This tool will enable the users to run thermal conductivity simulations on various Si/Ge structures by non-equilibrium MD with LAMMPS package. Pure Si/Ge bulks, pure Si/Ge square nanowires, or supperlattice Si/Ge nanolaminates and nanowires with different periodicity can be selected from the prebuilt structures. Also, users can create Si/Ge supperlattice structures with different sizes and the number of priods by their own. In addition to thermal conductivity, energies, temperature profiles, and atomic trajectories during the simulation will also be output.

Researchers should cite this work as follows:

• Keng-Hua Lin; Sean Sullivan; Mathew Joseph Cherukara; Alejandro Strachan; Tianli Feng; Xiulin Ruan; Bo Qiu (2011), "nanoMATERIALS nanoscale heat transport," https://nanohub.org/resources/nmstthermal. (DOI: 10.4231/D34Q7QQ1V).

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