Interaction between voids and grain boundaries in UO2 by molecular-dynamics simulation

被引：9

作者：

Chiang, Tsu-Wu ^{[1
]}

Chernatynskiy, Aleksandr ^{[1
]}

Sinnott, Susan B. ^{[1
]}

Phillpot, Simon R. ^{[1
]}

机构：

[1] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA

来源：

JOURNAL OF NUCLEAR MATERIALS | 2014年 / 448卷 / 1-3期

关键词：

FISSION-GAS RELEASE; MICROSTRUCTURAL CHANGE; MIGRATION; DIFFUSION; BUBBLES; BURNUP;

D O I：

10.1016/j.jnucmat.2014.01.027

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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) Sigma 5 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. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：53 / 61

页数：9

共 50 条

[21] Diffusion of Oxygen Dumbbell Interstitial Defect in UO2 by Molecular Dynamics [J].

Zhang H. ;

Wang Q. ;

Li Z. .

Yuanzineng Kexue Jishu/Atomic Energy Science and Technology, 2020, 54 (04) :657-662

[22] Molecular dynamics study of fission gas bubble nucleation in UO2 [J].

Liu, X. -Y. ;

Andersson, D. A. .

JOURNAL OF NUCLEAR MATERIALS, 2015, 462 :8-14

[23] Molecular Dynamics Simulation of Thermal Transport in UO2 Containing Uranium, Oxygen, and Fission-product Defects [J].

Liu, X. -Y. ;

Cooper, M. W. D. ;

McClellan, K. J. ;

Lashley, J. C. ;

Byler, D. D. ;

Bell, B. D. C. ;

Grimes, R. W. ;

Stanek, C. R. ;

Andersson, D. A. .

PHYSICAL REVIEW APPLIED, 2016, 6 (04)

[24] Atomic dynamics of grain boundaries in bulk nanocrystalline aluminium: A molecular dynamics simulation study [J].

Hou, Z. Y. ;

Tian, Z. A. ;

Mo, Y. F. ;

Liu, R. S. ;

Wang, J. G. ;

Shuai, X. M. ;

Dong, K. J. .

COMPUTATIONAL MATERIALS SCIENCE, 2015, 108 :177-182

[25] Irradiation behavior of large grain UO2 fuel rod by active powder [J].

Harada, Y ;

Doi, S .

JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, 1998, 35 (06) :411-418

[26] Grain-boundary diffusion creep in nanocrystalline palladium by molecular-dynamics simulation [J].

Yamakov, V ;

Wolf, D ;

Phillpot, SR ;

Gleiter, H .

ACTA MATERIALIA, 2002, 50 (01) :61-73

[27] Effect of fission Xe on diffusion of oxygen and uranium in UO2: a molecular dynamics study [J].

Deng, B. L. ;

Tian, X. F. ;

Zhai, J. ;

Hu, Y. F. .

INDIAN JOURNAL OF PHYSICS, 2014, 88 (11) :1183-1189

[28] Atomistic/mesoscopic approach to the grains boundaries fracture: The case of UO2 [J].

Manorosoa, Z. A. ;

Chrysochoos, A. ;

Jelea, A. ;

Monerie, Y. ;

Perales, F. .

ENGINEERING FRACTURE MECHANICS, 2025, 320

[29] An advanced model for grain face diffusion transport in irradiated UO2 fuel. Part 2: Model implementation and validation [J].

Tarasov, V. I. ;

Veshchunov, M. S. .

JOURNAL OF NUCLEAR MATERIALS, 2009, 392 (01) :85-89

[30] Thermal stability of interface voids in Cu grain boundaries with molecular dynamic simulations [J].

Xydou, A. ;

Parviainen, S. ;

Aicheler, M. ;

Djurabekova, F. .

JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2016, 49 (35)

← 1 2 3 4 5 →