Sangyeop Lee's Research on ab initio Phonon Thermal Transport Published in Materials Today Physics


Sangyeop Lee is co-author of a recent article, “Survey of ab initio phonon thermal transport” in Materials Today Physics (vol. 7, 2018, pp. 106-120, DOI 10.1016/j.mtphys.2018.11.008). This article provides a comprehensive survey of first-principles Peierls-Boltzmann thermal transport as developed in the literature over the last decade, with particular focus on more recent advances. This review will demonstrate the wide variety of calculations accessible to first-principles transport methods (including dimensionality, pressure, and defects), highlight unusual properties and predictions that have been made, and discuss some challenges and behaviors that lie beyond.

Dr. Lee, who joined Pitt in 2015, studies nanoscale thermal transport in solid materials, and his research is currently focused on hydrodynamic phonon transport in graphitic materials and thermal transport in fully or partially disordered phase. His group utilizes Boltzmann transport theory, Green's function method, and molecular dynamics simulation, all of which use interatomic force constants calculated from density functional theory. He earned his BS and MS in mechanical and aerospace engineering from the Korea Advanced Institute of Science and Technology, and PhD in mechanical engineering from MIT. 

Written by Paul Kovach. 

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