Articles with "nemd simulations" as a keyword



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Local equilibrium in liquid phase shock waves.

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Published in 2023 at "Physical review. E"

DOI: 10.1103/physreve.107.035108

Abstract: We have assessed the assumption of local thermodynamic equilibrium in a shock wave by comparing local thermodynamic data generated with nonequilibrium molecular dynamics (NEMD) simulations with results from corresponding equilibrium simulations. The shock had a… read more here.

Keywords: equilibrium; assumption; local equilibrium; shock ... See more keywords

Evaluation of Various Shear-Thinning Models for Squalane Using Traction Measurements, TEHD and NEMD Simulations

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Published in 2023 at "Lubricants"

DOI: 10.3390/lubricants11040178

Abstract: The accurate prediction of friction in highly loaded concentrated contacts is one of the most challenging aspects of thermal elastohydrodynamic (TEHD) simulation. The correct modelling of fluid behaviour on the macroscale, in particular non-Newtonian flow… read more here.

Keywords: shear thinning; nemd simulations; traction measurements; thinning models ... See more keywords