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Applied Mathematics Seminar
    
  
 
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Phil Attard
School of Chemistry, University of Sydney

Theory for Non-equilibrium Thermodynamics and Statistical Mechanics

Wednesday 23rd, August 14:05-14:55pm, Carslaw Lecture Theatre 373.

A theory for non-equilibrium thermodynamics and statistical mechanics is presented. This gives the non-equilibrium analogue of the Boltzmann probability distribution, and the generalization of entropy to dynamic states. It is shown that this so-called second entropy is maximized in the steady state, in contrast to the rate of production of the conventional entropy, which is \emph{not} an extremum. The relationships of the new theory to Onsager's regression hypothesis, Prigogine's minimal entropy production theorem, the Langevin equation, the formula of Green and Kubo, the Kawasaki distribution, and the non-equilibrium fluctuation and work theorems, are discussed. The theory is exemplified by the case of steady heat flow down an imposed temperature gradient. A Monte Carlo algorithm based upon the steady state probability density is summarized, and results for the thermal conductivity of a Lennard-Jones fluid are shown to be in agreement with known values.