Sintering of uranium dioxide nanoparticles. A molecular dynamics simulation

Dastan D. Seitov, Y. Y. Gracheva, Kirill A. Nekrasov, A. Ya. Kupryazhkin, Sanjeev Kumar Gupta, Abdirash T. Akilbekov

2019

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DOI 10.1063/1.5134209
Data confidence 70 medium
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Abstract

A molecular dynamics simulation of sintering of two octahedral uranium dioxide nanocrystals contacting in the vertex region is carried out. Two main stages of the sintering process are observed. At the beginning of the simulation, the neck between the crystallites is formed due to the mutual attraction of the adjacent (111) faces. Further increase in the neck thickness occurs due to transport of the material from the surface of the crystallites in a much slower diffusion process. The estimate of the activation energy of this process is in the range from 11 to 14 eV.