Molecular dynamics simulation of the dynamics of supercooled silica
نویسندگان
چکیده
منابع مشابه
Simulation of the Dynamics of Supercooled Silica
We present the results of a large scale computer simulation of su-percooled silica. We find that at high temperatures the diffusion constants show a non-Arrhenius temperature dependence whereas at low temperature this dependence is also compatible with an Arrhe-nius law. We demonstrate that at low temperatures the intermediate scattering function shows a two-step relaxation behavior and that it...
متن کاملInvestigation of Melting by Molecular Dynamics Simulation
The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...
متن کاملMolecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys
In this study the operations of melting of Au15Ag40 nanoalloy have been studied using the molecular dynamic simulations through the Gupta multiparticle potential and the nonergodicity of simulations is eliminated by the multiple histogram method. The melting characteristics are determined by the analysis of variations in the potential energy. The calculations indicate that the melting of Au15Ag...
متن کاملMolecular Dynamics Simulation of Vitreous Silica Structures
Molecular dynamics (MD) simulations can be used to gain insights into the atomic level structure of glasses not easily accessible to experiment. However, to reliably obtain accurate results it is essential to chose the proper force fields (FF), the proper length of the simulation cell, and the proper cooling cycle to generate the 300K structure from the melt. Herein we establish guidelines for ...
متن کاملMolecular dynamics simulation of the supercooled Al melt on GPUs
The method of molecular dynamics (MD) is widely used to study static and dynamic properties of the condensed matter [1]. In particular an approach to study the relaxation of metastable states is developed [2]. These states play essential role in the impulse loading processes such as shock compression, laser ablation, etc. Herewith we report on simulation technique and results for crystallizatio...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Philosophical Magazine B
سال: 1998
ISSN: 1364-2812,1463-6417
DOI: 10.1080/13642819808204955