Molecular dynamics study of diffusion coefficient in Uniformly Heated Hard Sphere Granular Gas in three dimensions

Rameez Farooq Shah and Syed Rashid Ahmad

Physica A: Statistical Mechanics and its Applications, 2025, vol. 657, issue C

Abstract: This study presents a molecular dynamics simulation of an inelastic gas system using an event-driven algorithm. The model incorporates a coefficient of restitution of less than one to govern molecular collisions and employs a thermostat mechanism introducing Gaussian white noise to maintain system temperature. We investigate the behavior of a Uniformly Heated Hard Sphere Granular Gas, focusing on the relationship between the coefficient of restitution and the self-diffusion coefficient, as well as the temporal evolution of Mean Square Displacement. Initially, the system’s kinetic energy decreases but eventually reaches a non-equilibrium steady state. Our findings reveal that higher restitution coefficients result in slightly larger particle displacements, likely due to enhanced energy retention post-collision. Counterintuitively, we observe that the diffusion coefficient decreases as the restitution coefficient increases. This research contributes to our understanding of granular gas dynamics and non-equilibrium thermodynamics.

Keywords: Granular gas; Event driven molecular dynamics; Haff’s law; Diffusion coefficient (search for similar items in EconPapers)
Date: 2025
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:657:y:2025:i:c:s0378437124007301

DOI: 10.1016/j.physa.2024.130221

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