119 citations · 354 across the 7 of their papers we have counts for
3 papers · 1 filter
Molecular dynamics simulation of UO2 nanocrystals surface
A. S. Boyarchenkov, S. I. Potashnikov, K. A. Nekrasov +1
In this article we investigated surface of nanocrystals (NC) of uranium dioxide (UO2) using molecular dynamics (MD) under isolated (non-periodic) boundary conditions with the appro…
Molecular dynamics simulation of UO2 nanocrystals melting under isolated and periodic boundary conditions
A. S. Boyarchenkov, S. I. Potashnikov, K. A. Nekrasov +1
Melting of uranium dioxide (UO2) nanocrystals has been studied by molecular dynamics (MD) simulation. Ten recent and widely used sets of pair potentials were assessed in the rigid…
High-precision molecular dynamics simulation of UO2-PuO2: pair potentials comparison in UO2
S. I. Potashnikov, A. S. Boyarchenkov, K. A. Nekrasov +1
Our series of articles is devoted to high-precision molecular dynamics simulation of mixed actinide-oxide (MOX) fuel in the approximation of rigid ions and pair interactions (RIPI)…