Accomplishments

Publications - Solely Supported by EFRC

  • 2014
    • Hassan, Abdel-Rahman; Manuel, Michele; and El-Azab, Anter, "Electrochemical Effects of Isolated Voids in Uranium Dioxide," Journal of Physics and Chemistry of Solids, 75, 550-557 (2014). [10.1016/j.jpcs.2013.12.017]
    • Hurley, David H.; Khafizov, Marat; Allen, Todd R.; and Yablinsky, Clarissa, "Measurement of thermal conductivity in proton irradiated silicon," Nuclear Instruments and Methods in Physics Research B, 325, 11-14 (2014). [10.1016/j.nimb.2014.02.003]
    • Deng, Bowen; Chernatynskiy, Aleksandr; Khafizov, Marat; Hurley, David H.; and Phillpot, Simon R., "Kapitza resistance of Si/SiO2 interface," Journal of Applied Physics, 115, 084910 (2014). [10.1063/1.4867047]
    • Pakarinen, Janne; He, Lingfeng; Gupta, Mahima; Gan , Jian; Nelson, Andrew; El-Azab, Anter; and Allen , Todd R., "2.6 MeV proton irradiation effects on the surface integrity of depleted UO2," Nuclear Instruments and Methods in Physics Research B, 319, 100-106 (2014). [10.1016/j.nimb.2013.11.014]
    • He, Lingfeng; Pakarinen, Janne; Kirk, Marquis A.; Gan , Jian ; Nelson, Andrew; El-Azab, Anter; and Allen, Todd R. "Microstructure evolution in Xe-irradiated UO2 at room temperature," Nuclear Instruments and Methods in Physics Research B, 330, 55-60 (2014). [10.1016/j.nimb.2014.03.018]
    • El-Azab, Anter; Ahmed, Karim; Rokkam, Srujan; and Hochrainer, Thomas, "Diffuse interface modeling of void growth in irradiated materials. Mathematical, thermodynamics and atomistic perspectives," Current Opinion in Solid State and Materials Science, (2014). [10.1016/j.cossms.2014.01.002]
    • Chernatynskiy, Aleksandr and Phillpot, Simon, "Phono Transport Simulator (PhonTS)", Computer Physics Communications, Under Review, (2014).
    • Hochrainer, Thomas; and El-Azab, Anter, "Interaction of point defects with free surfaces and the theory of void growth in irradiated materials," Philosophical Magazine, Under Review, (2014).
    • Valderrama, Billy; Henderson, Hunter B.; Yablinsky, Clarissa; Gan, Jian; Allen, Todd R.; and Manuel, Michele, "Investigation of Material Property Influenced Stoichiometric Deviations as Evidenced During UV-laser Assisted Atom Probe Tomography In Fluorite Oxides," Microscopy and Microanalysis, Under Review, (2014).

  • 2013
    • Taller, Stephen A; and Bai, Xian-Ming, "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). [10.1016/j.jnucmat.2013.06.038]
    • He, Lingfeng; Gupta, Mahima; Yablinsky, Clarissa ; Gan , Jian; Kirk, Marquis A.; Bai, Xian-Ming; Pakarinen, Janne; and Allen , Todd R., "In Situ TEM Observation of Dislocation Evolution in Kr-Irradiated UO2 Single Crystal," Journal of Nuclear Materials, 443, 71-77 (2013). [10.1016/j.jnucmat.2013.06.050]
    • He, Lingfeng; Yablinsky, Clarissa; Gupta, Mahima; Gan , Jian; Kirk, Marquis A.; and Allen , Todd R.," Transmission Electron Microscopy Investigation of Krypton Bubbles in Polycrystalline CeO2," Nuclear Technology, 182, 164-169 (2013).
    • Hurley, David H.; Khafizov, Marat; Kennedy, Rory; and Burgett, Eric, "Mechanical Properties of Nuclear Fuel Surrogates using Picosecond Laser Ultrasonics," Proceedings of the 2013 International Congress on Ultrasonics, 686 (2013).
    • Ahmed, Karim; Yablinsky, Clarissa; Schulte, A.; Allen, Todd R.; and El-Azab, Anter, "Phase field modeling of the effect of porosity on grain growth kinetics in polycrystalline ceramics," Modelling and Simulation in Materials Science and Engineering, 21, Number 6, 065005 (2013). [10.1088/0965-0393/21/6/065005]
    • Deskins, W. Ryan; and El-Azab, Anter, "Monte Carlo Simulation of Phonon Transport in UO2 Single Crystals," Modeling and Simulation in Materials Science and Engineering, 21, Issue 2 , (2013). [10.1088/0965-0393/21/2/025013]
    • Bai, Xian-Ming; El-Azab, Anter; Yu, Jianguo; and Allen, Todd R., "Migration Mechanisms of oxygen interstitial clusters in UO2," Journal of Physics - Condensed Matter, 25, 015003 (2013). [10.1088/0953-8984/25/1/015003 ]
    • Chernatynskiy, Aleksandr; and Phillpot, Simon R., "Thermal Conductivity of Argon and High Pressure from First Principles Calculations," Journal of Applied Physics, 114, 064902 (2013). [10.1063/1.4817901]
    • Hassan, Abdel-Rahman; El-Azab, Anter; Yablinsky, Clarissa; and Allen, Todd R., "Defect Disorder in UO2," Journal of Solid State Chemistry, 204, 136-145 (2013).
    • Valderrama, Billy; Henderson, Hunter B.; Gan, Jian; and Manuel, Michele, "The Influence of Instrument Conditions on the Evaporation Behavior of Uranium Dioxide with UV-laser Assisted Atom Probe Tomography," Ultramicroscopy, Under Review, (2013).
    • Valderrama, Billy; Henderson, Hunter; He, Lingfeng; Yablinsky, Clarissa; Gan, Jian; Hassan, Abdel-Rahman; El-Azab, Anter; Allen, Todd R.; and Manuel, Michele, "Fission Products in Nuclear Fuel: Comparison of Simulated Distribution with Correlative Characterization Techniques," Microscopy and Microanalysis, 19 (Suppl.2), 968-969 (2013). [10.1017/S143192761300683]

  • 2012
    • Chernatynskiy, Aleksandr; and Phillpot, Simon R., "Phonon-mediated Thermal Transport: Confronting Theory and Microscopic Simulation with Experiment," Current Opinion in Solid State and Materials Science, In Press , 0000 (2012). [10.1016/j.cossms.2012.11.001]

  • 2011
    • Khafizov, Marat; and Hurley, David H., "Measurement of Thermal Transport Using Time-Resolved Thermal Wave Microscopy," Journal of Applied Physics, 110, 83525, 7 (2011). [10.1063/1.3653829]

Publications - Partially Supported by EFRC

  • 2014
    • Lin, Jianliang; Dahan, Isaac; Valderrama, Billy; and Manuel, Michele, "Structure and Properties of Uranium Oxide Thin Films Deposited by Pulsed DC Magnetron Sputtering," Applied Surface Science, 301, 475-480 (2014). [10.1016/j.apsusc.2014.02.106]
    • Barr, Christopher M.; Vetterick, Gregory A.; Unocic, Kinga A.; Hattar, Khalid; Bai, Xian-Ming; and Taheri, Mitra L., "Anisotropic Radiation Induced Segregation in 316L Austenitic Stainless Steel with Grain Boundary Character," Acta Materialia, 67, 145-155 (2014). [10.1016/j.actamat.2013.11.060]
    • Ahmed, Karim; Pakarinen, Janne; Allen, Todd R.; and El-Azab, Anter, "Phase field simulation of grain growth in porous uranium dioxide," Journal of Nuclear Materials, 446, Issues 1-3, 90-99 (2014). [10.1016/j.jnucmat.2013.11.036]
    • Pang, Judy W.; Chernatynskiy, Aleksandr; Larson, Bennett C.; Buyers, William J.L.; Abernathy, Douglas L; McClellan, Kenneth J.; and Phillpot, Simon R., "Phonon density of states and anharmonicity of UO2," Physical Review B, 89, 115132 (2014). [10.1103/PhysRevB.89.115132]
    • Khafizov, Marat; Park, In-wook; Chernatynskiy, Aleksandr; He, Lingfeng; Lin, Jianliang; Moore, John J.; Swank, David; Lillo, Thomas; Phillpot, Simon R.; El-Azab, Anter; and Hurley, David H., "Thermal Conductivity in Nanocrystalline Ceria Thin Films," Journal of the American Ceramic Society, 97, Issue 2, 562-569 (2014). [10.1111/jace.12673]
    • Cahill, David G.; Braun, Paul V.; Chen, Gang; Clarke, David R.; Fan, Shanhui; Goodson, Kenneth E.; Keblinski, Pawel; King, William P.; Mahan, Gerald D.; Majumdar, Arun; Maris, Humphrey J.; Phillpot, Simon R.; Pop, Eric; and Shi, Li, "Nanoscale thermal transport II," Applied Physics Reviews, 1, 011305 (2014). [10.1063/1.4832615]
    • Chernatynskiy, Aleksandr; El-Azab, Anter; Tulenko, James S.; and Phillpot, Simon R., "Simulation of the Thermal Transport Properties of UO2: Recent Progress and Current Challenges," IAEA Report on Simulation of UO2 Fuel, In Press, (2014).
    • Wang, Nan; Rokkam, Srujan; Hochrainer, Thomas; Pernice, Michael; and El-Azab, Anter, "Asymptotic and uncertainty analysis of a phase field mode for voids formation under irradiation," Computational Materials Science, In Press, (2014).

  • 2013
    • Hong, Minki; Uberuaga, Blas P.; Phillpot, Simon R.; Andersson, David A.; Stanek, Christopher R.; Sinnott, Susan B., "The role of charge and ionic radius on fission product segregation to a model UO2 grain boundary," Journal of Applied Physics, 113, 134902 (2013).  [10.1063.104798347]
    • Hong, Minki; Uberuaga, Blas P.; Andersson, David A.; Stanek, Christopher R.; Phillpot, Simon R.; Sinnott, Susan B., "Role of electronic effects on the incorporation of Cr at a Σ5 grain boundary in UO2," Computational Material Science, 78, 29-33, (2013). [10.1016/j.commatsci.2013.05.008]
    • Bai, Xian-Ming; and Uberuaga, B. P., "On the influence of grain boundaries on radiation damage production in materials: a review of theoretical studies," JOM, 65, No. 3, 360-373 (2013). [10.1007/s11837-012-0544-5]
    • Deng, Bowen; Chernatynskiy, Aleksandr; Shukla, P; Sinnott, Susan B; and Phillpot, Simon R., "Effect of Edge Dislocation on Thermal Transport in UO2," Journal of Nuclear Materials, 434, 203-209 (2013). [10.1016/j.jnucmat.2012.11.043]
    • Lin, Jianliang; and Wang, Bo, "Anatase and rutile TiO2 films deposited by arc-free deep oscillation magnetron sputtering," Journal of Physics D: Applied Physics, 46, Number 8, (2013). [10.1088/0022-3727/46/8/084008]
    • Park, In-wook; Lin, Jianliang; Moore , James J.; Khafizov, Marat; Hurley, David H.; Manuel, Michele; and Allen, Todd R., "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 - 38 (2013). [10.1016/j.surfcoat.2012.11.068]
    • He, Lingfeng; Valderrama, Billy; Hassan, Abdel-Rahman; Gupta, Mahima; Pakarinen, Janne; Gan, Jian; Kirk, Marquis A.; Nelson, Andrew; Manuel, Michele; El-Azab, Anter; and Allen, Todd R., "Bubble, stoichiometry, and chemical equilibrium of krypton-irradiated UO2," Journal of Nuclear Materials, Under Review, (2013).
    • Hurley, David H.; Piekos, E.; and Shinde, S., "Interaction of Thermal Phonons with Interfaces," Length-Scale Dependent Phonon Interactions, Springer, 175-205 (2013).
    • Chernatynskiy, Aleksandr; Phillpot, Simon R.; and LeSar, Richard, "Uncertainty Quantification in Multiscale Simulation of Materials: A Prospective," Annual Review of Materials Research, 43, 157-182 (2013). [10.1146/annurev-matsci-071312-121708]
    • Lin, Jianliang; Henderson , Hunter; Manuel , Michele; and Sproul, William D., "Nanoscale Chemistry and Microstructure of the CrN/AlN Multilayer Films Investigated by TEM and APT," Applied Surface Science, 274, 392-396 (2013). [10.1016/j.apsusc.2013.03.075]
    • Pang, Judy W.; Buyers, William J.L.; Chernatynskiy, Aleksandr; Lumsden, Mark D.; Larson, Bennett C.; and Phillpot, Simon R., "Phonon Lifetime Investigation of Anharmonicity and Thermal Conductivity of UO2 by Neutron Scattering and Theory," Physical Review Letters, 110, 157401 (2013). [10.1103/PhysRevLett.110.157401]
    • Wu, Binbin; and Yu, Jianguo, "From Used Oxide Nuclear Fuel to Rechargeable Battery: A First-Principles Study," Mater. Res. Soc. Symp. Proc., (2013). [10.1557/opl.2013]
    • Li, Yangzhong; Liang, Tao; Sinnott, Susan B; and Phillpot, Simon R., "A Charge Optimized Many-Body (COMB) Potential for the U-UO2 System," Journal of Physics: Condensed Matter, 25, 505401 (2013). [10.1088/0953-8984/25/50/505401]

  • 2012
    • Pan, Wei; Phillpot, Simon R.; Wan, Chunlei; Chernatynskiy, Aleksandr; and Qu, Zhixue, "Low thermal conductivity oxides," MRS Bulletin, 37, Issue 10, 917 (2012). [10.1557/mrs.2012.234]
    • Li, Yangzhong; Shan, Tzu-Ray; Liang, Tao; Sinnott, Susan B; and Phillpot, Simon R., "Classical Interatomic Potential for Uranium Metal," Journal of Physics, Condensed Matter, 24, 235403 (2012). [10.1088/0953-8984/24/23/235403 ]
    • Bai, X. M.; and Uberuaga, B. P., "Multi-timescale investigation of radiation damage near TiO2 rutile grain boundaries," Philosophical Magazine, 92:12, 1469-1498 (2012).
    • Chernatynskiy, Aleksandr; Flint, Charles; and Sinnott, Susan B., "Critical Assessment of UO2 Classical Potentials for Thermal Conductivity Calculations," Journal of Material Science, 10 (2012). [10.1007/s10853-011-6230-0]
    • Park, In-wook; Moore, James J.; Lin, Jianliang; Hurley, David H.; Khafizov, Marat; El-Azab, Anter; Allen, Todd R.; Yablinsky, Clarissa; Gupta, Mahima; Gan, Jian; Manuel, Michele; Henderson, Hunter; and Valderrama, Billy, "Deposition of Microstructure and Mechanical Properties of Mo doped CeO2 Films, Prepared by Pulsed Unbalanced Magnetron Sputtering," International Conference on Metallurgical Coatings and Thin Film, San Diego, CA, (2012).
    • Chernatynskiy, Aleksandr; Flint, C. ; Sinnott, Susan B; and Phillpot, Simon R., "Thermal Transport in Nanostructured Materials," CRC Handbook of Nannoscience, Engineering and Technology, 3rd Edition , 545 - 572, ISBN-13: 978-1439860151 (2012).
    • Hua, Zilong; Ban, Heng; Khafizov, Marat; Schley, Robert; Kennedy, Rory; and Hurley, David H., "Spatially localized measurement of thermal conductivity using a hybrid photothermal technique," Journal of Applied Physics, 111, 7 (2012). [10.1063/1.4716474]
    • Bai, Xian-Ming; Vernon, L J; Hoagland, Richard G; Voter, A. F.; Nastasi, Michael; and Uberuaga, B. P., "The role of atomic structure on grain boundary-defect interactions in Cu," Physical Review B, 85, 214103 (2012). [10.1103/PhysRevB.85.214103]
    • Xing, Changhu; Jensen, C.; Hua, Zilong; Ban, Heng; Hurley, David H.; and Khafizov, Marat, "Parametric Study of the Frequency-Domain Thermoreflectance Technique," Journal of Applied Physics, 112, 103105 (2012). [10.1063/1.4761977]

  • 2011
    • Aidhy, Dilpuneet S.; Wolf, Dieter; El-Azab, Anter, "Comparison of point-defect clustering in irradiated CeO2 and UO2: A unified view from molecular dynamics simulations and experiments," Scripta Materialia, 65, Issue 10, 867-870, (2011).  [10.1016/j.scriptamat.2011.07.051]
    • Chernatynskiy, Aleksandr; Turney, Joseph E.; McGaughey, Alan J.H.; Amon, Cristina H.; and Phillpot, Simon R., "Phonon-Mediated Thermal Conductivity in Ionic Solids by Lattice Dynamics-Based Methods," Journal of the American Ceramic Society, 94, Issue 10, 3523-3531, (2011).  [10.1111/j.1551-2916.2011.04743.x]
    • Phillpot, Simon R.; El-Azab, Anter; Chernatynskiy, Aleksandr; and Tulenko, James S., "Thermal Conductivity of UO2 Fuel: Predicting Fuel Performance from Simulation," Journal of The Minerals, Metals and Materials Societ, 63 No. 8, 73-79 (2011). [10.1007/s11837-011-0143-x]
    • Yu, Jiangou; Rosso, Kevin M.; and Bruemmer, Stephen M., "Charge and Ion Transport in NiO and Aspects of Ni Oxidation from First Principles," Journal of Physical Chemistry, 116 (2) , 1948-1954 (2011). [10.1021/jp208080v]
    • Chernatynskiy, Aleksandr; Turney, Joseph E.; McGaughey, Alan J. H.; Amon, Christina H.; and Phillpot, Simon R., "Phonon-mediated Thermal Conductivity in Ionic Solids by Lattice Dynamics-based Methods," Journal of the American Ceramic Society, 1-9, (2011). [10.1111/j.1551-2916.2011.04743.x]
    • Hurley, David H.; Khafizov, Marat; and Shinde, S. L., "Measurement of the Kapitza resistance across a bicrystal interface," Journal of Applied Physics, 109, 083501 (2011). [10.1063/1.3573511]