Výsledky vyhledávání - "Nekrasov, K. A."

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Investigation of cation self-diffusion mechanisms in UO2+-x using molecular dynamics

Autor: Boyarchenkov, A. S., Potashnikov, S. I., Nekrasov, K. A., Kupryazhkin, A. Ya.

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) boundary conditions using the method of molecular dynamics in the approxima

Externí odkaz: http://arxiv.org/abs/1305.2901

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High-precision molecular dynamics simulation of UO2-PuO2: Anion self-diffusion in UO2

Autor: Potashnikov, S. I., Boyarchenkov, A. S., Nekrasov, K. A., Kupryazhkin, A. Ya.

Publikováno v: Journal of Nuclear Materials 433 (2013) 215-226

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) using high-performance graphics processors (GPU). In this article we

Externí odkaz: http://arxiv.org/abs/1206.4429

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Molecular dynamics simulation of UO2 nanocrystals melting under isolated and periodic boundary conditions

Autor: Boyarchenkov, A. S., Potashnikov, S. I., Nekrasov, K. A., Kupryazhkin, A. Ya.

Publikováno v: Journal of Nuclear Materials 427 (2012) 311-322

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 ion approximation. Both isolated (in vacuum) and periodic boundary con

Externí odkaz: http://arxiv.org/abs/1103.6277

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Molecular dynamics simulation of UO2 nanocrystals surface

Autor: Boyarchenkov, A. S., Potashnikov, S. I., Nekrasov, K. A., Kupryazhkin, A. Ya.

Publikováno v: Journal of Nuclear Materials 421 (2012) pp. 1-8

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 approximation of pair potentials and rigid ions. It is shown that a cubic s

Externí odkaz: http://arxiv.org/abs/1103.6010

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High-precision molecular dynamics simulation of UO2-PuO2: superionic transition in uranium dioxide

Autor: Potashnikov, S. I., Boyarchenkov, A. S., Nekrasov, K. A., Kupryazhkin, A. Ya.

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 processors (GPU). In this article we assess the 10 most relevant inte

Externí odkaz: http://arxiv.org/abs/1102.1553

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