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A lattice gas model of adsorption inside cylindrical pores is evaluated with Monte Carlo simulations. The model incorporates two kinds of site: (a line of) ``axial'' sites and surrounding ``cylindrical shell'' sites, in ratio 1:7. The…

Statistical Mechanics · Physics 2009-11-10 Raluca A. Trasca , M. Mercedes Calbi , Milton W. Cole , Jose L. Riccardo

We propose an efficient method for Monte Carlo simulation of quantum lattice models. Unlike most other quantum Monte Carlo methods, a single run of the proposed method yields the free energy and the entropy with high precision for the whole…

Statistical Mechanics · Physics 2009-11-10 Chiaki Yamaguchi , Naoki Kawashima , Yutaka Okabe

We study a one-dimensional two-component Fermi gas in a harmonic trapping potential using finite temperature lattice quantum Monte Carlo methods. We are able to compute observables in the canonical ensemble via an efficient projective…

Quantum Gases · Physics 2023-09-14 Felipe Attanasio , Marc Bauer , Renzo Kapust , Jan M. Pawlowski

The Monte Carlo with Absorbing Markov Chains (MCAMC) method is introduced. This method is a generalization of the rejection-free method known as the $n$-fold way. The MCAMC algorithm is applied to the study of the very low-temperature…

Statistical Mechanics · Physics 2009-11-07 M. A. Novotny

The influence of random site dilution on the critical properties of the two-dimensional Ising model on a square lattice was explored by Monte Carlo simulations with the Wang-Landau sampling. The lattice linear size was $L = 20-120$ and the…

Statistical Mechanics · Physics 2008-07-02 I. A. Hadjiagapiou , A. Malakis , S. S. Martinos

A new finite-size scaling approach based on the transfer matrix method is developed to calculate the critical temperature of anisotropic two-layer Ising ferromagnet, on strips of r wide sites of square lattices. The reduced internal energy…

Statistical Mechanics · Physics 2007-05-23 M. Ghaemi , M. Ghannadi , B. Mirza

Boltzmann sampling based on Metropolis algorithm has been extensively used for simulating a canonical ensemble. An estimate of a mechanical property, like energy, of an equilibrium system, can be made by averaging over a large number…

Statistical Mechanics · Physics 2017-10-04 K P N Murthy

A new graphical method is developed to calculate the critical temperature of 2- and 3-dimensional Ising models as well as that of the 2-dimensional Potts models. This method is based on the transfer matrix method and using the limited…

Chemical Physics · Physics 2007-05-23 M. Ghaemi , G. A. Parsafar , M. Ashrafizaadeh

We use improved Monte-Carlo algorithms to study the antiferromagnetic 2D-Ising model with competing interactions $J_1$ on nearest neighbour and $J_2$ on next-nearest neighbour bonds. The finite-temperature phase diagram is divided by a…

Statistical Mechanics · Physics 2009-02-17 A. Kalz , A. Honecker , S. Fuchs , T. Pruschke

This discussion serves as an introduction to the use of Monte Carlo simulations as a useful way to evaluate the observables of a ferromagnet. Key background is given about the relevance and effectiveness of this stochastic approach and in…

Statistical Mechanics · Physics 2008-03-04 Jacques Kotze

In Monte Carlo calculations of expectation values in lattice quantum field theories, the stochastic variance of the sampling procedure that is used defines the precision of the calculation for a fixed number of samples. If the variance of…

High Energy Physics - Lattice · Physics 2022-12-07 Cagin Yunus , William Detmold

Entropy is a central concept in physics, but can be challenging to calculate even for systems that are easily simulated. This is exacerbated out of equilibrium, where generally little is known about the distribution characterizing simulated…

Statistical Mechanics · Physics 2024-05-09 Samuel D. Gelman , Guy Cohen

A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc to derive the ensemble properties as a function of…

Materials Science · Physics 2022-11-24 Andrew Novick , Quan Nguyen , Roman Garnett , Eric Toberer , Vladan Stevanović

The principle and the efficiency of the Monte Carlo transfer-matrix algorithm are discussed. Enhancements of this algorithm are illustrated by applications to several phase transitions in lattice spin models. We demonstrate how the…

Condensed Matter · Physics 2009-10-28 M. P. Nightingale , H. W. J. Bloete

Importance sampling is a Monte Carlo method which designs estimators of expectations under a target distribution using weighted samples from a proposal distribution. When the target distribution is complex, such as multimodal distributions…

Methodology · Statistics 2026-02-04 Anas Cherradi , Yazid Janati , Alain Durmus , Sylvain Le Corff , Yohan Petetin , Julien Stoehr

Calculating thermodynamic potentials and observables efficiently and accurately is key for the application of statistical mechanics simulations to materials science. However, naive Monte Carlo approaches, on which such calculations are…

Statistical Mechanics · Physics 2021-07-15 James Damewood , Daniel Schwalbe-Koda , Rafael Gomez-Bombarelli

It is shown that the von Neumann entropy, a measure of quantum entanglement, does have its classical counterpart in thermodynamic systems, which we call partial entropy. Close to the critical temperature the partial entropy shows perfect…

Strongly Correlated Electrons · Physics 2009-11-11 Junpeng Cao , Xiaoling Cui , Zhang Qi , Wengang Lu , Qian Niu , Yupeng Wang

We apply a new entropic scheme to study the critical behavior of the square-lattice Ising model with nearest- and next-nearest-neighbor antiferromagnetic interactions. Estimates of the present scheme are compared with those of the…

Statistical Mechanics · Physics 2016-08-31 A. Malakis , P. Kalozoumis , N. Tyraskis

For the 2D Ising model, we analyzed dependences of thermodynamic characteristics on number of spins by means of computer simulations. We compared experimental data obtained using the Fisher-Kasteleyn algorithm on a square lattice with…

Disordered Systems and Neural Networks · Physics 2020-02-04 Boris V. Kryzhanovsky , Magomed Yu. Malsagov , Iakov M. Karandashev

We consider a two dimensional Kondo lattice model with exchange J and hopping t in which three out of four impurity spins are removed in a regular way. At the particle-hole symmetric point the model may be studied with auxiliary field…

Strongly Correlated Electrons · Physics 2013-05-29 F. F. Assaad