Related papers: Configurational Temperature in Membrane Simulation…
Recently linear dissipative models of the Boltzmann equation have been introduced. In this work, we consider the problem of constructiing suitable hydrodynamic approximations for such models where the mean velocity and the temperature of…
Generation of equilibrium configurations is the major obstacle for numerical investigation of the slow dynamics in supercooled liquid states. The parallel tempering (PT) technique, originally proposed for the numerical equilibration of…
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and some properties of water-methanol liquid mixture. The TIP4P/2005 and SPC/E water models are combined with the united atom TraPPE and the…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
A variety of models for the membrane-mediated interaction of particles in lipid membranes, mostly well-established in theoretical physics, is reviewed from a mathematical perspective. We provide mathematically consistent formulations in a…
In this paper, phase field models are developed for multi-component vesicle membranes with different lipid compositions and membranes with free boundary. These models are used to simulate the deformation of membranes under the elastic…
The notion of configuration temperature is extended to discontinuous systems by identifying the temperature as the nontrivial root of several integral equations regarding the distribution of the energy change upon configuration…
Parallel tempering, or replica exchange, is a popular method for simulating complex systems. The idea is to run parallel simulations at different temperatures, and at a given swap rate exchange configurations between the parallel…
We explore the effects of composition and temperature on the apparent molar volumes of species of water-methanol mixtures. Isothermal-isobaric molecular dynamics simulations are used with this purpose. Several combinations of models for…
The modeling of stellar spectra is pervasive in astronomy. Conventionally, the shapes of absorption lines are modeled by convolving thermal profiles (computed given some model stellar atmosphere and line list) with broadening kernels…
Dissipation coefficients are calculated in the adiabatic, near thermal equilibrium regime for a large class of renormalizable interaction configurations involving a two-stage mechanism, where a background scalar field is coupled to heavy…
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
Relations between the thermodynamics and dynamics of supercooled liquids approaching a glass transition have been proposed over many years. The potential energy surface of model liquids has been increasingly studied since it provides a…
A mesoscopic coarse-grain model for computationally-efficient simulations of biomembranes is presented. It combines molecular dynamics simulations for the lipids, modeled as elastic chains of beads, with multiparticle collision dynamics for…
Simulation results are presented to demonstrate electron temperature and electrical potential development in dilute and cold plasma development. The simulation method is a hybrid method which adopted fluid model for electrons due to their…
Linear programming is used as a standard tool for optimising unit commitment or power flows in energy supply systems. For heat supply systems, however, it faces a relevant limitation: For them, energy yield depends on the output…
We study, by means of adaptive mesh refinement hydro- and magnetohydrodynamical simulations that cover a wide range of scales (from kpc to sub-parsec), the dimension of the most dissipative structures and the injection scale of the…
We study the dissipative thermodynamics of vortex lines in layered superconductors within a simple string model in the dilute limit of negligible vortex interactions and compute the specific heat $C_v$ in presence of arbitrary dissipation.…
The limit of small entropy production is reached in relaxing systems long after preparation, and in stationary driven systems in the limit of small driving power. Surprisingly, for extended systems this limit is not in general the…
This study investigates the thermal properties of the repulsive Fermi-Hubbard model with chemical potential using variational quantum algorithms, crucial in comprehending particle behaviour within lattices at high temperatures in condensed…