where s,z(u) is the local-equilibrium entropy, T the local-equilibrium absolute temperature, q the heat flux, A, Some of the most basic questions in nonequilibrium thermodynamics are those concerning the fundamental thermodynamic concepts, namely, the definition and meaning of entropy and of absolute temperature out of equilibrium. Most of the nonequilibrium thermodynamic theories have assumed ...

The thermal conductivity of solid argon in the classical limit has been calculated by equilibrium molecular dynamic simulations using the Green-Kubo formalism and a Lennard-Jones interatomic potential. Contrary to previous theoretical reports, we find that the computed thermal conductivities are in good agreement with experimental data. The computed values are also in agreement with the high-te...

This work investigates the modelization and simulation of liquid-vapor phase change in compressible flows. Each phase is modeled as a compressible fluid equipped with its own Equation of State (EOS). We suppose that inter-phase equilibrium processes in the medium operate at a short timescale compared to the other physical phenomena such as convection or thermal diffusion. This assumption provid...

A novel non-equilibrium multiscale dynamics (NEMSD) is proposed to simulate non-equilibrium thermal–mechanical processes. The model couples coarse-grain thermodynamics with a fine scale molecular dynamics. A Distributed Nośe-Hoover Thermostat Network is used, which regulates the temperature in each coarse scale Voronoi cell according to the finite element (FE) nodal temperature. The atoms in ea...

Abstract Even for large nonequilibrium systems, local equilibrium subsystems in the presence of strong inhomogeneities may be very small. Such situations typically arise either gradients temperature, velocity or pressure, transition zones between different phases. For small thermodynamic Euler equation macroscopic thermodynamics does not hold. One less implies one additional degree freedom, whi...

We study a discrete two-dimensional nonlinear system that allows for discrete breather solutions. We perform a spectral analysis of the lattice dynamics at thermal equilibrium and use a cooling technique to measure the amount of breathers at thermal equilibrium. Our results confirm the existence of an energy threshold for discrete breathers. The cooling method provides with a novel computationa...