Glotzer:Modules

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Contents

Project Description

University of Michigan logo.jpg

Computer simulation has been critical to understanding complex phenomena in chemical engineering, however its inclusion in undergraduate education has been limited despite many freely available simulation toolkits. As the field of chemical engineering becomes increasingly more diverse, computer simulation becomes even more important as it can play a huge role in effectively communicating new material to students. The modules on this page are developed with the specific goal of making them easily integrateable into current chemical engineering curriculm and well integrated with the Soft Matter Wiki. Each module includes:

  • Simulation Description:
    • Describes the module including background information and links to appropriate content already existing in the wiki.
  • Simulation Model/Method:
    • Describes the simulation model and method in detail and links to appropriate content already developed in the wiki.
  • Instructions:
    • Includes detailed instructions and FAQ questions.
  • Tutorials:
    • Includes tutorials with known, reproducible results, sample calculations, and links to descriptions of analysis tools already existing in the wiki.
  • Sample Questions:
    • Includes sample questions developed for multiple levels including both undergraduate and advanced undergraduate (senior level).
  • Literature Examples:
    • Includes links to relevant papers from scientific journals, which will be periodically updated to keep examples cutting-edge.
  • Links to MatDL repository:


Information about the development and philosophy behind the Glotzilla Simulation Library can be found on matforge.org/glotzer.

Glotzilla Modules

MD Gas Module

MD Gas Module

Monatomic Ideal Gas or Lennard-Jones gas using Molecular Dynamics. The simulation displays the average pressure and temperature based on reduced unit variables of Argon or Krypton.

Lennard-Jones Fluid Module

Lennard-Jones Fluid Module Basic

Monatomic Lennard-Jones fluid using Molecular Dynamics. The simulation outputs the Radial Distribution Function and average temperature.


Lennard-Jones Fluid Module Advanced

Monatomic Lennard-Jones fluid using Brownian Dynamics. The simulation outputs the Radial Distribution Function, Mean-squared Displacement, kinetic and potential energy, pressure, and temperature.

Binary Mixture Module

Binary Mixture Module

Spinodal decomposition of a binary mixture using Molecular Dynamics and the Berendsen Thermostat.

Polymer Scaling Module

Polymer Scaling Module

Brownian Dynamics simulation of a single polymer in either good solvent (Weeks-Chandler-Andersen) or poor solvent (Lennard-Jones). The simulation outputs the Radius of Gyration and End to End distance.

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