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Molecular Dynamics Exploration JS Model
written by Wolfgang Christian and Daniel Schroeder
The EJS Molecular Dynamics Exploration JavaScript Model shows the dynamics of simple atoms and molecules in a two-dimensional container. The force between the atoms is weakly attractive at short distances, but strongly repulsive when they touch. Use the simulation to explore phases of matter, emergent behavior, irreversibility, and thermal effects at the nanoscale.

Use the "Presets" drop down menu at the top of this simulation to explore pre-defined configurations.

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.

The Molecular Dynamics Exploration was developed by Wolfgang Christian at Davidson College using the Easy Java/JavaScript Simulation  (EjsS) modeling and authoring tool created by Francisco Esquembre.  This EjsS simulation is based on a pure JavaScript + HTML 5 simulation developed by Daniel V. Schroeder, Physics Department, Weber State University. Although EjsS is a Java program, it can create stand alone JavaScript programs that run in almost any PC or tablet.
4 supplemental documents are available
1 source code document is available
Subjects Levels Resource Types
Thermo & Stat Mech
- Kinetic and Diffusive Processes
= Kinetic Theory
- Models
= Lennard-Jones Potential
- Thermal Properties of Matter
= Pressure
= Temperature
- Lower Undergraduate
- Upper Undergraduate
- Instructional Material
= Interactive Simulation
Intended Users Formats Ratings
- Learners
- Educators
- text/html
- application/zip
- application/javascript
- application/epub+zip
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Access Rights:
Free access
Program released under GNU-GPL. Narrative is copyrighted.
License:
This material is released under a Creative Commons Attribution-Noncommercial-Share Alike 3.0 license.
Rights Holder:
Wolfgang Christian
PACSs:
01.50.hv
07.05.Tp
05.10.-a
Keyword:
molecular dynamics
Record Cloner:
Metadata instance created March 28, 2016 by Wolfgang Christian
Record Updated:
February 3, 2021 by Wolfgang Christian
Last Update
when Cataloged:
March 27, 2016

this is really good! excellent job

Author: lookang
Posted: April 8, 2016 at 3:49AM

thank you!

» reply

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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 and D. Schroeder, Computer Program MOLECULAR DYNAMICS EXPLORATION JS MODEL, Version 1.0 (2016), WWW Document, (https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13996&DocID=4382).
AJP/PRST-PER
W. Christian and D. Schroeder, Computer Program MOLECULAR DYNAMICS EXPLORATION JS MODEL, Version 1.0 (2016), <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13996&DocID=4382>.
APA Format
Christian, W., & Schroeder, D. (2016). Molecular Dynamics Exploration JS Model (Version 1.0) [Computer software]. Retrieved December 2, 2024, from https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13996&DocID=4382
Chicago Format
Christian, Wolfgang, and Daniel Schroeder. "Molecular Dynamics Exploration JS Model." Version 1.0. https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13996&DocID=4382 (accessed 2 December 2024).
MLA Format
Christian, Wolfgang, and Daniel Schroeder. Molecular Dynamics Exploration JS Model. Vers. 1.0. Computer software. 2016. 2 Dec. 2024 <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13996&DocID=4382>.
BibTeX Export Format
@misc{ Author = "Wolfgang Christian and Daniel Schroeder", Title = {Molecular Dynamics Exploration JS Model}, Month = {March}, Year = {2016} }
Refer Export Format

%A Wolfgang Christian %A Daniel Schroeder %T Molecular Dynamics Exploration JS Model %D March 27, 2016 %U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13996&DocID=4382 %O 1.0 %O text/html

EndNote Export Format

%0 Computer Program %A Christian, Wolfgang %A Schroeder, Daniel %D March 27, 2016 %T Molecular Dynamics Exploration JS Model %7 1.0 %8 March 27, 2016 %U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13996&DocID=4382


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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 Exploration JS Model:

Is Based On Easy Java Simulations Modeling and Authoring Tool

Use the Easy Java Simulations Modeling and Authoring Tool to edit and to explore the source code for the Molecular Dynamics Exploration JS Model.

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