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Statistical Mechanics of Nonequilibrium Liquids
1. Introduction 2. Linear irreversible thermodynamics 3. The microscopic connection 4. The Green-Kubo relations 5. Linear response theory 6. Computer simulation algorithms 7. Nonlinear responseExpand
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The Fluctuation Theorem
The question of how reversible microscopic equations of motion can lead to irreversible macroscopic behaviour has been one of the central issues in statistical mechanics for more than a century. TheExpand
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The Nose–Hoover thermostat
We derive equilibrium fluctuation expressions for the linear response of many body systems thermostated by the Nose–Hoover thermostat. We show that in the thermodynamic limit this response is theExpand
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Experimental demonstration of violations of the second law of thermodynamics for small systems and short time scales.
We experimentally demonstrate the fluctuation theorem, which predicts appreciable and measurable violations of the second law of thermodynamics for small systems over short time scales, by followingExpand
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Homogeneous NEMD algorithm for thermal conductivity—Application of non-canonical linear response theory
Abstract We develop an extension of linear response theory for non-canonical, classical systems. This theory allows the design of a translationally invariant non-equilibrium simulation algorithm forExpand
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Research School of Chemistry, Australian National University, Canberra, Australian Capital Territory 0200, Australia~Received 18 November 1996!In this work we use nonequilibrium molecular dynamicsExpand
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Computer ‘‘experiment’’ for nonlinear thermodynamics of Couette flow
Nonequilibrium computer simulations reveal that the equation of state of fluids undergoing shear flow, varies with strain rate. This observation prompted the development of a nonlinear generalizationExpand
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Singularity free algorithm for molecular dynamics simulation of rigid polyatomics
Using a transformation of the rigid body equations of motion due to Evans [4], a new algorithm is presented for the molecular dynamics simulation of rigid polyatomic molecules. The algorithm consistsExpand
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