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

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  • Shah, Rameez Farooq
  • Ahmad, Syed Rashid

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.

Suggested Citation

  • Shah, Rameez Farooq & Ahmad, Syed Rashid, 2025. "Molecular dynamics study of diffusion coefficient in Uniformly Heated Hard Sphere Granular Gas in three dimensions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 657(C).
    • Handle: RePEc:eee:phsmap:v:657:y:2025:i:c:s0378437124007301
    DOI: 10.1016/j.physa.2024.130221
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