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The approach to the ergodic limit in Monte Carlo simulations is studied using both analytic and numerical methods. With the help of a stochastic model, a metric is defined that enables the examination of a simulation in both the ergodic and…

Chemical Physics · Physics 2009-11-06 J. P. Neirotti , D. L. Freeman , J. D. Doll

The macroscopic mechanical properties of colloidal particle gels strongly depend on the local arrangement of the powder particles. Experiments have shown that more heterogeneous microstructures exhibit up to one order of magnitude higher…

Soft Condensed Matter · Physics 2012-05-11 Iwan Schenker , Frank T. Filser , Markus Hütter , Ludwig J. Gauckler

Integral expressions are determined for the elastic displacement and stress fields due to stationary or moving dislocation loops in finite samples. These general expressions are valid for anisotropic media as well. Specifically for the…

Condensed Matter · Physics 2017-02-08 Rodrigo Arias

Jarzynski's equality (JE) allows us to compute free energy differences from distributions of work. In molecular dynamics simulations, the traditional way of constructing work distributions is to perform as many pulling simulations as…

Computational Physics · Physics 2012-05-07 Van Ngo

The relaxation of the distribution function of the electrons drifting under the influence of a homogeneous electric field in noble gases is known to take place over an extended spatial domain at `intermediate' values of the reduced electric…

Plasma Physics · Physics 2020-10-21 A. Albert , D. Bošnjaković , S. Dujko , Z. Donkó

We investigate the weakening of elastic materials through randomly distributed circles and cracks numerically and compare the results to predictions from homogenization theories. We find a good agreement for the case of randomly oriented…

Materials Science · Physics 2015-05-13 Robert Spatschek , Clemens Gugenberger , Efim Brener

The energy-momentum distribution of spatially homogeneous rotating spacetimes in the context of teleparallel theory of gravity is investigated. For this purpose, we use the teleparallel version of Moller prescription. It is found that the…

General Relativity and Quantum Cosmology · Physics 2008-11-26 M. Sharif , M. Jamil Amir

This work examines a discrete elastic energy system with local interactions described by a discrete second-order functional in the symmetric gradient and additional non-local random long-range interactions. We analyze the asymptotic…

Analysis of PDEs · Mathematics 2024-11-14 Patrick Dondl , Martin Heida , Simone Hermann

A simple model of inelastic hard-rods subject to a one-dimensional array of identical wells is introduced. The energy loss due to inelastic collisions is balanced by the work supplied by an external stochastic heat-bath. We explore the…

Materials Science · Physics 2009-11-10 Fabio Cecconi , Umberto Marini-Bettolo-Marconi , Fabiana Diotallevi , Andrea Puglisi

We introduce a new method to simulate the physics of rare events. The method, an extension of the Temperature Accelerated Molecular Dynamics, comes in use when the collective variables introduced to characterize the rare events are either…

Computational Physics · Physics 2017-09-13 Giovanni Ciccotti , Simone Meloni

J integral based criterion is widely used in elastic-plastic fracture mechanics. However, it is not rigorously applicable when plastic unloading appears during crack propagation. One difficulty is that the energy density with plastic…

Other Condensed Matter · Physics 2015-10-28 Si Xiao , HeLing Wang , Bin Liu

The relaxation modulus of a viscoelastic fluid can be decomposed into multiple Maxwell models and characterized by the relaxation spectrum for the relaxation time. It is empirically known that the logarithmic relaxation time is useful to…

Soft Condensed Matter · Physics 2025-09-03 Takashi Uneyama

This article proposes a weighted-variational model as an approximated surrogate model to lessen numerical complexity and lower the execution times of brittle fracture simulations. Consequently, Monte Carlo studies of brittle fractures…

Materials Science · Physics 2024-03-04 Luis Blanco-Cocom , Marcos A. Capistrán , Jaroslaw Knap , J. Andrés Christen

In this paper, I investigate more closely the recently proposed Free Energy Monte Carlo algorithm that is devised in particular for calculations where conventional Monte Carlo simulations struggle with ergodicity problems. The simplest…

Condensed Matter · Physics 2007-05-23 M. J. Thill

We investigate the time-evolution of elastoplastic materials reinforced by randomly distributed long-range interactions. Starting from a rate-independent system on a discrete spring lattice that combines local linearized elasticity,…

Analysis of PDEs · Mathematics 2025-09-15 Simone Hermann

We consider a linearly thermoelastic composite medium,which consists of a homogeneous matrix containing a statistically inhomogeneous random set of inclusions, when the concentration of the inclusions is a function of the coordinates…

Materials Science · Physics 2009-12-22 Valeriy A. Buryachenko

Elastic wave propagation is studied in a heterogeneous 2-D medium consisting of an elastic matrix containing randomly distributed circular elastic inclusions. The aim of this study is to determine the effective wavenumbers when the incident…

Classical Physics · Physics 2016-06-29 Mathieu Chekroun , Loïc Le Marrec , Bruno Lombard , Joël Piraux

We examine the probability distributions P(E,t) of the energy of a hard parton traveling in a partonic medium of constant density for a time t while undergoing elastic 2-to-2 pQCD interactions using a Monte-Carlo model. The form of these…

High Energy Physics - Phenomenology · Physics 2012-05-25 Jussi Auvinen , Thorsten Renk

In order to increase the efficiency of the computer simulation of biological molecules, it is very common to impose holonomic constraints on the fastest degrees of freedom; normally bond lengths, but also possibly bond angles. However, as…

Chemical Physics · Physics 2011-12-19 Pablo Echenique , Claudio N. Cavasotto , Pablo García-Risueño

Fluctuations of the instantaneous local Lagrangian strain $\epsilon_{ij}(\bf{r},t)$, measured with respect to a static ``reference'' lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic…

Condensed Matter · Physics 2009-10-31 Surajit Sengupta , Peter Nielaba , Madan Rao , K. Binder