Simulation based Thermal Design Framework for Accelerated Structure exploration (STEDFAST)

By Prabudhya Roy Roy Chowdhury1, Adam Sandor Garrett1, Colleen Reynolds, Xiulin Ruan1

1. Purdue University

Perform a genetic algorithm to optimize superlattice structures.

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Version 1.0 - published on 09 Aug 2018

doi:10.4231/D3JS9H991 cite this

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Abstract

The purpose of this tool is to optimize a Silicon-Germanium superlattice structure to have the lowest possible thermal conductivity. The tool does this by using Molecular Dynamics as the simulation tool in conjunction with a genetic algorithm, treating each structure as an individual, and the individual layers as the chromosomes. Inputs for structure include materials one and two with their respective lattice constants, the number of layers in the structure, and the supercell dimensions n x n x 1 where n is chosen. Inputs for the genetic algorithm are number of generations, and number of populations.

Credits

Thank you to Shashi Adiga for writing the initial version of the tool.

Sponsored by

Defense Advanced Research Projects Agency (DARPA) and the National Science Foundation (NSF)

Cite this work

Researchers should cite this work as follows:

  • Prabudhya Roy Roy Chowdhury; Adam Sandor Garrett; Colleen Reynolds; Xiulin Ruan (2018), "Simulation based Thermal Design Framework for Accelerated Structure exploration (STEDFAST)," http://nanohub.org/resources/stedfast. (DOI: 10.4231/D3JS9H991).

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