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On standardised moments of force distribution in simple liquids.

Jonathan UttersonRadek Erban
Published in: Physical chemistry chemical physics : PCCP (2022)
The force distribution of a tagged atom in a Lennard-Jones fluid in the canonical ensemble is studied with a focus on its dependence on inherent physical parameters: number density ( n ) and temperature ( T ). Utilising structural information from molecular dynamics simulations of the Lennard-Jones fluid, explicit analytical expressions for the dependence of standardised force moments on n and T are derived. Leading order behaviour of standardised moments of the force distribution are obtained in the limiting cases of small density ( n → 0) and low temperature ( T → 0), while the variations in the standardised moments are probed for general n and T using molecular dynamics simulations. Clustering effects are seen in molecular dynamics simulations and their effect on these standardised moments is discussed.
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