Dynamical properties and transport coefficients of one-dimensional Lennard-Jones fluids: A molecular dynamics study

摘要: The thermodynamics, structure, and transport coefficients, as defined by the Green–Kubo integrals, of one‐dimensional Lennard‐Jones fluid are evaluated for a wide range state points molecular dynamics computer simulation. These calculations performed first time thermal conductivity viscosity. We observe transition from hard‐rod behavior at low number density to harmonic‐spring in close‐packed limit. self‐diffusion coefficient decays with increasing finite limiting value. increases density, tending ∞ viscosity contrast maximizes intermediate zero limits.