Work Description

Title: Equilibrium configurations of hard polygons near the melting transition Open Access Deposited

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Attribute Value
Methodology
  • We produced this data using hard particle Monte Carlo simulations at constant area. We executed simulations using HOOMD-blue versions 1.0 through 2.0 on the Oak Ridge Leadership Computing Facility Titan supercomputer.
Description
  • This dataset was generated for our work "Shape and symmetry determine two-dimensional melting transitions of hard regular polygons". The dataset includes simulation results for 13 different polygons (equilateral triangles through regular tetradecagons and the 4-fold pentille) at a variety of packing fractions near the isotropic fluid to solid phase transition. Each trajectory contains the final 4 frames of each simulation run we conducted at system sizes of over one million particles. For each shape, there is a JSON file that describes the vertices of the polygon and a number of simulation trajectory files in GSD ( https://bitbucket.org/glotzer/gsd) format. The trajectory files contain the positions and orientations of all the polygons at each frame, along with the simulation box size. The trajectory file names identify the packing fraction of that simulation run.
Creator
Depositor
  • glotzer@umich.edu
Contact information
Discipline
Resource type
Last modified
  • 04/02/2020
Published
  • 12/07/2018
DOI
  • https://doi.org/10.7302/Z2ST7MR5
License
To Cite this Work:
Engel, M., Glotzer, S. C., Anderson, J. A., Antonaglia, J., Millan, J. A. (2018). Equilibrium configurations of hard polygons near the melting transition [Data set], University of Michigan - Deep Blue Data. https://doi.org/10.7302/Z2ST7MR5

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This work is not a member of any user collections.

Files (Count: 14; Size: 12.3 GB)

Thumbnailthumbnail-column Title Original Upload Last Modified File Size Access Actions
README.md 2017-02-28 2018-12-07 1.62 KB Open Access
triangle.tar.gz 2017-02-28 2018-12-07 1.09 GB Open Access
square.tar.gz 2017-02-28 2018-12-07 1.11 GB Open Access
pentagon.tar.gz 2017-02-28 2018-12-07 452 MB Open Access
hexagon.tar.gz 2017-02-28 2018-12-07 277 MB Open Access
heptagon.tar.gz 2017-02-28 2018-12-07 842 MB Open Access
octagon.tar.gz 2017-02-28 2018-12-07 841 MB Open Access
nonagon.tar.gz 2017-02-28 2018-12-07 1.13 GB Open Access
decagon.tar.gz 2017-02-28 2018-12-07 1.14 GB Open Access
hendecagon.tar.gz 2017-02-28 2018-12-07 1.14 GB Open Access
dodecagon.tar.gz 2017-02-28 2018-12-07 970 MB Open Access
tridecagon.tar.gz 2017-02-28 2018-12-07 1.14 GB Open Access
tetradecagon.tar.gz 2017-02-28 2018-12-07 1.14 GB Open Access
4-fold-pentille.tar.gz 2017-02-28 2018-12-07 1.13 GB Open Access

Equilibrium configurations of hard polygons near the melting transition

Joshua A. Anderson, James Antonaglia, Jaime A. Millan, Michael Engel, Sharon C. Glotzer

Method

We produced this data using hard particle Monte Carlo simulations at constant area.
We executed simulations using HOOMD-blue versions 1.0 through 2.0 on the Oak Ridge Leadership Computing Facility Titan
supercomputer.

Description

This dataset was generated for our work "Shape and symmetry determine two-dimensional melting transitions of hard
regular polygons". The dataset includes simulation results for 13 different polygons (equilateral triangles
through regular tetradecagons and the 4-fold pentille) at a variety of packing fractions near the isotropic fluid
to solid phase transition. Each trajectory contains the final 4 frames of each simulation run we conducted at system
sizes of over one million particles.

How to use this data

Data for each shape is compressed in a bzipped tar file, and given the name of the polygon. When uncompressed,
each shape extracts into a separate directory with the name of the shape.

In each directory, there is a JSON file that describes the vertices of the polygon and a number of simulation trajectory
files in GSD (https://bitbucket.org/glotzer/gsd) format. The trajectory files contain the positions and orientations
of all the polygons at each frame, along with the simulation box size. The trajectory file names identify the packing
fraction of that simulation run.

The trajectory files are suitable to continue simulations in HOOMD-blue (https://glotzerlab.engin.umich.edu/hoomd-blue/),
and for independant analysis.

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