Atomistic modelling of tritium thermodynamics and kinetics in tungsten and its oxides

Atomistic modelling of tritium thermodynamics and kinetics in tungsten and its oxides

Atomistic simulations using ab initio density functional theory and machine-learned potentials have been employed to map the structural, thermodynamic, and kinetic properties of the T-WOx system (x = 0 to 3). The simulations reveal that the T permeability is low in WO2, intermediate in W, and relati...

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Bibliographic Details
Main Authors: M. Christensen, E. Wimmer, M.R. Gilbert, C. Geller, B. Dron, D. Nguyen-Manh
Format: Article
Language:English
Published: Elsevier 2024-03-01
Series:Nuclear Materials and Energy
Subjects:
Tungsten oxides
Tritium
Thermodynamic
Diffusion
Ab initio
DFT
Online Access:http://www.sciencedirect.com/science/article/pii/S2352179124000334

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http://www.sciencedirect.com/science/article/pii/S2352179124000334

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