相关论文: Hamiltonian transformation to compute Thermo-osmot…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
A comprehensive scheme for the spatial discretisation of continuity equation, momentum advection and normal and shear stresses at the fluid interfaces is presented for numerically simulating the incompressible two phase flows based on the…
We apply a recently proposed novel thermostating mechanism to an interacting many-particle system where the bulk particles are moving according to Hamiltonian dynamics. At the boundaries the system is thermalized by deterministic and…
We consider macroscopic systems in weak contact with boundary reservoirs and under the action of external fields. We present an explicit formula for the Hamiltonian of such systems, from which we deduce the equation of motions, the action…
We study Casimir interactions between cylinders in thermal non-equilibrium, where the objects as well as the environment are held at different temperatures. We provide the general formula for the force, in a one reflection approximation,…
The meaning of temperature in nonequilibrium thermodynamics is considered by using a forced harmonic oscillator in a heat bath, where we have two effective temperatures for the position and the momentum, respectively. We invent a concrete…
Homogeneous anisotropic turbulence simulations are used to determine off-diagonal components of the Reynolds stress tensor and its parameterization in terms of turbulent viscosity and Lambda-effect. The turbulence is forced in an…
A MEMS-based sensing device is used to measure the normal and tangential stress fields at the base of a rough elastomer film in contact with a smooth glass cylinder in steady sliding. This geometry allows for a direct comparison between the…
A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface.…
There are problems with defining the thermodynamic limit of systems with long-range interactions; as a result, the thermodynamic behavior of these types of systems is anomalous. In the present work, we review some concepts from both…
Thermal fluctuations cause the local normal vectors of fluid interfaces to deviate from the vertical direction defined by the flat mean interface position. This leads to a nonzero mean value of the corresponding polar tilt angle which…
We study the shear induced fluidization of amorphous solids subjected to external loading by investigating the relaxation dynamics of the deformed states using computer simulation. A simple shear deformation is employed at constant rate to…
A scaling analysis is undertaken for the load balance in sliding friction in the hydrodynamic lubrication regime, with a particular emphasis on power-law shear-thinning typical of a structured liquid. It is argued that the shear-thinning…
A quantum analog of friction (understood as a completely positive, Markovian, translation-invariant and phenomenological model of dissipation) is known to be in odds with the detailed balance in the thermodynamic limit. We show that this is…
Thermo-osmotic flow around a microparticle in a liquid is characterized by observing and analyzing the distribution of tiny particles, i.e., tracers, near the microparticle's surface. First, an optical trapping laser is used to localize the…
We derive the dynamics of several rigid bodies of arbitrary shape in a 2-dimensional inviscid and incompressible fluid, whose vorticity field is given by point vortices. We adopt the idea of Vankerschaver et al. (2009) to derive the…
We consider a Hamiltonian system of particles, interacting through of a smooth pair potential. We look at the system on a space scale of order {\epsilon}^1, times of order {\epsilon}^2, and mean velocities of order {\epsilon}, with…
By considering a thermodynamic force as gauge field, we extend constitutive equations of Onsager's non-equilibrium thermodynamics to non-linear equations. In Onsager's non-equilibrium thermodynamics, the thermodynamic force corresponds to a…
Nonequilibrium molecular dynamics simulations often use mechanisms called thermostats to regulate the temperature. A Hamiltonian is presented for the case of the isoenergetic (constant internal energy) thermostat corresponding to a tunable…
The calculation of caloric properties such as heat capacity, Joule-Thomson coefficients and the speed of sound by classical force-field-based molecular simulation methodology has received scant attention in the literature, particularly for…