Interaction between Voids and Grain Boundaries in UO₂ By Molecular-Dynamics Simulation

Author

Tsu-Wu Chiang
Aleksandr V. Chernatynskiy, Missouri University of Science and TechnologyFollow
Susan Sinnott
Simon R. Phillpot

Abstract

This work uses atomic-level simulations to analyze the interactions of voids with a grain boundary (GB) in UO₂, the ubiquitous fuel material for light water reactors. Specifically, the high-temperature interactions of a (3 1 0) Σ5 tilt GB structure with voids of diameter 1.8 nm are analyzed. We find that the GB tends to move towards the void when they are within a few nm of each other. With increasing temperature, GB migration from greater distances toward to the void is predicted to take place. Both GB pinning to the void and void dissolution at the GB take place. The atomic-level mechanisms and the energetics associated with these processes are characterized.

Recommended Citation

T. Chiang et al., "Interaction between Voids and Grain Boundaries in UO₂ By Molecular-Dynamics Simulation," Journal of Nuclear Materials, vol. 448, no. 1-3, pp. 53 - 61, Elsevier, May 2014.

The definitive version is available at https://doi.org/10.1016/j.jnucmat.2014.01.027

Department(s)

Physics

Research Center/Lab(s)

Center for High Performance Computing Research

International Standard Serial Number (ISSN)

0022-3115

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2014 Elsevier, All rights reserved.

Publication Date

01 May 2014