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nanoMATERIALS nanoscale heat transport

Non-equilibrium MD simulations of heat transport in nano-materials

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Version 1.0 - published on 31 Aug 2011

doi:10.4231/D34Q7QQ1V cite this

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    Prebuilt Si/Ge Superlattice Structures Input Selections SCREENSHOT #3 SCREENSHOT #4



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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.

Cite this work

Researchers should cite this work as follows:

  • Keng-Hua Lin; Sean Sullivan; Mathew Joseph Cherukara; Alejandro Strachan (2011), "nanoMATERIALS nanoscale heat transport," (DOI: 10.4231/D34Q7QQ1V).

    BibTex | EndNote, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.