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# Polymer glass configurations deformed using athermal quasi-static simple shear

dataset

posted on 2024-08-06, 23:29 authored by Amelia LiuAmelia Liu, Arabinda Bera, Matteo Baggioli, Timothy C Petersen, Timothy W. Sirk, Alessio ZacconeThe zipped folder contains the following files:

- "information_data.pdf" that details the simulation parameters used to create and deform the polymer glass models
- “pos.dump” – Contains the configurations for γ = 0 to γ = 0.25 with δγ = 10−3, totaling 251 configurations. These configurations are at T = 0 and represent AQS shear data.
- • “in.KGmodel” – Parameters for our model used in LAMMPS simulations.
- • “stress.XZ.dat” – Contains stress versus strain information in shaer plane of the system.
- “info slice.txt” – Contains information on the number of particles in the xz (shear) slices from y = −9 to y = 9, totaling 73 slices for each γ. Each slice has a width of ∆y = 2, and the central location of the slab y is incremented by 0.25. First 200 configurations are analysed and presented in the article. There are a total of (200 × 73) = 14600 lines.
- “xz plane/dis2d 98” – Non-affine displacement field of 2D slices at γ = 0.098 in the xz (shear) plane with a width of ∆y = 2 are provided.
- “xz plane/xx 98” – Interpolated data for each slice from y = −9 to y = 9, totaling 73 slices (y incremented by 0.25) for γ = 0.098. This interpolation is performed using the Python library “grid data” with method=“linear” on a square grid of 80×80 in the range [−10,10] for both x and z.
- “angle dissection/direction uniform N26.txt” – Contains the unit directions (uniformly distributed on a unit sphere) used to dissect our system.
- “angle dissection/gamma 98/angle2d j” (j = 1, . . . , 26) – The non-affine displacement field after dissecting alongthe direction corresponding to the j-th line of the data file “direction uniform N26.txt”.
- “angle dissection/gamma 98/info slice.txt”–The information of the number of particles within the slices.
- “angle dissection/gamma 98/xx j” (j = 1, . . . , 26) – The grid data of the non-affine displacement field data “angle2d j” after interpolation. For this case we use the 128 × 128 grid in the range [−16, 16] for both the directions in the plane.

## Funding

### Shanghai Municipal Science and Technology Major Project No.2019SHZDZX01

### Yangyang Development Fund

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