Molecular Dynamics, Smooth Particle Applied Mechanics, and Clausius' Inequality

Nonequilibrium Molecular Dynamics requires an extension of Newtonian and Hamiltonian mechanics. This new extended mechanics includes Gauss' and Nosé's thermostatted equations of motion. Here I review the past 20 years' history of the various formulations, solutions, interpretations, and further extensions of these "new" motion equations. I emphasize the fractal nature of the resulting phase-space distributions. I describe the connections of these fractal distributions to irreversibility, to time-symmetry breaking (from reversible motion equations), and to entropy production and the Second Law, far from equilibrium.

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Molecular Dynamics, Smooth Particle Applied Mechanics, and Clausius' Inequality

Abstract: Recent developments in molecular dynamics furnish new interconnections among three classical fields: particle mechanics, continuum mechanics, and thermodynamics. The resulting links clarify the importance of Lyapunov instability to irreversibility.

Cited by 2 publications

References 4 publications

The second law of thermodynamics and multifractal distribution functions: Bin counting, pair correlations, and the Kaplan–Yorke conjecture

The second law of thermodynamics and multifractal distribution functions: Bin counting, pair correlations, and the Kaplan–Yorke conjecture

Nonequilibrium Molecular Dynamics: Reversible Irreversibility from Symmetry Breaking, Thermostats, Entropy Production, and Fractals

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