Glass transition temperature notebook

By Benjamin P Haley1, Lorena Alzate-Vargas1

1. Purdue University

Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook

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Version 1.1 - published on 19 Oct 2017

doi:10.4231/D3FQ9Q74K cite this

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Abstract

This Jupyter notebook shows how to drive installed Rappture tools, launch HPC simulations, visualize results, and import Python modules (hubwf, Tgcalc) for research use.

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Researchers should cite this work as follows:

  • Benjamin P Haley; Lorena Alzate-Vargas (2017), "Glass transition temperature notebook," http://nanohub.org/resources/tgnb. (DOI: 10.4231/D3FQ9Q74K).

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