Related papers: Configurational Temperature in Membrane Simulation…
This article proposes a new way to construct computationally efficient `wrappers' around fine scale, microscopic, detailed descriptions of dynamical systems, such as molecular dynamics, to make predictions at the macroscale `continuum'…
Dissipative particle dynamics (DPD) belongs to a class of models and computational algorithms developed to address mesoscale problems in complex fluids and soft matter in general. It is based on the notion of particles that represent…
We review the recent literature on the simulation of the structure and deformation of amorphous glasses, including oxide and metallic glasses. We consider simulations at different length and time scales. At the nanometer scale, we review…
A computational fluid model is developed to study waves and instabilities. A new technique involving initial perturbations in configuration space have been implemented to excite the plasma waves; i.e. the perturbations acting similar to a…
Bilayer plates are compound materials that exhibit large bending deformations when exposed to environmental changes that lead to different mechanical responses in the involved materials. In this article a new numerical method which is…
By combining different ideas, a general and efficient protocol to deal with discontinuous phase transitions at low temperatures is proposed. For small $T$'s, it is possible to derive a generic analytic expression for appropriate order…
Bimorph films curl in response to temperature. The degree of curvature typically varies linearly with temperature and in proportion to the difference in thermal expansion of the individual layers. In many applications, such as controlling a…
We study under which conditions an overdamped regime can be attained in the dynamic evolution of a quantum field configuration. Using a real-time formulation of finite temperature field theory, we compute the effective evolution equation of…
We investigate the dynamics brought on by an impulse perturbation in two infinite-range quantum Ising models coupled to each other and to a dissipative bath. We show that, if dissipation is faster the higher the excitation energy, the pulse…
We analyze the thermal fluctuations of particles that have a short-range dipolar attraction and a long-range repulsion. In an inhomogeneous particle density region, or "soft phase," filamentary patterns appear which are destroyed only at…
We investigate the applicability of complex Langevin dynamics to the three-dimensional XY model at finite chemical potential. To assess correctness, we introduce a new diagnostic based on the configurational temperature (or configurational…
We report on random errors in kinetic temperature measurements due to finite spatial resolution in particle tracking velocimetry. Using simulated data, we isolate the error caused by finite spatial resolution from other sources of…
Computer experiments have become ubiquitous in science and engineering. Commonly, runs of these simulations demand considerable time and computing, making experimental design extremely important in gaining high quality information with…
We study the effects of chiral constituent molecules on the macroscopic shapes attained by lipid bilayer membranes. Such fluid membranes are beautiful examples of statistical ensembles of random shapes, sometimes coupled to in-plane order.…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
Numerical hydrodynamics simulations of gases dominated by ideal, nondegenerate matter pressure and thermal radiation pressure in equilibrium entail finding the temperature as part of the evolution. Since the temperature is not typically a…
Unlike computation or the numerical analysis of differential equations, simulation does not have a well established conceptual and mathematical foundation. Simulation is an arguable unique union of modeling and computation. However,…
The linear response to temperature changes is derived for systems with overdamped stochastic dynamics. Holding both in transient and steady state conditions, the results allow to compute nonequilibrium thermal susceptibilities from…
The instability and periodic deformation of bilayer membranes during freezing processes are studied as a function of the difference of the shape energy between the high and the low temperature membrane states. It is shown that there exists…
We study the temperature dependence of discretization errors in nuclear lattice simulations. We find that for systems with strong attractive interactions the predominant error arises from the breaking of Galilean invariance. We propose a…