119 citations · 367 across the 6 of their papers we have counts for
6 papers
Investigation of cation self-diffusion mechanisms in UO2+-x using molecular dynamics
A. S. Boyarchenkov, S. I. Potashnikov, K. A. Nekrasov +1
This article is devoted to investigation of cation self-diffusion mechanisms, taking place in UO2, UO2+x, and UO2-x crystals simulated under periodic (PBC) and isolated (IBC) bound…
High-precision molecular dynamics simulation of UO2-PuO2: Anion self-diffusion 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)…
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: superionic transition in uranium dioxide
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 rigid ions approximation using high-performance graphics…
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)…