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• W2474596138 abstract "Faceted shapes, such as polyhedra, are commonly found in systems of nanoscale, colloidal, and granular particles. Many interesting physical phenomena, like crystal nucleation and growth, vacancy motion, and glassy dynamics are challenging to model in these systems because they require detailed dynamical information at the individual particle level. Within the granular materials community the Discrete Element Method has been used extensively to model systems of anisotropic particles under gravity, with friction. We provide an implementation of this method intended for simulation of hard, faceted nanoparticles, with a conservative Weeks-Chandler-Andersen (WCA) interparticle potential, coupled to a thermodynamic ensemble. This method is a natural extension of classical molecular dynamics and enables rigorous thermodynamic calculations for faceted particles." @default.
• W2474596138 created "2016-07-22" @default.
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• W2474596138 date "2017-04-01" @default.
• W2474596138 modified "2023-10-16" @default.
• W2474596138 title "GPU accelerated Discrete Element Method (DEM) molecular dynamics for conservative, faceted particle simulations" @default.
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• W2474596138 doi "https://doi.org/10.1016/j.jcp.2017.01.014" @default.
• W2474596138 hasPublicationYear "2017" @default.
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