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written by Wolfgang Christian
The EJS Molecular Dynamics Demonstration model is constructed using the Lennard-Jones potential truncated at a distance of 3 molecular diameters. The motion of the molecules is governed by Newton's laws, approximated using the Verlet algorithm with the indicated Time step. For sufficiently small time steps dt, the system's total energy should be approximately conserved. Users can select various initial configurations using the drop down menu.

Ejs Molecular Dynamics Demonstration model was created using the Easy Java Simulations (Ejs) modeling tool.  It is distributed as a ready-to-run (compiled) Java archive.  Double clicking the  js_stp_md_MolecularDynamicsDemo.jar file will run the program if Java is installed.  Ejs is a part of the Open Source Physics Project and is designed to make it easier to access, modify, and generate computer models.  Additional Ejs models for statistical mechanics are available.  They can be found by searching ComPADRE for Open Source Physics, OSP, or Ejs.

Please note that this resource requires at least version 1.5 of Java.
View the supplemental documents attached to this resource (4)
View the source code document attached to this resource
Subjects Levels Resource Types
Thermo & Stat Mech
- Models
= Lennard-Jones Potential
- Upper Undergraduate
- Lower Undergraduate
- Instructional Material
= Interactive Simulation
Intended Users Formats Ratings
- Learners
- Educators
- application/java
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Access Rights:
Free access
Program released under GNU-GPL. Narrative is copyrighted.
License:
This material is released under a GNU General Public License Version 3 license.
Rights Holder:
Wolfgang Christian
PACSs:
01.50.hv
07.05.Tp
05.10.-a
Keyword:
molecular dynamics
Record Cloner:
Metadata instance created November 15, 2008 by Wolfgang Christian
Record Updated:
June 10, 2014 by Andreu Glasmann
Last Update
when Cataloged:
November 15, 2008
Other Collections:

Middle School Lesson

Author: Barbara Christian
Posted: August 25, 2012 at 5:30PM
Source: The Open Source Physics collection

My students really enjoy this lesson, and are surprised to learn what temperature is.

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AAAS Benchmark Alignments (2008 Version)

4. The Physical Setting

4E. Energy Transformations
  • 6-8: 4E/M4. Energy appears in different forms and can be transformed within a system. Motion energy is associated with the speed of an object. Thermal energy is associated with the temperature of an object. Gravitational energy is associated with the height of an object above a reference point. Elastic energy is associated with the stretching or compressing of an elastic object. Chemical energy is associated with the composition of a substance. Electrical energy is associated with an electric current in a circuit. Light energy is associated with the frequency of electromagnetic waves.

AAAS Benchmark Alignments (1993 Version)

4. THE PHYSICAL SETTING

E. Energy Transformations
  • 4E (9-12) #2.  Heat energy in a material consists of the disordered motions of its atoms or molecules. In any interactions of atoms or molecules, the statistical odds are that they will end up with less order than they began?that is, with the heat energy spread out more evenly. With huge numbers of atoms and molecules, the greater disorder is almost certain.

NSES Content Standards

Con.B: Physical Science
  • K-4: Properties of Objects & Materials
  • 5-8: Properties & Changes in Properties in Matter
  • 9-12: Structure & Properties of Matter
ComPADRE is beta testing Citation Styles!

Record Link
AIP Format
W. Christian, Computer Program MOLECULAR DYNAMICS DEMONSTRATION MODEL, Version 1.0 (2008), WWW Document, (http://www.compadre.org/Repository/document/ServeFile.cfm?ID=8301&DocID=905).
AJP/PRST-PER
W. Christian, Computer Program MOLECULAR DYNAMICS DEMONSTRATION MODEL, Version 1.0 (2008), <http://www.compadre.org/Repository/document/ServeFile.cfm?ID=8301&DocID=905>.
APA Format
Christian, W. (2008). Molecular Dynamics Demonstration Model (Version 1.0) [Computer software]. Retrieved September 30, 2014, from http://www.compadre.org/Repository/document/ServeFile.cfm?ID=8301&DocID=905
Chicago Format
Christian, Wolfgang. "Molecular Dynamics Demonstration Model." Version 1.0. http://www.compadre.org/Repository/document/ServeFile.cfm?ID=8301&DocID=905 (accessed 30 September 2014).
MLA Format
Christian, Wolfgang. Molecular Dynamics Demonstration Model. Vers. 1.0. Computer software. 2008. Java 1.5. 30 Sep. 2014 <http://www.compadre.org/Repository/document/ServeFile.cfm?ID=8301&DocID=905>.
BibTeX Export Format
@misc{ Author = "Wolfgang Christian", Title = {Molecular Dynamics Demonstration Model}, Month = {November}, Year = {2008} }
Refer Export Format

%A Wolfgang Christian
%T Molecular Dynamics Demonstration Model
%D November 15, 2008
%U http://www.compadre.org/Repository/document/ServeFile.cfm?ID=8301&DocID=905
%O 1.0
%O application/java

EndNote Export Format

%0 Computer Program
%A Christian, Wolfgang
%D November 15, 2008
%T Molecular Dynamics Demonstration Model
%7 1.0
%8 November 15, 2008
%U http://www.compadre.org/Repository/document/ServeFile.cfm?ID=8301&DocID=905


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Citation Source Information

The AIP Style presented is based on information from the AIP Style Manual.

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Molecular Dynamics Demonstration Model:

Is Based On Easy Java Simulations Modeling and Authoring Tool

The Ejs tool is needed to explore the computational model.

relation by Anne Cox

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