Related papers: NVU dynamics. II. Comparing to four other dynamics
The physical behavior of glass-forming liquids presents complex features of both dynamic and thermodynamic nature. Some studies indicate the presence of thermodynamic anomalies and of crossovers in the dynamic properties, but their origin…
We study a novel alternative approach for the computation of transport coefficients at mesoscales. While standard nonequilibrium molecular dynamics (NEMD) approaches fix the forcing and measure the average induced flux in the system driven…
This paper is the second in a series devoted to constructing stochastic motions for the two-dimensional $N$-body delta-Bose gas for all integers $N\geq 3$ and establishing the associated Feynman-Kac-type formulas. The main results here…
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…
An approach to non-adiabatic dynamics of atoms in molecular and condensed matter systems under general non-equilibrium conditions is proposed. In this method interaction between nuclei and electrons is considered explicitly up to the second…
The dynamics of viscoelastic fluids are governed by a memory function, essential yet challenging to compute, especially when diffusion faces boundary restrictions. We propose a computational method that captures memory effects by analyzing…
The stochastic dynamics of micron and nanoscale cantilevers immersed in a viscous fluid are quantified. Analytical results are presented for long slender cantilevers driven by Brownian noise. The spectral density of the noise force is not…
In the continuum flow regime, the Navier-Stokes equations are usually used for the description of gas dynamics. On the other hand, the Boltzmann equation is applied for the rarefied gas dynamics. Both equations are constructed from modeling…
Results from the state-of-the-art molecular dynamics simulations are presented for both equilibrium and nonequilibrium dynamics following vapor-liquid transition in a single component Lennard-Jones system. We have fixed the overall density…
Hydrodynamic interactions play an important role in many areas of soft matter science. In simulations with implicit solvent, various techniques such as Brownian or Stokesian dynamics explicitly include hydrodynamic interactions a posteriori…
We develop two-dimensional Brownian dynamics simulations to examine the motion of disks under thermal fluctuations and Hookean forces. Our simulations are designed to be experimental-like, since the experimental conditions define the…
In order to address the difficulties of classical fluid kinematics in describing vorticity and the paradox of linear correlation between viscous force and vorticity in the Navier-Stokes equations, the study examines the inherent…
The numerical integration of the Nose-Hoover dynamics gives a deterministic method that is used to sample the canonical Gibbs measure. The Nose-Hoover dynamics extends the physical Hamiltonian dynamics by the addition of a "thermostat"…
We analyze the transport properties of a low density ensemble of identical macroscopic particles immersed in an active fluid. The particles are modeled as inelastic hard spheres (granular gas). The non-homogeneous active fluid is modeled by…
In relativistic kinetic theory, the one-particle distribution function is approximated by an asymptotic perturbative power series in Knudsen number which is divergent. For the Bjorken flow, we expand the distribution function in terms of…
In the current work we construct a multimolecule random process which leads to the Boltzmann equation in the appropriate limit, and which is different from the deterministic real gas dynamics process. We approximate the statistical…
Using the recently developed covariant Ito-Langevin dynamics, we develop a non-equilibrium thermodynamic theory for small systems coupled to multiplicative noises. The theory is based on Ito-calculus, and is fully covariant under…
We introduce a description of the collective transverse dynamics of charged (proton) beams in the stability regime by suitable classical stochastic fluctuations. In this scheme, the collective beam dynamics is described by time--reversal…
On the basis of the Navier-Stokes equations we develop the statistical theory of many space-time correlation functions of velocity differences. Their time dependence is {\em not} scale invariant: $n$-order correlations functions exhibit…
An electrohydrodynamic (EHD) flow in a point-to-ring corona configuration is investigated experimentally, analytically and via a multiphysics numerical model. The interaction between the accelerated ions and the neutral gas molecules is…