The primary damage state in fcc, bcc and hcp metals as seen in molecular dynamics simulations

2000 ◽  
Vol 276 (1-3) ◽  
pp. 1-12 ◽  
Author(s):  
D.J. Bacon ◽  
F. Gao ◽  
Yu.N. Osetsky
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Damage State ◽  
Primary Damage ◽  
Dynamics Simulations

Molecular Dynamics Simulation of Fission Fragment Damage in Nuclear Fuel and Surrogate Material

MRS Advances ◽  
2017 ◽  
Vol 2 (21-22) ◽  
pp. 1225-1230 ◽  
Author(s):  
Ram Devanathan
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Fuel ◽  
Unit Length ◽  
Heavy Ion ◽  
Dynamics Simulation ◽  
Stoichiometric Ratio ◽  
Damage State ◽  
Order Of Magnitude ◽  
Primary Damage ◽  
Dynamics Simulations

ABSTRACTWe have performed classical molecular dynamics simulations of swift heavy ion damage, typical of fission fragments, in nuclear fuel (UO2) for energy deposition per unit length of 3.9 keV/nm. We did not observe amorphization. The damage mainly consisted of isolated point defects. Only about 1% of the displacements occur on the uranium sublattice. Oxygen Frenkel pairs are an order of magnitude more numerous than uranium Frenkel pairs in the primary damage state. In contrast, previous results show that the ratio of Frenkel pairs on the two sublattices is close to the stoichiometric ratio in ceria. These differences in the primary damage state may lead to differences in radiation response of UO2 and CeO2.

Sign in / Sign up

Export Citation Format

Share Document