Nuclear Materials (2008-present)

Nuclear Materials (2008-present)

The most up to date and complete list of publications is available at Google Scholar or at Research Gate

 

  1. Y. Li, A. Chernatynskiy, J. R. Kennedy, S. B. Sinnott and S. R. Phillpot, Lattice Expansion by Intrinsic Defects in Uranium by Molecular Dynamics Simulation, Journal of Nuclear Materials 475, 6-18 (2016). doi:10.1016/j.jnucmat.2016.03.018
  2. Y.F. Zhang, X.-M. Bai, J. Yu, M. R. Tonks, M. J. Noordhoek and S. R. Phillpot, Homogeneous hydride nucleation in a-Zr: molecular dynamics simulations with the charge-optimized many-body potential, Acta Materialia 111, 357-365` (2016). http://dx.doi.org/10.1016/j.actamat.2016.03.079
  3. B. Deng, A. Chernatynskiy, S. B. Sinnott and S. R. Phillpot, Interfacial Thermal Transport at (001) Twist Grain Boundaries in UO2, Journal of Nuclear Materials 479, 167-173 (2016).  doi:10.1016/j.jnucmat.2016.06.05
  4. Z. Lu, A. Chernatynskiy, M, J. Noordhoek, S. B. Sinnott and S. R. Phillpot, Nanoindentation of Zr by Molecular Dynamics Simulation, Journal of Nuclear Materials, 467, 72 (2015).  http://dx.doi.org/10.1016/j.jnucmat.2015.10.042
  5. M. Yao, W. Cui, X. Wang. H. Xu and S. R. Phillpot, W辐照损伤初期的分子动力学研究, Molecular Dynamics Simulation of Initial Radiation Damage in Tungsten), Acta Metallurgica Sinica 51, 724-732 (2015) http://dx.doi.org/ 10.11900/0412.1961.2014.00492
  6. T.-W. Chiang, A. Chernatynskiy. M. J. Noordhoek, S. B. Sinnott and S. R. Phillpot, Anisotropy in Oxidation of Zirconium Surfaces from Density Functional Theory Calculations, Computational Materials Science, Computational Materials Science 98, 112-116 (2015). DOI: http://dx.doi.org/10.1016/j.commatsci.2014.10.052
  7. C.-W. Lee, A. Chernatynskiy, P. Shukla, R. E. Stoller, S. B. Sinnott and S. R. Phillpot, Effect of pores and He bubbles on the thermal transport properties of UO2 by molecular dynamics simulation, Journal of Nuclear Materials 456, 253–259 (2015). DOI: http://dx.doi.org/10.1016/j.jnucmat.2014.09.0
  8. A. Chernatynskiy, A. El-Azab, J. S. Tulenko and S. R. Phillpot, Phenomena in Thermal Transport in Fuels, in State-of-the-Art Report on Multi-scale Modelling of Fuels, Nuclear Energy Agency, NEA/NSC/R/2015(5) (OECD, Paris, 2015), Chapter 7, p145-174. https://www.oecd-nea.org/science/docs/2015/nsc-r2015-5.pdf
  9. C. Valot, M. Bertolus, L. Malerba, J. Rashid, T. Besmann, R. Masson, S.  Phillpot and M. Stan, Multiscale Modelling and Simulation of Nuclear Fuels, in in State-of-the-Art Report on Multi-scale Modelling of Fuels, Nuclear Energy Agency, NEA/NSC/R/2015(5) (OECD, Paris, 2015), Chapter 25, p363-382. https://www.oecd-nea.org/science/docs/2015/nsc-r2015-5.pdf
  10. M. Khafizov, I.-W. Park, A. Chernatynskiy, L. He, J. Lin, J. J. Moore, D. Swank, T. Lillo, S. R. Phillpot, A. El-Azab and D. Hurley, Thermal Conductivity in Nanocrystalline Ceria Thin Films, Journal of the American Ceramics Society, 97, 562-569 (2014).   http://dx.doi.org/10.1111/jace.12673
  11. T.-W. Chiang, A. Chernatynskiy, B. Deng, S. B. Sinnott and S. R. Phillpot, Interaction of Voids and Grain Boundaries in UO2 by Molecular-Dynamics, Journal of Nuclear Materials 448, 53-61 (2014). DOI: 10.1016/j.jnucmat.2014.01.027
  12. M. J. Noordhoek, T. Liang (梁涛), Tsu-Wu Chiang (蔣祖武), S. B. Sinnott, and S. R. Phillpot, Mechanisms of Zr Surface Corrosion Determined via Molecular Dynamics Simulations with Charge-Optimized Many-Body (COMB) Potentials, Journal of Nuclear Materials 452, 285-295 (2014). http://dx.doi.org/10.1016/j.jnucmat.2014.05.023
  13.  T.-W. Chiang, A. Chernatynskiy, B. Deng, S. B. Sinnott and S. R. Phillpot, Interaction of Voids and Grain Boundaries in UO2 by Molecular-Dynamics, Journal of Nuclear Materials 448, 53-61 (2014).  DOI: 10.1016/j.jnucmat.2014.01.027
  14. J. W.L. Pang,  A. Chernatynskiy, B. C. Larson, W. J.L. Buyers, D. L. Abernathy, K. J. McClellan, and S. R. Phillpot, Phonon Density of States and Anharmonicity of UO2, Physical Review B 89, 115132 (2014). DOI: 10.1103/PhysRevB.89.115132
  15. Yangzhong Li (李扬中), Tao Liang (梁涛), Susan B. Sinnott and Simon R. Phillpot, A Charge Optimized Many-Body (COMB) Potential for the U-UO2 System. Journal of Physics: Condensed Matter, 25 505401 (2013).
  16. A. Goyal, T. Rudzik, B. Deng, M. Hong, A. Chernatynskiy, S. B. Sinnott and S. R. Phillpot, Segregation of ruthenium to edge dislocations in uranium dioxide, Journal of Nuclear Materials, Materials 441, 96-102 (2013). DOI: 10.1016/j.jnucmat.2013.05.031.
  17. Minki Hong, Blas P. Uberuaga, David A. Andersson, Christopher R. Stanek, Simon R. Phillpotand Susan B. Sinnott, Role of electronic effects on the incorporation of Cr at a Σ5 grain boundary in UO2, Computational Materials Science 78, 29-33 (2013).
  18. Mark J. Noordhoek, Tao Liang, Zizhe Lu, Tzu-Ray Shan, Susan B. Sinnott, and Simon R. Phillpot, Charge-Optimized Many-Body (COMB) Potential for Zirconium, Journal of Nuclear Materials 441, 274-279 (2013).
  19. J. W. L. Pang, W. J. Buyers, A. Chernatynskiy, M. D. Lumsden, B. C. Larson and S. R. Phillpot, Phonon Lifetime Investigation of Anharmonicity and Thermal Conductivity in UO2 by Neutron Scattering and Theory, Physical Review Letters, 110, 157401 (2013).
  20. Minki Hong, Blas P. Uberuaga, Simon R. Phillpot, David Andersson, Christopher R. Stanek, and Susan B. 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).
  21. B. Deng (邓博文), Aleksandr Chernatynskiy, Priyank Shukla, Susan B. Sinnott and S. R. Phillpot*, Effects of Dislocations on the Thermal Conductivity of UO2, Journal of Nuclear Materials, 434, 203-209 (2013).
  22. Yangzhong Li (李扬中), Tzu-Ray Shan (單子睿), Tao Liang (梁涛), Susan B. Sinnott, and Simon R. Phillpot, Classical Interatomic Potential for Uranium Metal, Journal of Physics: Condensed Matter 24 235403 (2012).
  23. Y. Zhang, H. Zhang, P. C. Millett, M. Tonks, D. Wolf and S. R. Phillpot, Do Grain Boundaries Saturate under Radiation Damage? Journal Nuclear Materials 422, 69-76 (2012).
  24. Minki Hong, Simon R. Phillpot, Pankaj Nerikar, Blas P. Uberuaga, Christopher R. Stanek, and Susan B. Sinnott, Solubility and Clustering of Ruthenium Fission Products in Uranium Dioxide as Determined by Density Functional Theory, Physical Review B 85 14410 (2012).
  25. A. Chernatynskiy, C. Flint, S. B. Sinnott and S. R. Phillpot, Critical Assessment of UO2 classical potentials for thermal conductivity calculations, Journal of Materials Science, 47, 7593-7702 (2012).
  26. S. R. Phillpot, A. El-Azab, A. Chernatynskiyand J. S. Tulenko, Thermal Conductivity of UO2 Fuel: Predicting Fuel Performance from Simulation, JOM Journal of Minerals, Metals and Materials Society 63, 732-79 (2011).
  27. P.V. Nerikar, K. Rudman, T. G. Desai, D. Byler, C. Unal, K. J. McClellan, S. R. Phillpot, S. B. Sinnott,P. Peralta,B. P. Uberuaga, and C. R. Stanek, Grain Boundaries in UO2: Scanning Electron Microscopy Experiments and Atomistic Simulations, Journal of American Ceramic Society 94, 1893-1900 (2011).
  28. P. Nerikar, C. R. Stanek, S. R. Phillpot, S. B. Sinnott and  B. P. Uberuaga, Intrinsic Electric Fields in Nanostructured Ceramics, Physical Review B  81, 064111  (2010).
  29. D. S. Aidhy, P. C. Millett, T. Desai, D. Wolf and S. R. Phillpot, Point-Defect Clustering in UO2 by Molecular-Dynamics Simulations, Physical Review B. 80, 104107 (2009).
  30. P. V. Nerikar, X.-Y. Liu, B. P. Uberuaga, C. R. Stanek, S. R. Phillpot and S. B. Sinnott, Thermodynamics of Fission Products in UO2±x, Journal of  Physics Condensed Matter 21 435602 (2009).
  31. P. C. Millett, D. S. Aidhy, T. Desai, S. R. Phillpot and D. Wolf, Grain Boundary Source/Sink Behavior for Point Defects: An Atomistic Simulation Study, International Journal of Materials Research 100, 550-555 (2009).
  32. T. Watanabe, S. Srivilliputhur, P. K. Schelling, J. S. Tulenko, S. B. Sinnott and S. R. Phillpot, Thermal Transport in Off-stoichiometric Uranium Dioxide by Atomic Level Simulation, Journal of the American Ceramics Society 92, 850–856 (2009).
  33. D. A. Vega, T. Watanabe, S. B. Sinnott, S. R. Phillpot and J. S. Tulenko, Towards an Atomistically Informed Fuel Performance Code: Thermal Properties using FRAPCON and Molecular Dynamics Simulation, Nuclear Technology 165, 308-312 (2009).
  34. P. Nerikar, T. Watanabe, J. S. Tulenko, S. R. Phillpot and S. B. Sinnott, Energetics of Intrinsic Point Defects in Uranium Dioxide from Electronic Structure Calculations. Journal of Nuclear Materials 384, 61-69 (2009). 9 pages.
  35. D. S. Aidhy, P. C. Millett, D. Wolf, S. R. Phillpot and H. Huang, Kinetically-driven Point-defect Clustering in Irradiated MgO by Molecular Dynamics Simulation, Scripta Materialia. 60, 691-694 (2009)
  36. T. Watanabe, S. B. Sinnott, J. S. Tulenko, R. W. Grimes, P. K. Schelling and S. R. Phillpot, Thermal transport properties of uranium dioxide by molecular dynamics simulation,  Journal of Nuclear Materials 375, 388-396 (2008)

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