**Molecular dynamics simulation of intragranular Xe bubble re-solution in
UO2**

D Schwen and M Huang and P Bellon and RS Averback, JOURNAL OF NUCLEAR MATERIALS, 392, 35-39 (2009).

DOI: 10.1016/j.jnucmat.2009.03.037

The homogeneous re-solution of Xe fission gas bubbles in UO2 is
investigated by combined Monte Carlo and molecular dynamics simulations.
Using a binary collision model, based on the Ziegler-Littmark-Biersack
potential **J.F. Ziegler, J.P. Biersack, U. Littmark, The Stopping and
Range of Ions in Solids. Stopping and Ranges of Ions in Matter, vol. 1,
Pergamon Press, New York, 1984**, the recoil energy distribution of
fission gas atoms is obtained. An extensive library of fission gas atom
displacement cascades is then compiled using molecular dynamic
simulations. It used for calculating recoil spectrum averaged
quantities. The calculations yield a re-solution parameter for
homogeneous re-solution and a displacement distribution of fission gas
atoms around the fission gas bubbles. The results disagree considerably
from past estimates. The importance of channeling and threshold energy
for fission gas escape are discussed. (C) 2009 Elsevier B.V. All rights
reserved.

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