HPC parallelisation of boundary conditions in multiscale methods

Asproulis, Nikolaos and Drikakis, Dimitris (2014) HPC parallelisation of boundary conditions in multiscale methods. Journal of Algorithms and Computational Technology, 8 (4). pp. 357-368. ISSN 1748-3026 (https://doi.org/10.1260/1748-3018.8.4.357)

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Abstract

This paper investigates two numerical implementations of continuum boundary conditions in parallel high performance computing (HPC) systems in conjunction with multiscale modelling comprising molecular dynamics (MD) and computational fluid dynamics (CFD) methods. The multiscale method provides the best compromise in terms of accuracy and computational cost in mesoscale regimes, however, there are still algorithmic challenges preventing the practical application of these methods. The present study investigates some of these challenges, namely different domain decompositions of the momentum transferred from the continuum domain to the atomistic region in conjunction with HPC parallelisation

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  Item type:	Article
  ID code:	54604
  Dates:	Date Event 1 December 2014 Published 30 October 2014 Published Online 29 May 2014 Accepted
  Subjects:	Technology > Chemical engineering
  Department:	Faculty of Engineering
  Depositing user:	Pure Administrator
  Date deposited:	17 Oct 2015 00:03
  Last modified:	11 Nov 2024 11:10
  Related URLs:	Scopus publication
  URI:	https://strathprints.strath.ac.uk/id/eprint/54604