacts
Ufa
D. R. Timerbaev
Ufa University of Science and Technology
Russian Federation
Russian Federation
Dmitry R. Timerbaev – Lead. Engineer at the Institute of Computer Research
Ufa
E. A. Korznikova
Ufa University of Science and Technology; Polytechnic Institute (branch) of M.K. Ammosov NEFU; Institute for Metals Superplasticity Problems of RAS
Russian Federation
Russian Federation
Elena A. Korznikova – Dr. Sci. (Phys. and Math.), Prof., Head of the Youth Scientific Research Laboratory of Metals and Alloys under Extreme Impacts; Prof. of the Department of Electrification and Automation of Industrial Production
Ufa
Mirny
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Review
For citations:
Sharapova Yu.R., Kazakov A.M., Semyonova M.N., Rahmatullina Zh.G., Timerbaev D.R., Korznikova E.A. Dynamics of 2-crowdion and energy transfer in tungsten: atomistic modeling. Vestnik of North-Eastern Federal University. 2024;21(4):73-80. (In Russ.) https://doi.org/10.25587/2222-5404-2024-21-4-73-80
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