Sampling Constraints in Average: The Example of Hugoniot Curves

DOI10.1093/AMRX/ABN004MaRDI QIDQ3605456zbMATH OpenOpenAlexFDO

Authors Jean-Bernard Maillet, Gabriel Stoltz

Publication date 24 February 2009

Published in Applied Mathematics Research eXpress (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/0807.0558

Mathematics Subject Classification ID

Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Irreversible thermodynamics, including Onsager-Machlup theory (82B35)

Abstract: We present a method for sampling microscopic configurations of a physical system distributed according to a canonical (Boltzmann-Gibbs) measure, with a constraint holding in average. Assuming that the constraint can be controlled by the volume and/or the temperature of the system, and considering the control parameter as a dynamical variable, a sampling strategy based on a nonlinear stochastic process is proposed. Convergence results for this dynamics are proved using entropy estimates.As an application, we consider the computation of points along the Hugoniot curve, which are equilibrium states obtained after equilibration of a material heated and compressed by a shock wave.

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