Related papers: Non-equilibrium evaporation/condensation model
We first discuss the geometrical construction and the main mathematical features of the maximum-entropy-production/steepest-entropy-ascent nonlinear evolution equation proposed long ago by this author in the framework of a fully quantum…
Discrete gradient methods are a powerful tool for the time discretization of dynamical systems, since they are structure-preserving regardless of the form of the total energy. In this work, we discuss the application of discrete gradient…
We present a new hydrodynamic model for incompressible binary fluids that is thermodynamically consistent and non-isothermal. This model follows the generalized Onsager principle and Boussinesq approximation and preserves the volume of each…
We develop a general theory for describing phase coexistence between nonequilibrium steady states in Brownian systems, based on power functional theory (M. Schmidt and J.M. Brader, J. Chem. Phys. 138, 214101 (2013)). We apply the framework…
Metastable structures in macromolecular and colloidal systems are non-equilibrium states that often have long lifetimes and cause difficulties in simulating equilibrium. In order to escape from the long-lived metastable states, we propose a…
Entanglement in nonequilibrium systems is considered. A general definition for entanglement measure is introduced, which can be applied for characterizing the level of entanglement produced by arbitrary operators. Applying this definition…
In these lectures we give an overview of nonequilibrium stochastic systems. In particular we discuss in detail two models, the asymmetric exclusion process and a ballistic reaction model, that illustrate many general features of…
Spontaneous transitions between non-equilibrium patterns are characterised by hydrodynamic calculations of ideal straight roll steady state heat convection. The calculations are tested quantitatively against existing experimental data. It…
A quantum thermodynamic system can conserve non-commuting observables, but the consequences of this phenomenon on relaxation are still not fully understood. We investigate this problem by leveraging an observable-dependent approach to…
We develop a mathematical model for dynamic simulation of an alkaline electrolyzer plant. The plant includes the stack, a water recirculation system and hydrogen storage with compressor. We model each component of the system with mass and…
The non-equilibrium Green's function formalism for infinitely extended reservoirs coupled to a finite system can be derived by solving the equations of motion for a tight-binding Hamiltonian. While this approach gives the correct density…
This contribution deals with the modeling of collisional multicomponent magnetized plasmas in thermal and chemical nonequilibrium aiming at simulating and predicting magnetic reconnections in the chromosphere of the sun. We focus on the…
A system of diffusion-reaction equations coupled with a dissolution-precipitation model is discussed. We start by introducing a microscale model together with its homogenized version. In the present paper, we first derive the corrector…
In statistical mechanics, measuring the number of available states and their probabilities, and thus the system's entropy, enables the prediction of the macroscopic properties of a physical system at equilibrium. This predictive capacity…
We are interested in the numerical solution of nonsymmetric linear systems arising from the discretization of convection-diffusion partial differential equations with separable coefficients and dominant convection. Preconditioners based on…
The approach to equilibrium of a nondegenerate quantum system involves the damping of microscopic population oscillations, and, additionally, the bringing about of detailed balance, i.e. the achievement of the correct Boltzmann factors…
In this paper, a practicable simulation-free model order reduction method by nonlinear moment matching is developed. Based on the steady-state interpretation of linear moment matching, we comprehensively explain the extension of this…
Starting with the exact factorization of the molecular wavefunction, this paper presents the results from the numerical implementation in nonadiabatic molecular dynamics of the recently proposed bohmion method. Within the context of quantum…
We propose a novel framework for model-order reduction of hyperbolic differential equations. The approach combines a relaxation formulation of the hyperbolic equations with a discretization using shifted base functions. Model-order…
In this thesis I study the dynamics of some nonequilibrium systems, using both computer simulations and theoretical tools. In particular, the following topics are studied: (i) metastability in a nonequilibrium ferromagnetic system, (ii) the…