Polystyrene

Project files

scripts: bash scripts used to transform original data to generate the outputs seen here
generated_files: intermediate statistics and files generated by the scripts
images: Final graphs and rendered molecular and free volume scene images shown below
original_files: original input params and sample configuration

Rendering of original polystyrene sample

Cavities in sample

Sample plus cavities

Free Volume Index (rendered from VACUUMMS-generated TIFF as input to Paraview)

Paraview TIFFScalar mapping to xray preset

Paraview TIFFScalar mapping to blue-green-orange preset

Cavity size distribution, count vs. volume

Cavity size distribution, count vs. diameter

Cavity clusters, number of clusters vs. span

Cavity size distribution, volume vs. radius

Cavity cluster distribution, number of clusters vs. radius of gyration

Cavity clusters, number vs. surface area

Much thanks to Janani Sampath and her research group for contributing the original simulated polystyrene configuration.