✦ LIBER ✦

Microcanonical Monte Carlo simulation of the melting behaviour of small clusters

✍ Scribed by Malcolm J. Grimson

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 417 KB
Volume: 195
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)85915-w

No coin nor oath required. For personal study only.

✦ Synopsis

The ensemble dependence of the melting behaviour of small clusters composed of 13 and 55 particles with pairwise additive 12-6 Lennard-Jones interactions is investigated by means of Monte Carlo simulations alone. Microcanonical Monte Carlo simulations were performed using the Creutz algorithm and the results are directly compared with those obtained from within the canonical ensemble using the Metropolis algorithm. The caloric curves obtained from the two ensembles differ in the cluster melting transition region and are consistent with the results of molecular dynamics simulations.

📜 SIMILAR VOLUMES

Melting behaviors of icosahedral metal c

Melting behaviors of icosahedral metal clusters studied by Monte Carlo simulations

✍ Lee, Young Joo; Maeng, Jae Yeol; Lee, Eok-Kyun; Kim, Bongsoo; Kim, Sehun; Han, K 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 222 KB 👁 2 views

We present an atom-resolved analysis method that traces physical quantities such as the root-mean-square bond length fluctuation and coordination number for individual atoms as functions of temperature or time. This method is applied to explain the temperature-dependent behaviors of three types of N

Monte Carlo Simulation of Clustering in

Monte Carlo Simulation of Clustering in Solutions

✍ Dr. Jaroslav Nýavlt 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 278 KB 👁 1 views

Ab initio Monte Carlo Investigations of

Ab initio Monte Carlo Investigations of Small Lithium Clusters

✍ S. Srinivas; J. Jellinek 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 263 KB 👁 1 views

Monte Carlo calculation of the free ener

Monte Carlo calculation of the free energy of small monoatomic clusters

✍ A. Bonissent; B. Mutaftschiev 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 277 KB

Monte-Carlo Method for Simulations of Ri

Monte-Carlo Method for Simulations of Ring Polymers in the Melt

✍ Thomas Vettorel; Shang Yik Reigh; Do Y. Yoon; Kurt Kremer 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 309 KB

## Abstract A detailed analysis of the efficiency of a Monte‐Carlo (MC) method employing non‐local moves for simple lattice ring polymers is presented. While the introduction of kink‐translocation moves for linear chains results in the expected speedup by a factor of the order of the number of site

A Monte Carlo simulation for the catalyt

A Monte Carlo simulation for the catalytic oxidation of CO on DLA clusters

✍ J. Mai; A. Casties; W. von Niessen 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 587 KB

A Monte Carlo simulation for the heterogeneously catalyzed oxidation of CO on diffusion limited aggregation clusters is introduced. Kinetic phase transition points which appear in this reaction system are studied as a function of the system parameters. Both the 0 poisoning transition at y, and the C