TITLE		Assistant Professor
AREAS		Nanoscale heat transfer, thermodynamics, transport, and reaction.
DEGREES		B.Eng. 1998, McMaster University; M.A.Sc. 2000, University of Toronto; Ph.D. 2004, University of Michigan.
WEBPAGE		http://ntpl.me.cmu.edu/
PHONE		412-268-9605
FAX		412-268-3348
EMAIL		mcgaughey@cmu.edu
ADDRESS		Carnegie Mellon University Mechanical Engineering 310 Scaife Hall 5000 Forbes Avenue Pittsburgh, PA 15213

As the components of electro-mechanical devices get smaller (dimensions are now approaching the nanoscale), the use of continuum theory to predict their behavior becomes questionable. The relevant processes cannot be observed experimentally due to their small length and time scales. Atomic-level simulations provide an opportunity to make such observations, and for the identification of important physical mechanisms. The atomic-level information can also be used to better understand macroscopically observable phenomena, such as conduction heat transfer and metal oxidation, from a fundamental perspective.

Professor McGaughey's research is focused on using numerical modeling techniques, notably molecular dynamics simulations, to understand the behavior of materials at the atomic level. While based in a mechanical engineering framework, the work also draws from materials science, physics, and chemistry. His previous efforts in this area have included an investigation of how the thermal conductivities of silica-based crystals are affected by their atomic structure, and the development of a method by which results from molecular dynamics simulations can be used to parameterize larger length-scale models.

Current projects include studying the relationship between the atomic structure and thermal transport properties of superlattices and thin films, determining how liquids interact with nanostructures such as carbon nanotubes, identifying the mechanisms involved in the nanoscale oxidation of copper, and studying nanodroplet evaporation.

Selected Publications

• J. A. Thomas and A. J. H. McGaughey, "Reassessing fast water transport through carbon nanotubes." Nanoletters 8 (2008) 2788-2793.

• E. S. Landry, M. I. Hussein, and A J. H. McGaughey, "Complex superlattice unit cell designs for reduced thermal conductivity." Physical Review B 77 (2008) 184302.

• J. A. Thomas and A. J. H. McGaughey, "Density, distribution, and orientation of water molecules inside and outside carbon nanotubes." Journal of Chemical Physics 128 (2008) 084715.

• E. S. Landry, S. Mikkilineni, M. Paharia, and A. J. H. McGaughey, "Droplet evaporation: A molecular dynamics investigation." Journal of Applied Physics 102 (2007) 124301.

• J. A. Thomas and A. J. H. McGaughey, "Effect of surface wettability on liquid density, structure, and diffusion near a solid surface," Journal of Chemical Physics 126, 034707, 2007.

• A. J. H. McGaughey, M. I. Hussein, E. S. Landry,  M. Kaviany, and G. M. Hulbert,  "Phonon Band Structure and Thermal Transport Correlation in a Layered Diatomic Crystal," Physical Review B 74, 104304 (2006).

• A. J. H. McGaughey and M. Kaviany, "Quantitative validation of the Boltzmann transport equation phonon thermal conductivity model under the single-mode relaxation time approximation," Physical Review B 69, 094303 (2004).

• A. J. H. McGaughey and M. Kaviany, "Thermal conductivity decomposition and analysis using molecular dynamics simulations. Part II. Complex silica crystals," International Journal of Heat and Mass Transfer 47, 1799-1816 (2004).