Abstract: Atomistic modeling can be used to predict the thermal transport properties of semiconductors, metals, and organic-inorganic heterostructures. After a brief introduction of the underlying thermal transport theory and simulation tools, three projects will be discussed. First, tuning the thermal conductivity of silicon thin films by introducing periodic holes. Second, predicting the electronic and phononic transport properties of metals. And third, controlling thermal transport through a self-assembled monolayer. In all cases, the predictions are validated against experimental measurements and are used to gain a deeper understanding of the underlying transport physics.

Bio: Alan McGaughey is a Professor of Mechanical Engineering at Carnegie Mellon University with a courtesy appointment in Materials Science & Engineering. He holds B.Eng., M.A.Sc., and Ph.D. degrees in mechanical engineering from McMaster University, the University of Toronto, and the University of Michigan. His research group has been supported by NSF, DOE, AFOSR, and DARPA. He was the Struminger Junior Faculty Fellow in 2009, won a Air Force Office of Scientific Research Young Investigator Program award, was a Harrington Faculty Fellow at the University of Texas at Austin, and won the Teare Teaching Award at CMU. He was voted “Professor of the Year” by the CMU mechanical engineering senior class in 2012, 2015, and 2017. He has given invited talks and seminars on modeling atomistic transport across the United States and in Canada, Chile, China, France, Japan, Korea, and Singapore.