Publications in 2012

K. Huang, I. Szlufarska
Friction and slip at solid/liquid interfaces in vibrational systems
Langmuir, 28, 17302-17312, (2012)  (Journal Pub, arXiv)

C. Jiang, D. Morgan, I. Szlufarska
Carbon tri-interstitial defect: A model for the DII center
Physical Review B, 86, 144118, (2012) (Journal Pub)

Y. Liu, I. Szlufarska
Chemical origins of frictional aging
Physical Review Letters, 109, 186102, (2012) (Journal Pub)

S. Curtarolo, W. Setyawan, G. L. W. Hart, M. Jahnatek, R. V. Chepulskii, R. H. Taylor, S. Wang, J. Xue, K. Yang, O. Levy, M. J. Mehl, H. T. Stokes, D. O. Demchenko, D. Morgan
AFLOW: An automatic framework for high-throughput materials discovery
Computational Materials Science, 58, 218-226, (2012).  (Journal Pub)

G. S. Was, T. S. Byun, S. Y. Hu, D. Morgan, Y. Nagai, M. Kerr
Microstructural processes in irradiated materials and characterization with neutron and synchrotron radiation preface
Journal of Nuclear Materials, 425, 1-1, (2012)  (Journal Pub)

C. Yu, E. F. Holby, R. Yang, M. F. Toney, D. Morgan, P. Strasser
Growth trajectories and coarsening mechanisms of metal nanoparticle electrocatalysts
ChemCatChem, 4, 6, 766-770, (2012) (Journal Pub)

L. Barnard, J. D. Tucker, S. Choudhury, T. R. Allen, D. Morgan
Modeling radiation induced segregation in Ni-Cr model alloys from first principles
Journal of Nuclear Materials, 425, 8-15, (2012) (Journal Pub)

T. M. Besmann, R. E. Stoller, G. Samolyuk, P. C. Schuck, S. I. Golubov, S. P. Rudin, J. M. Willis, J. Do. Coe, B. D. Wirth, S. Kim, D. MorganI. Szlufarska.
Modeling Deep Burn TRISO Particle Nuclear Fuel
Journal of Nuclear Materials, 430, 181-189, (2012)  (Journal Pub)

J. A. Gilbert, N. N. Kariuki, R. Subbaraman, A. J. Kropf, M. C. Smith, E. F. Holby, D. Morgan, D. J. Myers
In-situ anomalous small-angle X-Ray scattering studies of platinum nanoparticle fuel cell electrocatalyst degradation
Journal of the American Chemical Society, 134, 14823-14833, (2012)  (Journal Pub)

K. L. Crispin, S. Saha, D. Morgan, J. A. van Orman
Diffusion of Ni, Co, Fe and Mn in periclase: Experiments and first-principles calculations
Earth and Planetary Science Letters, 357-358, 42-53, (2012) (Journal Pub)

H. Jacobsen, B. Puchala, T. F. Kuech, D. Morgan
Ab initio study of the strain dependent thermodynamics of Bi doping in GaAs
Physical Review B, 86, 085207, (2012)  (Journal Pub)

A. B. Yankovich, B. Puchala, F. Wang, J. Seo, D. Morgan, X. Wang, Z. Ma, A. V. Kvit, P. M. Voyles
Stable p-type conduction from Sb-decorated head-to-head basal plane inversion domain boundaries in ZnO nanowires
Nano Letters, 12, 1311, (2012) (Journal Pub)

B. Puchala, D. Morgan
Stable interstitial dopant – vacancy complexes in ZnO
Physical Review B, 85, 195207, (2012) (Journal Pub)

B. Puchala, D. Morgan
Atomistic modeling of As diffusion in ZnO
Physical Review B, 85, 064106, (2012) (Journal Pub)

A. Londono-Hurtado, R. Bratton, D. MorganI. Szlufarska
A review of fission product sorption in carbon structures
Journal of Nuclear Materials, 426, 254-267, (2012)  (Journal Pub)

A. Londono-Hurtado, D. MorganI. Szlufarska
First principle study of Cs and Sr sorption on carbon structures
Journal of Applied Physics, 111, 094912, (2012) (Journal Pub)

R. M. Jacobs, J. H. Booske, D. Morgan
Intrinsic defects and conduction characteristics of Sc2O3 in thermionic cathode systems
Physical Review B, 86, 054106, (2012) (Journal Pub, arXiv)

E. J. Crumlin, E. Mutoro, Z. Liu, M. E. Grass, M. D. Biegalski, Y. -L. Lee, D. Morgan, H. M. Christen, H. Bluhm, Y. Shao-Horn
Surface strontium enrichment on highly active perovskites for oxygen electrocatalysis in solid oxide fuel cells
Energy & Environmental Science, 5, (3), 6081-6088, (2012) (Journal Pub)

M. J. Gadre, Y. -L. Lee, D. Morgan
Cation interdiffusion model for enhanced oxygen kinetics at oxide heterostructure interfaces
Physical Chemistry Chemical Physics, 14, 8, 2606-2616, (2012) (Journal Pub)

M. Mishra, P. Egberts, R. Bennewitz, I. Szlufarska
Friction model for single asperity elastic-plastic contacts
Physical Review B, 86, 045452, (2012) (Journal Pub)

Y. Katoh, L. L. Snead, I. Szlufarska, W. J. Weber
Radiation effects in SiC for nuclear structural applications
Current Opinion in Solid State & Materials Science, 16, 143-152, (2012) (Journal Pub)

E. F. Holby, J. Greeley, D. Morgan
Thermodynamics and hysteresis of oxide formation and removal on platinum (111) surfaces
Journal of Physical Chemistry C, 116, 9942-9946, (2012) (Journal Pub)

E. F. Holby, D. Morgan
Application of Pt nanoparticle dissolution and oxidation modeling to understanding degradation in PEM fuel cells
Journal of the Electrochemical Society, 159, 578-591, (2012) (Journal Pub)

N. Swaminathan, M. Wojdyr, D. MorganI. Szlufarska
Radiation interaction with tilt grain boundaries in beta-SiC
Journal of Applied Physics, 111, 054918, (2012) (Journal Pub)

A. Londono-Hurtado, I. Szlufarska, R. Bratton, D. Morgan
A review of fission product sorption in carbon structures
Journal of Nuclear Materials, 426, 254-267, (2012) (Journal Pub)

M. Mishra, I. Szlufarska
Analytical model for plowing friction at nanoscale
Tribology Letters, 45, 417-426, (2012) (Journal Pub)

Y. -L. Lee, D. Morgan
Ab initio and empirical defect modeling of LaMnO3±? for solid oxide fuel cell cathodes
Physical Chemistry Chemical Physics, 14, 1, 290-302, (2012) (Journal Pub, Corrections)

L. Barnard, G. R. Odette, I. SzlufarskaD. Morgan
An ab-initio study of Ti-Y-O nanocluster energetics in nanostructured ferritic alloys
Acta Materialia, 60, 3, 935-947, (2012) (Journal Pub)

D. Shrader, I. SzlufarskaD. Morgan
Cs diffusion in cubic silicon carbide
Journal of Nuclear Materials, 421, 89-96, (2012) (Journal Pub)