Demonstration of the model of physicochemical processes in heavy liquid metal cooled reactors in an example of the THEADES experiment simulation

Sergeenko, K. M.; Svirid, K.; Afremov, D. A.; Folomeev, V.

doi:10.1016/j.nucengdes.2022.111870

Cited by 7 publications

(1 citation statement)

References 10 publications

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“…Unfortunately, Navier-Stokes equations have fundamental limitations, since the premise that the system can be represented as a continuous field does not hold at the atomistic scale where many important physical processes take place, see e.g. Hadjiconstantinou (2006); Grinberg et al (2011); Sergeenko et al (2022). The onset of turbulence is always analysed as a multiscale phenomenon (e.g.…”

Section: Introductionmentioning

confidence: 99%

GPU-based molecular dynamics of fluid flows: Reaching for turbulence

Pavlov,

Galigerov,

Kolotinskii

et al. 2023

The International Journal of High Performance Computing Applica

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Fluid dynamics is a ubiquitous problem that arises in different branches of science and industry. It is usually tackled by numerically solving continuum Navier-Stokes type equations. Molecular dynamics has been not a feasible tool to approach fluid dynamics until very recently due to its disproportional computational complexity for relevant system sizes. In this paper, we propose a new type of boundary conditions for molecular dynamics simulations of stationary fluid flows and present its possible GPU-based implementations in OpenMM and LAMMPS. We examine the performance and scalability of the proposed implementations. The benchmarking results show promising performance that makes it possible to reach turbulence in atomistic models of stationary fluid flows using modern supercomputers.

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Section: Introductionmentioning

confidence: 99%