Related papers: Hydrodynamics from dynamical non-equilibrium MD
Stochastic hydrodynamics is a central tool in the study of first order phase transitions at a fundamental level. Combined with sophisticated free energy models, e.g. as developed in classical Density Functional Theory, complex processes…
Small thermodynamic systems exhibit peculiar behavior different from that observed in long-scale systems. Non-equilibrium processes taking place in those systems are strongly influenced by the presence of fluctuations which can be large.…
Complex fluids exhibit structure on a wide range of length and time scales, and hierarchical approaches are necessary to investigate all facets of their often unusual properties. The study of idealized coarse-grained models at different…
We use a novel non-equilibrium algorithm to simulate steady-state fluid transport through a two-dimensional (2D) membrane due to a concentration gradient by molecular dynamics (MD) for the first time. We confirm that, as required by the…
Dissipative particle dynamics (DPD) and multi-particle collision (MPC) dynamics are powerful tools to study mesoscale hydrodynamic phenomena accompanied by thermal fluctuations. To understand the advantages of these types of mesoscale…
The interplay between symmetries and entanglement in out-of-equilibrium quantum systems is currently at the centre of an intense multidisciplinary research effort. Here we introduce a setting where these questions can be characterised…
In this paper, we design and analyze a Virtual Element discretization for the steady motion of non-Newtonian, incompressible fluids. A specific stabilization, tailored to mimic the monotonicity and boundedness properties of the continuous…
In self-gravitating stars, two dimensional or geophysical flows and in plasmas, long range interactions imply a lack of additivity for the energy; as a consequence, the usual thermodynamic limit is not appropriate. However, by contrast with…
We establish a correspondence between two very general paradigms for systems that persist away from thermal equilibrium. In the first paradigm, a nonequilibrium steady state (NESS) is maintained by applying fixed thermodynamic forces that…
We further probe the Discrete Boltzmann Modeling(DBM) of the single-component two phase flows or the liquid-vapor system. There are two kinds of nonequilibrium effects in the system. The first is the Mechanical NonEquilibrium(MNE). The…
We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…
Stochastic differential equations have proved to be a valuable governing framework for many real-world systems which exhibit ``noise'' or randomness in their evolution. One quality of interest in such systems is the shape of their…
Complex fluids in shear flow and biased dynamics in crowded environments exhibit counterintuitive features which are difficult to address both at theoretical level and by molecular dynamic simulations. To understand some of these features…
Dissipative particle dynamics (DPD) is an effective mesoscopic particle model with a lower computational cost than molecular dynamics because of the soft potentials that it employs. However, the soft potential is not strong enough to…
A recently introduced particle-based model for fluid dynamics with effective excluded volume interactions is analyzed in detail. The interactions are modeled by means of stochastic multiparticle collisions which are biased and depend on…
We construct a class of quantum stochastic models of reservoir driven many-particle systems that are the natural counterparts of certain extensively studied classical ones, which have been shown to exhibit good hydrodynamical behaviour. Our…
We consider a fermionic fluid in a non-equilibrium steady state where the fluctuation-dissipation theorem is not valid and fields conjugate to the hydrodynamic variables are explicitly required to determine response functions. We identify…
This article proposes a dynamical system modeling approach for the analysis of longitudinal data of self-regulated systems experiencing multiple excitations. The aim of such an approach is to focus on the evolution of a signal (e.g., heart…
This paper outlines a numerical algorithm that could be used for simulating full 3D dynamics of magnetic fluid droplet shapes in external magnetic fields, by solving boundary integral equations. The algorithm works with arbitrary droplet…
We propose a method for multi-scale hybrid simulations of molecular dynamics (MD) and computational fluid dynamics (CFD). In the method, usual lattice-mesh based simulations are applied for CFD level, but each lattice is associated with a…