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Sökning: WFRF:(Nitzsche K)

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1.
  • Bauer, M., et al. (författare)
  • Accuracy in a finite volume godunov type method
  • 2013
  • Ingår i: New Results in Numerical and Experimental Fluid Mechanics VIII : Contributions to the 17th STAB/DGLR Symposium Berlin, Germany 2010 - Contributions to the 17th STAB/DGLR Symposium Berlin, Germany 2010. - Berlin, Heidelberg : Springer Berlin Heidelberg. - 9783642356797 ; 121, s. 387-394
  • Konferensbidrag (refereegranskat)abstract
    • The standard Godunov type method used in computational fluid dynamics shows accuracy problems for low Mach number flows and for the kinetic energy at the highest wave numbers resolvable on a given grid. Both drawbacks become visible when simulating the decay of isotropic turbulence at the low Mach numbers typical for the respective experimental investigations. A modification to cure both problems is proposed by Thornber et al. [10] with a mathematical motivation in case of a special fifth order reconstruction. The theoretical results are repeated here. Numerical results are achieved for schemes not investigated in that literature, namely AUSMDV and AUSM + -up which includes already modifications for low Mach number flows. First experiences with Thornber's modification confirm the positive influence in combination with AUSMDV even if the reconstruction is only of second order. In combination with AUSM + -up Thornber's modification provides too little damping when used without subgrid scale modelling. textcopyright 2013 Springer-Verlag Berlin Heidelberg.
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2.
  • Lejaeghere, Kurt, et al. (författare)
  • Reproducibility in density functional theory calculations of solids.
  • 2016
  • Ingår i: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 351:6280, s. 1415-1422
  • Tidskriftsartikel (refereegranskat)abstract
    • The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the reproducibility of such predictions. We report the results of a community-wide effort that compared 15 solid-state codes, using 40 different potentials or basis set types, to assess the quality of the Perdew-Burke-Ernzerhof equations of state for 71 elemental crystals. We conclude that predictions from recent codes and pseudopotentials agree very well, with pairwise differences that are comparable to those between different high-precision experiments. Older methods, however, have less precise agreement. Our benchmark provides a framework for users and developers to document the precision of new applications and methodological improvements.
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