CMSNF Publication

Names in bold were fully supported by the EFRC; names in italics were partially supported by the EFRC



B. Deng, A. Chernatynskiy, M. Khafizov, D.H. Hurley, S.R. Phillpot, "Kapitza resistance of Si/SiO2 interface," Journal of Applied Physics, 115, 084910 (2014).
J. Pakarinen, L. He, M. Gupta, J. Gan, A. Nelson, A. El-Azab, and T. Allen, "2.6 MeV Proton Irradiation Effects on the Surface Integrity of Depleted UO2," Nuclear Instruments and Methods in Physics Research Section B. (2013).
M. Khafizov, I-W Park, An. Chematynskiy, L. He, J. More, D. Swank, T. Lilo, S. Phillpot, A. El-Azab, D. Hurley, "Thermal Conductivity in Nanocrystalline Ceria Thin Films," J. Am. Ceram. Soc. 1-8 (2013).
X.M. Bai, A. El-Azab, J. Yu, and T.R. Allen, "Migration Mechanisms of oxygen interstitial clusters in UO2", Journal of Physics: Condensed Matter 25, 015003 (2013).
B. Deng, A. Chernatynskiy, P. Shukla, S.B. Sinnott, S.R. Phillpot, "Effects of Edge Dislocations on Thermal Transport in UO2", Journal of Nuclear Materials 434, 203 (2013).
A. Chernatynskiy and S. R. Phillpot, "Phonon-mediated Thermal Transport: Confronting Theory and Microscopic Simulation with Experiment", Current Opinions in Solid State and Materials Science 17, 1 (2013).
X. M. Bai and B. P. Uberuaga, "The influence of grain boundaries on radiation-induced point defect production in materials: a review of atomistic studies", invited review article, JOM 65, 360-372 (2013).
Jianliang Lin, William D. Sproul, Bo Wang, Issac Dahan, Yixiang Ou, "Anatase and rutile TiO2 films deposited by arc-free deep oscillation modulated pulsed power magnetron sputtering", Journal of Physics D: Applied Physics 46, 084008 (2013).
J. W. L. Pang, W. J. L. Buyers, A. Chernatynskiy, M. D. Lumsden, B. C. Larson and S. R. Phillpot, “Phonon lifetime limited thermal conductivity of UO2 by Neutron Scattering and Theory,” Physical Review Letters 110, 157401 (2013).
A. Chernatynskiy, S. Phillpot and R. LeSar, "Uncertainty Quantification in Multiscale Simulation of Materials: A Prospective," Annual Review of Materials Research, 43, 157 (2013).
M. Hong, B. Uberuaga, D. Andersson, C. Stanek, S. Phillpot, and S. Sinnott, "Role of electronic effects on the incorporation of Cr at a Σ5 grain boundary in UO2," Computational Materials Science, 78, 29-33 (2013).
M. Hong, B. Uberuaga, S. Phillpot, D. Andersson, C. Stanek, and S. Sinnott, "The Role of Charge and Ionic Radius on Fission Product Segregation to a Model UO2 Grain Boundary," Journal of Applied Physics, 113, 134902 (2013).
L. He, C. Yablinsky, M. Gupta, J. Gan, M. A. Kirk, and T.  Allen, "Transmission Electron Microscopy Investigation of Krypton Bubbles in Polycrystalline CeO2," Nuclear Technology, 182, 164 (2013).
W. R. Deskins and A. El-Azab, Monte Carlo Simulation of Phonon Transport in UO2 Single Crystals, Modelling and Simulation in Materials Science and Engineering, 21, 025013 (2013).
I.-W. Park. J. Lin, J. J. Moore, M. Khafizov, D. Hurley, M. V. Manuel and T. Allen, Grain Growth and Mechanical Properties of Cerium Oxide Films Deposited on Si(100) Substrates by Pulsed Magnetron Sputtering (PMS), Surface Coatings and Technology, 217, 34 (2013).
J. L. Lin, H. B. Henderson, M. V. Manuel and W. D. Sproul, Nanometer Scale Chemistry and Microstructure of CrN/AlN Multilayer Films, Applied Surface Science, 273, 392 (2013).
A.-R. Hassan, A. El-Azab, C. Yablinsky, T. Allen, Defect Disorder in U,  Journal ofSolid State Chemistry, 204 136 (2013).
Stephen A. Taller and Xian-Ming Bai, Assessment of structures and stabilities of defect clusters and surface energies predicted by nine interatomic potentials for UO2, Journal of Nuclear Materials 443, 84-98 (2013).
 Lingfeng He, Mahima Gupta, Clarissa A Yablinsky, Jian Gan, Marquis A Kirk, Xian-Ming Bai,Janne Pakarinen, Todd R Allen, In-situ Kr irradiation of UO2 single crystal, Journal of Nuclear Materials 443, 71-77 (2013).
K. Ahmed, J. Schulte, Clarissa A. Yablinsky, Todd R. Allen and A. El-Azab, Phase field modeling of grain growth in porous polycrystalline ceramics, Modelling and Simulation in Materials Science and Engineering 21, 065005 (2013).
Aleksandr Chernatynskiy and Simon R. Phillpot, "Thermal condictivity of ARgon at high pressure from first principles calculations." Journal of Applied Physics 114,064902 (2013).
B. Valederrama, H.B. Henderson, C. Yablinsky, J. Gan, A.-R. Hassan, A. El-Azab, T.R. Allen, M.V. Manuel, "Fission Products in Nuclear Fuel:  Comparison of Simulated Distribution with Correlative Characterization Techniques" Microscopy and Microanalysis 19 (Suppl. 2), 968-969, (2013).
Y. Li, T. Liang, S. Sinnott, and S. Phillpot, "A Charge Optimized Many-Body (COMB) Potential for the U-Uo2 Sytem," Journal of Physics: Condensed Matter, accepted (2013).
D. Hurley, E. Piekos, S. Shinde, "Interaction of Therman Phonons with Interfaces," book chapter in Length-Scale Dependent Phonon Interactions (pp 175-205), Spinger, (2013).
A. Chernatynskiy, C. Flint, S. B. Sinnott, S. R. Phillpot, Critical assessment of UO2 classical potentials for thermal conductivity calculations, Journal of Materials Science, 47, 7693-7702 (2012).
X. M. Bai and B. P. Uberuaga, Multi-Time Scale Investigation of Radiation Damage near TiO2 Rutile Grain Boundaries, Philosophical Magazine 92, 1469-1498 (2012).
Yangzhong Li, Tzu-Ray Shan, Tao Liang, Susan B. Sinnott, and Simon R. Phillpot, “Classical Interatomic Potential for Uranium Metal”, Journal of Physics Condensed Matter, 24 235403 (2012).
A. Chernatynskiy, D. R. Clarke, and S. R. Phillpot, “Thermal Transport in Nanostructured Materials,” CRC Handbook of Nanoscience, Engineering and Technology, 3rd edition , W. A Goddard III, D. W. Brenner, S. E. Lyshevski and G. J. Iafrate, editors; CRC Press. Pp. 545 -572 (2012).
J. G. Yu, K. M. Rosso, and S. M. Bruemmer, “Charge and Ion Transport in NiO and Aspects of Ni Oxidation from First Principles.” Journal of Physical Chemistry C 116, 1948–1954 (2012).
Z. Hua, H. Ban, M. Khafizov, R. Schley, R. Kennedy and D. Hurley, “Spatially Localized Measurement of Thermal Conductivity Using a Hybrid Photothermal Technique”, Journal of Applied Physics 111, 103505 (2012).
Xian-Ming Bai, Louis J. Vernon, Richard G. Hoagland, Arthur F. Voter, Michael Nastasi, and Blas P. Uberuaga, "The role of atomic structure on grain boundary-defect interactions in Cu," Physical Review B 85, 214103, DOI 10.1103/PhysRevB.85.214103, (2012)
W. Pan, S. R. Phillpot, C. Wan, A. Chernatynskiy and Z. Qu, “Low thermal conductivity oxides” MRS Bulletin 37, 917 (2012). (doi:10.1557/mrs.2012.234)
C. Xing, C. Jensen, Z. Hua, H. Ban, D.H. Hurley, M. Khafizov, R. J. Kennedy, "Parametric Study of the Frequency-Domain Thermoreflectance Technique," Journal of Applied Physics 112, 103105 (2012).
S. R. Phillpot, A. El-Azab, A. Chernatynskiy, and J. S. Tulenko, “Thermal Conductivity of UO2 Fuel: Predicting Fuel Performance from Simulation,” Journal of Metals 63, No. 8, 73 (2011).
D. H. Hurley, M. Khafizov, S. L Shinde, “Measurement of Kapitza Resistant across a Bicrystal Interface, Journal of Applied Physics 109, 083504 (2011).
M. Khafizov and D. Hurley, “Measurement of Thermal Transport Using Time-resolved Thermal Wave Microscopy,” Journal of Applied Physics, 110, 083525 (2011).
A. Chernatynskiy, J. E. Turney, A. J. H. McGaughey, C. H. Amon, and S. R. Phillpot, “Phonon-Mediated Thermal Conductivity in Ionic Solids by Lattice-Dynamics-based Methods,” Journal of the American Ceramic Society 94, No. 10, 3523–3531 (2011).
D. S. Aidhy, D. Wolf, and A. El-Azab, “Comparison of Defect Clustering in Irradiated CeO2 and UO2 from Molecular-Dynamics Simulation,” Scripta Materialia, 65, 867-870 (2011).


In Press

S. R. Phillpot, A. Chernatynskiy, A. El-Azab and J. S. Tulenko, “Simulation of the Thermal Transport Properties of UO2: Recent Progress and Current Challenges, submitted to the OECD/NEA/NSC/WPMM (Working Party on Multi-scale Modelling of Fuels and Structural Materials for Nuclear Systems) report on Multiscale Modeling of Fuel (In press)
David G. Cahill, Paul V. Braun, Gang Chen, David Clarke, Shanhui Fan, Kenneth E. Goodson, Pawel Keblinski, William P. King, Gerald D. Mahan, Arun Majumdar, Humphrey J. Maris, Simon R. Phillpot, Eric Pop, Li Shi, "Nanoscale Thermal Transport II: 2003-2012," Applied Physics Reviews (in press).