Nanoscale Transport Phenomena Laboratory

PUBLICATIONS

Book Chapters

A. J. H. McGaughey and M. Kaviany, "Phonon transport in molecular dynamics simulations: Formulation and thermal conductivity prediction." Advances in Heat Transfer, Volume 39, 169-255 (Academic Press, 2006).

Journal Publications

2009

J. E. Turney, A. J. H. McGaughey, and C. H. Amon, "Assessing the applicability of quantum corrections to classical thermal conductivity predictions." Physical Review B 79 (2009) 224305.

J. A. Thomas and A. J. H. McGaughey, "Water flow in carbon nanotubes: Transition to subcontinuum flow." Physical Review Letters 102 (2009) 184502.

E. S. Landry and A. J. H. McGaughey, "Effect of interfacial species mixing on phonon transport in semiconductor superlattices." Physical Review B 79 (2009) 075316.

J. E. Turney, E. S. Landry, A. J. H. McGaughey, and C. H. Amon, "Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations." Physical Review B 79 (2009) 064301.

S. Shenogin, A. Bodapati, P. Keblinski, and A. J. H. McGaughey, "Predicting the thermal conductivity of inorganic and polymeric glasses: The role of anharmonicity." Journal of Applied Physics 105 (2009) 034906.

S. E. Jee, A J. H. McGaughey, and D. S. Sholl, "Molecular simulations of hydrogen and methane permeation through pore mouth modified zeolite membranes." Molecular Simulation 35 (2009) 70-78.

2008

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. Paper selected to appear in Virtual Journal of Nanoscale Science & Technology, May 19, 2008 issue.

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.

2007

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. Paper selected to appear in Virtual Journal of Nanoscale Science & Technology, January 7, 2008 issue.

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 (2007) 034707. Paper selected to appear in Virtual Journal of Nanoscale Science & Technology, February 5, 2007 issue.

B. L. Huang, A. J. H. McGaughey, and M. Kaviany, "Thermal conductivity of metal-organic framework 5 (MOF-5): Part I. Molecular dynamics simulations,"
International Journal of Heat and Mass Transfer 50 (2007) 393-404.

B. L. Huang, Z. Ni, A. Millward, A. J. H. McGaughey, C. Uher, M. Kaviany, and O. Yaghi "Thermal conductivity of metal-organic framework 5 (MOF-5): Part II. Measurement," International Journal of Heat and Mass Transfer 50 (2007) 405-411.

2004-2006

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 (2006) 104304.

A. J. H. McGaughey and M. Kaviany, "Observation and description of phonon interactions in molecular dynamics simulations," Physical Review B 71, 184305-1-11 (2005).

S. R. Phillpot and A. J. H. McGaughey, "Introduction to thermal transport," Materials Today, June 2005, 18-20.

J. D. Chung, A. J. H. McGaughey, and M. Kaviany, "Role of phonon dispersion in lattice thermal conductivity analysis," Journal of Heat Transfer 126, 376-380 (2004).

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, 094303-1-12 (2004).

A. J. H. McGaughey and M. Kaviany, "Thermal conductivity decomposition and analysis using molecular dynamics simulations. Part I. Lennard-Jones argon," International Journal of Heat and Mass Transfer 47, 1783-1798 (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).

2002-2003

A. J. H. McGaughey and C. A. Ward, ``Stability of a droplet in a finite system: Consideration of the solid-vapor interface," Journal of Applied Physics 93, 3619-3626 (2003).

A. J. H. McGaughey and C. A. Ward, "Temperature discontinuity at the surface of an evaporating droplet," Journal of Applied Physics 91, 6406-6415 (2002).

Selected Conference Papers

J. A. Thomas, R. M. Iutzi, and A. J. H. McGaughey, "Thermal conductivity of water/carbon nanotube composite systems: Insights from molecular dynamics simulations," ASME paper HT2009-88029, to be presented at 2009 ASME Summer Heat Transfer Conference, July 2009, San Francisco, CA.

J. E. Turney, A. J. H. McGaughey, and C. A. Amon, "Critically assessing the application of quantum corrections to classical thermal conductivity prediction," ASME paper HT2009-88129, to be presented at 2009 ASME Summer Heat Transfer Conference, July 2009, San Francisco, CA.

E. S. Landry and A. J. H. McGaughey, "Thermal resistance of silicon/germanium interfaces from lattice dynamics calculations," ASME paper HT2009-88025, to be presented at 2009 ASME Summer Heat Transfer Conference, July 2009, San Francisco, CA.

E. S. Landry, T. Matsuura, and A. J. H. McGaughey, "Predicting the thermal boundary resistance of isolated and closely-spaced Si/Si_1-xGe_x interfaces with molecular dynamics simulations," ASME paper IMECE2008-67484, presented at 2008 ASME IMECE, November 2008, Boston, MA.

A. J. H. McGaughey and J. J. Michalek, "Wiki-based learning in the mechanical engineering classroom," ASEE paper AC 2008-1627, presented at 2008 ASEE Annual Conference, June 2008, Pittsburgh, PA. Presentation slides.

A. J. H. McGaughey and J. Li, "Molecular dynamics prediction of the thermal resistance of solid-solid interfaces in superlattices," ASME paper IMECE2006-13590, presented at 2006 ASME IMECE, November 2006, Chicago, IL.

Theses

A. J. H. McGaughey, "Phonon transport in molecular dynamics simulations: formulation and thermal conductivity prediction." Ph.D. thesis, University of Michigan, 2004.

A. J. H. McGaughey, "The evaporation and stability of a droplet in a finite system." M.A.Sc. thesis, University of Toronto, 2000.

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