Title :
Molecular Dynamics Simulations of Strain Engineering and Thermal Transport in Nanostructured Materials
Author :
Park, Yumi ; Zhou, Ya ; Jhaveri, Janam ; Strachan, Alejandro
Abstract :
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.
Keywords :
molecular dynamics method; nanostructured materials; physics computing; atomic structure; free surfaces; molecular dynamics simulations; nanoscale materials; nanostructured materials; strain engineering; surface-to-volume ratio; thermal transport; thermomechanical response; Capacitive sensors; Computational modeling; Computer simulation; Design optimization; Equations; Material properties; Nanostructured materials; Nanostructures; Semiconductor materials; Thermal engineering; Molecular dynamics; materials modeling; semiconductor heterostructure; strain engineering; thermal conduction;
Journal_Title :
Computing in Science & Engineering
DOI :
10.1109/MCSE.2010.44
