Article Dans Une Revue European Physical Journal E: Soft matter and biological physics Année : 2022

Efficient event-driven simulations of hard spheres

Résumé

Hard spheres are arguably one of the most fundamental model systems in soft matter physics, and hence a common topic of simulation studies. Event-driven simulation methods provide an efficient method for studying the phase behavior and dynamics of hard spheres under a wide range of different conditions. Here, we examine the impact of several optimization strategies for speeding up event-driven molecular dynamics of hard spheres, and present a lightweight simulation code that outperforms existing simulation codes over a large range of system sizes and packing fractions. The presented differences in simulation speed, typically a factor of five to ten, save significantly on both CPU time and energy consumption, and may be a crucial factor for studying slow processes such as crystal nucleation and glassy dynamics.

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hal-03870032 , version 1 (24-11-2022)

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Frank Smallenburg. Efficient event-driven simulations of hard spheres. European Physical Journal E: Soft matter and biological physics, 2022, 45 (3), pp.22. ⟨10.1140/epje/s10189-022-00180-8⟩. ⟨hal-03870032⟩
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