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Numerical evidence for divergent Burnett coefficients.
1High Performance Computing Support Unit, The University of New South Wales, Sydney, New South Wales 2052, Australia.
Summary
Nonlinear Burnett coefficients for soft spheres may diverge. Molecular dynamics simulations of a Lennard-Jones fluid suggest these coefficients are infinite in the thermodynamic limit, unlike hard spheres.
Area of Science:
- Thermodynamics
- Fluid Dynamics
- Computational Physics
Background:
- Previous work established equilibrium expressions for nonlinear Burnett coefficients.
- A preliminary calculation for a 32-particle Lennard-Jones fluid was presented.
- Hard sphere models are known to exhibit infinite nonlinear Burnett coefficients.
Purpose of the Study:
- To determine if nonlinear Burnett coefficients are finite for soft spheres.
- To investigate the thermodynamic limit behavior of these coefficients for soft spheres.
Main Methods:
- Molecular dynamics simulations were employed.
- A Lennard-Jones fluid model was used.
- The third-order nonlinear Burnett coefficient was calculated.
Main Results:
- The third-order nonlinear Burnett coefficient was calculated for a Lennard-Jones fluid.
- Results indicate a divergence of this coefficient in the thermodynamic limit.
Conclusions:
- Nonlinear Burnett coefficients for soft spheres appear to diverge in the thermodynamic limit.
- This suggests a nonanalytic constitutive relation for soft sphere fluids, similar to hard spheres.