HS-WCA-LJ Monte Carlo Model
written by
Fernando Silva Fernandes
The HS-WCA-LJ Monte Carlo Model performs simultaneous canonical Monte Carlo (MC) simulations of 108, 256 or 500 particles interacting through the hard sphere (HS), the Weeks, Chandler and Andersen (WCA) and the Lennard-Jones (LJ) pair potentials. It was inspired by the review of Chandler, Weeks and Anderson on WCA theory, illustrating that "the attractive interactions help fix the volume of the system, but the arrangements and motions of molecules within that volume are determined primarily by the local packing and steric effects produced by the repulsive forces". The radial distribution functions for the three systems are plotted after every MC cycle, at densities and temperatures chosen by the user, and the data Tables display thermodynamic results from the LJ and WCA potentials. The thermodynamics of the HS system was addressed to another application cataloged at Open Source Physics.
The objective of this application is: (i) to illustrate the canonical MC method with three different systems;(ii) to probe the densities and temperatures at which the HS and WCA potentials approach the structure(defined by the radial distribution functions) of the LJ system, regarding their use in perturbation theory. The HS-WCA-LJ Monte Carlo Model was developed using the Easy Java Simulations (EJS) modeling tool. It is distributed as a ready-to-run (compiled) Java archive. Double clicking the jar file will run the program if Java is installed. You can modify this simulation if you have EJS installed by right-clicking within the map and selecting "Open Ejs Model" from the pop-up menu item. Please note that this resource requires at least version 1.6 of Java (JRE).
1 supplemental document is available
HS-WCA-LJ Monte Carlo Model
The source code zip archive contains an XML representation of the HS-WCA-LJ Monte Carlo Model. Unzip this archive in your EJS workspace to compile and run this model using EJS. download 56kb .zip Last Modified: July 4, 2014 previous versions
Radial disctibution jump
Author: Wolfgang While using the program with 500 particles, reduced density of 0.3, reduced temperature of 0.5, and maximum movement for LJ particles of 0.2, there is a jump in the radial distribution plot around 300 cycles and the first peak never stops. I was wondering if this was supposed to happen or if there was a problem with the program.
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Re: Radial disctibution jump
Author: Wolfgang Dear Anthony,
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<a href="http://www.compadre.org/portal/items/detail.cfm?ID=12657">Fernandes, Fernando Silva. "HS-WCA-LJ Monte Carlo Model."</a>
AIP Format
F. Fernandes, Computer Program HS-WCA-LJ MONTE CARLO MODEL (2013), WWW Document, (http://www.compadre.org/Repository/document/ServeFile.cfm?ID=12657&DocID=3234).
AJP/PRST-PER
F. Fernandes, Computer Program HS-WCA-LJ MONTE CARLO MODEL (2013), <http://www.compadre.org/Repository/document/ServeFile.cfm?ID=12657&DocID=3234>.
APA Format
Fernandes, F. (2013). HS-WCA-LJ Monte Carlo Model [Computer software]. Retrieved August 29, 2016, from http://www.compadre.org/Repository/document/ServeFile.cfm?ID=12657&DocID=3234
Chicago Format
Fernandes, Fernando Silva. "HS-WCA-LJ Monte Carlo Model." http://www.compadre.org/Repository/document/ServeFile.cfm?ID=12657&DocID=3234 (accessed 29 August 2016).
MLA Format
Fernandes, Fernando Silva. HS-WCA-LJ Monte Carlo Model. Computer software. 2013. Java (JRE) 1.6. 29 Aug. 2016 <http://www.compadre.org/Repository/document/ServeFile.cfm?ID=12657&DocID=3234>.
BibTeX Export Format
@misc{
Author = "Fernando Silva Fernandes",
Title = {HS-WCA-LJ Monte Carlo Model},
Month = {March},
Year = {2013}
}
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%A Fernando Silva Fernandes
EndNote Export Format
%0 Computer Program Disclaimer: ComPADRE offers citation styles as a guide only. We cannot offer interpretations about citations as this is an automated procedure. Please refer to the style manuals in the Citation Source Information area for clarifications.
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The AIP Style presented is based on information from the AIP Style Manual. The APA Style presented is based on information from APA Style.org: Electronic References. The Chicago Style presented is based on information from Examples of Chicago-Style Documentation. The MLA Style presented is based on information from the MLA FAQ. HS-WCA-LJ Monte Carlo Model:
Is Based On
Easy Java Simulations Modeling and Authoring Tool
The Easy Java Simulations Modeling and Authoring Tool is needed to explore the computational model used in the HS-WCA-LJ Monte Carlo Model. relation by Wolfgang ChristianKnow of another related resource? Login to relate this resource to it. |
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