Supplementary Data: Kapitza thermal resistance across individual grain boundaries in graphene

The data here are the numerical bi-crystalline graphene samples used in Ref. [1].

There are 13 folders named "1", "2", ..., "13". Each folder contains a file named "xyz.in". They are in the format of the "xyz.in" file used in the GPUMD package [2]. From folder "1" to "13", the tilt angle increases monotonically. See Table 1 of Ref. [1] for the values of the tilt angles.

[1] Khatereh Azizi, Petri Hirvonen, Zheyong Fan, Ari Harju, Ken R Elder, Tapio Ala-Nissila, and S Mehdi Vaez Allaei,
Kapitza thermal resistance across individual grain boundaries in graphene,
Carbon 125, 384 (2017).
https://doi.org/10.1016/j.carbon.2017.09.059
https://arxiv.org/abs/1709.09529

[2] Zheyong Fan, GPUMD,
https://github.com/brucefan1983/GPUMD
http://doi.org/10.5281/zenodo.995667