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 1.3.2 - published on 10 Jul 2019

doi:10.21981/Y4G9-KQ47 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.

Cite this work

Researchers should cite this work as follows:

  • Benjamin P Haley, Lorena Alzate-Vargas (2019), "Glass transition temperature notebook," https://nanohub.org/resources/tgnb. (DOI: 10.21981/Y4G9-KQ47).

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Tags

  1. Amorphous Materials
  2. glass
  3. Jupyter notebooks
  4. LAMMPS
  5. molecular dynamics (MD)
  6. nano/bio
  7. Polymer Composites
  8. polymers
  9. transition temperature