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Molecular Dynamics Simulations of Strain Engineering and Thermal Transport in Nanostructured Materials
March/April 2010 (vol. 12 no. 2)
pp. 36-42
Yumi Park, Purdue University
Ya Zhou, Purdue University
Janam Jhaveri, Purdue University
Alejandro Strachan, Purdue University

Given the large surface-to-volume ratio of nanoscale and nanostructured materials and devices, their performance is often dominated by processes occurring at free surfaces or interfaces. By connecting a material's atomic structure and thermo-mechanical response, molecular dynamics is helping researchers better understand and quantify these processes.

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Index Terms:
Molecular dynamics, thermal conduction, strain engineering, semiconductor heterostructure, materials modeling
Citation:
Yumi Park, Ya Zhou, Janam Jhaveri, Alejandro Strachan, "Molecular Dynamics Simulations of Strain Engineering and Thermal Transport in Nanostructured Materials," Computing in Science and Engineering, vol. 12, no. 2, pp. 36-42, March-April 2010, doi:10.1109/MCSE.2010.44
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