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J. Woods Halley

TATEH 130-15 (office), 624-0395
SHEPLAB 496 (lab)
woods @ woods1.spa.umn.edu • curriculum vitae

halley.jpg

Bush Fellowship, 1983-84, IBM Paul J. Flory Sabbatical, 1987,Fellow of the Supercomputer Institute, University of Minnesota,1989-present,Graduate Faculty of Materials Science, University of Minnesota,1989- 2012, APS Fellow, 1998-present

Synergistic Activities: Symposium on Global Climate Change and the Chemical Industry, American Institute of Chemical Engineers New Orleans, 2002, session organizer and chair; Basic Energy Sciences adviser Committee Workshop on Future of Energy Research, Department of Energy, Gaithersburg, MD, 2003; Workshop on Hydrogen Economy, Department of Energy, Rockville, MD, 2003; NSF MRSEC Review Panel, Northwestern University 2003, DOE INCITE review panel 2013-2015, Scientific Advisory Board, Center for Electrochemical Energy Science (CEES-II), Argonne National Laboratory, 2014-2017

Books:
Statistical Mechanics, Cambridge University Press (2006)
How Likely Is Extraterrestrial Life? Springer-Verlag (2012)

Summary of Interests
Condensed matter and chemical physics theory, simulation and experiment with an emphasis on interfaces and models of prebiotic evolution.

About My Work

Professor Halley's group studies transport and nonequilibirum processes in solids and fluids using theoretical, simulation and experimental methods. Specific studies include:

Studies of electrode-electrolyte interfaces, including electron transfer and the electronic structure of oxides and metals with applications to electrolysis and catalysis in nanophase as well as macroscopic systems.

Studies of solvation, transport and ion pairing in polymers and ionic liquids of relevance to batteries and fuel cells.

Studies of the interaction of vapor pulses with Bose-Einstein condensed helium four liquid and alkali gases.

Chemical kinetic studies of models of prebiotic evolution.

Advisees and Collaborators

Bryan Anderson, Undergraduate
Simon Schneider, research collaborator
Ben Intoy, postdoctoral research associate
Yuhua Duan, Research Collaborator
You Lin, Research Collaborator
Yaroslav Lutsyshyn, Research Collaborator
Patrick Schelling, Research Collaborator
Abrar Quadery, Research Collaborator
Thomas Welle, graduate student
Jon Huber, research collaborator
Aaron Wynveen, research collaborator

Selected Publications

Yuhua Duan, Jonathan Lekse, Xianfeng Wang,Bingyun Li,Heriberto Pfeiffer, Brenda Alcantar-Vazquez, J. W. Halley, Electronic structure, phonon dynamical properties, and CO 2 capture     capability of Na 2-xM xZrO 3 (M = Li, K): Density-functional     calculations and experimental validations, Physical Review Applied 3, 044013 (2015)

Patrick K. Schelling, Jacques Ernotte,1 Lalit Shokeen, J. Woods Halley, and William C. Tucker, Molecular-dynamics calculation of the vacancy heat of transport, Journal of Applied Physics 116 , 023506 (2014)

A. Wynveen, I. Fedorov, and J. W. Halley, Nonequilibrium steady states in a model for prebiotic evolution, Physical Review E 89 , 022725 (2014)

J. Woods Halley, Can Biochemistry Usefully Guide the Search for Better Polymer Electrolytes?", Membranes 3, 242-248 (2013)

Yuhua Duan, Heriberto Pfeiffer, Bingyun Li, Issis C. Romero-Ibarra, Dan C. Sorescu, David R. Luebke and J. Woods Halley, CO2 capture properties of lithium silicates with different ratios of Li2O/SiO2: an ab initio thermodynamic and experimental approach, Phys. Chem. Chem. Phys. 15, 13538-13558 (2013)

J. W. Halley, A. Schofield and B. Berntson, Use of Magnetite as Anode for Electrolysis of Water, Journal of Applied Physics 111, 124911 (2012)

Yuhua Duan,David Luebke, Henry Pennline, Bingyu Li, Michael Janik, J. W. Halley, Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium Carbonate Sesquihydrate K2CO3·1.5H2O, Journal of Physical Chemistry C 116, 14461 (2012)

You Lin, Aaron Wynveen, J. Halley, Larry Curtiss, and Paul Redfern, Self consistent tight binding model for dissociable water, Journal of Chemical Physics 136, 174507 (2012)

A. Tchernatinsky and J. W. Halley,  Relativistic tight-binding model: Application to Pt surfaces, Physical Review B 83, 205431 (2011)

Lingling Jia, Dat Nguyen, J. W. Halley, Phat Pham, William Lamanna and Steven Hamrock, Proton Transport in HTFSI-EMI-TFSI Mixtures: Experiment and Theory, Journ. of the Electrochemical Society 156(1) B136-B151 (2009)

J. Woods Halley, Lingling Jia and Sean Bowman, Mechanisms of Ionic Transport in Membranes for Batteries and Fuel Cells, Materials Research Society Proceedings Volume 1269 / 1269-FF03-06 (2010)

Y. Lutsyshyn and J. W. Halley, Diffusion Monte Carlo calculation of rate of elastic transmission of a helium vapor beam through a slab of superfluid helium, Physical Review B 83, 014504 (2011)

Chien-Yu Tsau, Diu Nghiem, R. Joynt and J. Woods Halley, J, Energy Level Statistics of Quantum Dots, Phys.: Condens. Matter 19, 186215 (2007)

J. Woods Halley, Serkan Erdin, You Lin, Peter Zapol,, Self Consistent Tight Binding Molecular Dynamics Study of TiO_2 Nanoclusters in Water, Journal of Electroanalytical Chemistry 607, 147 (2007)

A.Wynveen, K.A.Lidke, Y.Lutsyshyn and J.W.Halley, Possible Transmission Experiments with Low Velocity Helium Droplets, Phys.Rev B 75, 054506 (2007)

A. S. Barnard, S. Erdin, Y. Lin, P. Zapol and J. W. Halley, Modeling of TiO_2 Nanoparticles, Phys. Rev B 73, 205405 (2006)

Serkan Erdin, You Lin and J. Woods Halley, Self-consistent tight-binding study of low-index titanium surfaces, Phys. Rev B 72, 035405 (2005)

Yuhua Duan, J. W. Halley,Larry Curtiss, Paul Redfern, Mechanisms of Lithium Transport in Amorphous Polytethylene Oxide, Journal of Chemical Physics 122, 054702 (2005)

A. Wynveen, K.A. Lidke, M.C. Williams, C.F. Giese, J.W. Halley, Dynamics of low energy helium vapor pulses, Phys. Rev.E 67, 026311 (2003)

Min Zhuang and J. W. Halley, Self Consistent Tight Binding Method for the Prediction of Magnetic Spin Structures in Solids: Application to MnF_2 and MnO_2, Physical Review B 64, 024413 (2001)

A. Wynveen, A. Setty , A. Howard, J. W. Halley and C. E. Campbell, Identical particle scattering from a weakly coupled Bose-Einstein condensed gas", Physical Review A62, 023602 (2000)

Education

NSF postdoctoral fellow (P.G. de Gennes), University of Paris Orsay,1966
Ph.D. (C. Kittel), Physics, U. California, Berkeley, 1965.
B.S., mathematics, MIT, 1961.