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• W2094271775 abstract "This work proposes a coarse grained description of molecular systems based on mesoparticles representing several molecules, where interactions between mesoparticles are modelled by an interparticle potential of molecular type. Since strong non-equilibrium situations over a wide range of pressure and density are targeted, the internal compressibility of the mesoparticles has to be considered. This is done by introducing a dependence of the potential on the local environment of the mesoparticles. To define local densities, we resort to a three-dimensional Voronoi tessellation instead of standard local, spherical averages. As an example, a local density dependent potential is fitted to reproduce the Hugoniot curve of a model of nitromethane over a large range of pressures and densities." @default.
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• W2094271775 date "2014-03-20" @default.
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• W2094271775 title "Local density dependent potential for compressible mesoparticles" @default.
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• W2094271775 doi "https://doi.org/10.1063/1.4868547" @default.
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