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Monte Carlo simulations are widely employed to measure the physical properties of glass-forming liquids in thermal equilibrium. Combined with local Monte Carlo moves, the Metropolis algorithm can also be used to simulate the relaxation…

Statistical Mechanics · Physics 2024-09-23 Ludovic Berthier , Federico Ghimenti Frédéric van Wijland

We present an Eulerian vortex method based on the theory of flow maps to simulate the complex vortical motions of incompressible fluids. Central to our method is the novel incorporation of the flow-map transport equations for line elements,…

Graphics · Computer Science 2024-09-17 Sinan Wang , Yitong Deng , Molin Deng , Hong-Xing Yu , Junwei Zhou , Duowen Chen , Taku Komura , Jiajun Wu , Bo Zhu

A new Monte Carlo approach is proposed to investigate the fluid-solid phase transition of the polydisperse system. By using the extended ensemble, a reversible path was constructed to link the monodisperse and corresponding polydisperse…

Soft Condensed Matter · Physics 2008-07-08 Mingcheng Yang , Hongru Ma

We propose a new Monte Carlo scheme to study the late-time dynamics of a 2-dim hard sphere fluid, modeled by a tethered network of hard spheres. Fluidity is simulated by breaking and reattaching the flexible tethers. We study the diffusion…

Condensed Matter · Physics 2007-05-23 P. B. Sunil Kumar , Madan Rao

In this paper, we suggest a novel sampling method for Monte Carlo molecular simulations. In order to perform efficient sampling of molecular systems, it is advantageous to avoid extremely high energy configurations while also retaining the…

Computational Physics · Physics 2019-07-18 Katsuhiro Endo , Daisuke Yuhara , Kenji Yasuoka

The rational function approximation method, density functional theory, and NVT Monte Carlo simulation are used to obtain the density profiles of multicomponent hard-sphere mixtures near a planar hard wall. Binary mixtures with a size ratio…

Statistical Mechanics · Physics 2007-06-06 Alexandr Malijevsky , Santos B. Yuste , Andres Santos , Mariano Lopez de Haro

Monte Carlo methods play important part in modern statistical physics. The application of these methods suffer from two main difficulties.The first is caused by the relatively small number of particles that can participate in any numerical…

Statistical Mechanics · Physics 2007-05-23 A. Brandt , V. Ilyin

The behaviour of the one--dimensional random--forced Burgers equation is investigated in the path integral formalism, using a discrete space--time lattice. We show that by means of Monte Carlo methods one may evaluate observables, such as…

High Energy Physics - Lattice · Physics 2009-01-14 P. Düben , D. Homeier , K. Jansen , D. Mesterhazy , G. Münster , C. Urbach

The effect of rough walls on the phase behaviour of a confined liquid crystal (LC) fluid is studied using constant pressure Monte Carlo simulations. The LC is modelled as a fluid of soft ellipsoidal molecules and the rough walls are…

Soft Condensed Matter · Physics 2009-11-11 David L Cheung , Friederike Schmid

This work is concerned with the numerical investigation of the dynamics of stopping vortex formation in the uniform flow past a wedge mounted on a wall for channel Reynolds number $Re_c=1560$. The streamfunction-vorticity ($\psi$-$\omega$)…

Fluid Dynamics · Physics 2024-05-06 Jiten C Kalita

The behavior of the one-dimensional random-force-driven Burgers equation is investigated in the path integral formalism on a discrete space-time lattice. We show that by means of Monte Carlo methods one may evaluate observables, such as…

High Energy Physics - Lattice · Physics 2010-11-05 P. Düben , D. Homeier , K. Jansen , D. Mesterhazy , G. Münster

In this paper we establish a mathematical framework which may be used to design Monte-Carlo simulations for a class of time irreversible dynamic systems, such as incompressible fluid flows, including turbulent flows in wall-bounded regions,…

Fluid Dynamics · Physics 2022-10-11 Zhongmin Qian

Elastic systems that are spatially heterogeneous in their mechanical response pose special challenges for molecular simulations. Standard methods for sampling thermal fluctuations of a system's size and shape proceed through a series of…

Materials Science · Physics 2015-05-13 Sander Pronk , Phillip L. Geissler

We develop numerical multiscale methods for viscous boundary layer flow. The goal is to derive effective boundary conditions, or wall laws, through high resolution simulations localized to the boundary coupled to a coarser simulation in the…

Numerical Analysis · Mathematics 2021-10-14 Sean Carney , Björn Engquist

Many numerical studies of blood flow impose a rigid wall assumption due to the simplicity of its implementation compared to a full coupling to a solid mechanics model. In this paper, we present a localised method for incorporating the…

Fluid Dynamics · Physics 2021-08-20 J. W. S. McCullough , P. V. Coveney

We present a Markov Chain Monte Carlo algorithm based on the Metropolis algorithm for simulation of the flow of two immiscible fluids in a porous medium under macroscopic steady-state conditions using a dynamical pore network model that…

Fluid Dynamics · Physics 2016-12-20 Isha Savani , Santanu Sinha , Alex Hansen , Dick Bedeaux , Signe Kjelstrup , Morten Vassvik

In the present paper we consider the initial data, external force, viscosity coefficients, and heat conductivity coefficient as random data for the compressible Navier--Stokes--Fourier system. The Monte Carlo method, which is frequently…

Numerical Analysis · Mathematics 2023-04-04 Maria Lukacova -- Medvidova , Bangwei She , Yuhuan Yuan

We offer a new proposal for the Monte Carlo treatment of many-fermion systems in continuous space. It is based upon Diffusion Monte Carlo with significant modifications: correlated pairs of random walkers that carry opposite signs;…

Condensed Matter · Physics 2009-10-31 M. H. Kalos , Francesco Pederiva

The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulation run. We explain the physical background to these problems…

Statistical Mechanics · Physics 2009-11-07 N. B. Wilding

We develop a numerical method for simulation of incompressible viscous flows by integrating the technology of random vortex method with the core idea of Large Eddy Simulation (LES). Specifically, we utilize the filtering method in LES,…

Fluid Dynamics · Physics 2024-10-08 Zihao Guo , Zhongmin Qian