Director, Energy Processes & Materials Division
Director, Energy Processes & Materials Division

Biography

Ram Devanathan is the Director of the Energy Processes & Materials Division in the Energy & Environment Directorate at Pacific Northwest National Laboratory (PNNL) in Richland, Washington. He is passionate about advancing the clean energy revolution through decarbonization, electrification, and energy efficient advanced manufacturing. Dr. Devanathan’s technical interests include the design of materials for extreme environments, multiscale modeling, and machine learning for materials discovery. He serves as an active volunteer in the American Chemical Society, Materials Research Society, and The Minerals, Metals & Materials Society. He is a recipient of the US Department of Energy’s Outstanding Mentor Award for his efforts to involve high school, undergraduate, and graduate students in computational materials science, and the American Ceramic Society’s Richard M. Fulrath Award. Devanathan is a Fellow of the American Ceramic Society and the American Chemical Society. 

Research Interest

  • Materials development for service in extreme environments
  • Data management and machine learning applied to materials science
  • Selective water transport in membranes for desalination
  • Computer simulation of defects, radiation damage, and diffusion in materials

Disciplines and Skills

  • Computational Materials Science
  • Data Analysis
  • Data-driven Decision Making
  • Strategy Formulation

Education

  • MBA in General Management, Washington State University (2011)
  • PhD in Materials Science and Engineering, Northwestern University (1993)
  • BIT in Metallurgical Engineering, IIT Madras (1988)

Affiliations and Professional Service

  • American Association for Advancement of Science
  • American Ceramic Society
  • American Chemical Society
  • Materials Research Society
  • The Minerals, Metals and Materials Society

Awards and Recognitions

  • Fellow of the American Chemical Society (2020)
  • Fellow of the American Ceramic Society (2015)
  • Richard M Fulrath Award, American Ceramic Society (2012)
  • Outstanding Mentor Award of the U.S. Department of Energy (2010)
  • Battelle Community Spirit Award (2008)

Publications

2021

  • Devanathan R. "Development of Efficient Process for Manufacturing of Thermoplastic Composites with Tailored Properties - CRADA 511." PNNL-SA-160002.
  • Devanathan R. 2021. Development of Efficient Process for Manufacturing of Thermoplastic Composites with Tailored Properties - CRADA 511. PNNL-SA-160002. Richland, WA: Pacific Northwest National Laboratory.
  • Khakurel H., M. Taufique, A. Roy, G. Balasubramanian, G. Ouyang, J. Cui, and D.D. Johnson, et al. 2021. "Machine Learning Assisted Prediction of the Young's Modulus of Compositionally Complex Alloys." Scientific Reports 11, no. 1:17149. PNNL-SA-158789. doi:10.1038/s41598-021-96507-0
  • Kruska K., W. Jiang, X. Wang, L. Shao, B.J. Riley, and R. Devanathan. 2021. "Formation of multicomponent alloy particles in doped ceria under I2+ ion irradiation and thermal annealing." Journal of Nuclear Materials 545. PNNL-SA-150713. doi:10.1016/j.jnucmat.2020.152638
  • Kulkarni S.S., V. Gupta, D.J. Senor, T.J. Truster, A. Soulami, and R. Devanathan. 2021. "A microstructure-based modeling approach to predict the mechanical properties of Zr alloy with hydride precipitates." Computational Materials Science 197. PNNL-SA-160261. doi:10.1016/j.commatsci.2021.110654
  • Mamun M.G., M. Wenzlick, A. Visweswara Sathanur, J.A. Hawk, and R. Devanathan. 2021. "Machine Learning Augmented Predictive and Generative Model for Rupture Life in Ferritic and Austenitic Steels." npj Materials Degradation 5, no. 1:20. PNNL-SA-155793. doi:10.1038/s41529-021-00166-5
  • Mamun M.G., M. Wenzlick, J.A. Hawk, and R. Devanathan. 2021. "A Machine Learning Aided Interpretable Model for Rupture Strength Prediction in Fe-based Martensitic and Austenitic Alloys." Scientific Reports 11, no. 1:5466. PNNL-SA-156871. doi:10.1038/s41598-021-83694-z
  • Wenzlick M., M.G. Mamun, R. Devanathan, K.K. Rose, and J.A. Hawk. 2021. "Incorporating historical data and past analyses for improved tensile property prediction of 9% Cr steel." In 150th Annual Meeting and Exhibition of The Minerals, Metals and Materials Society, (TMS 2021), March 15-18, 2021. Minerals, Metals and Materials Series, 5, 461 - 472. Cham:Springer. PNNL-SA-156299. doi:10.1007/978-3-030-65261-6_42

2020

  • Schwantes JM, J Bair, EC Buck, R Devanathan, SH Kessler, TG Lach, and JM Lonergan, et al. 2020. “A new non-diffusional gas bubble production route in used nuclear fuel: Implications for fission gas release, cladding corrosion, and next generation fuel design.” Physical Chemistry Chemical Physics 22, no. 11:6086-6099. PNNL-SA-144695. doi:10.1039/C9CP05363H
  • Wenzlick M.Z., J.R. Bauer, K.K. Rose, J.A. Hawk, and R. Devanathan. 2020. "Data Assessment Method to Support the Development of Creep-Resistant Alloys." Integrating Materials and Manufacturing Innovation 9, no. 1:89-102. PNNL-SA-148614. doi:10.1007/s40192-020-00167-3

2019

  • Deguire E, L Bartolo, R Brindle, R Devanathan, E Dickey, J Fessler, and RH French, et al. 2019. “Data-driven glass/ceramic science research: Insights from the glass and ceramic and data science/informatics communities.” Journal of the American Ceramic Society 102, no. 11:6385-6402. PNNL-SA-136773. doi:10.1111/jace.16677
  • Devanathan R, W Jiang, K Kruska, MA Conroy, TC Droubay, and JM Schwantes. 2019. “Hexagonal Close-Packed High-Entropy Alloy Formation under Extreme Processing Conditions.” Journal of Materials Research 34, no. 5:709-719. PNNL-SA-137859. doi:10.1557/jmr.2018.438
  • Jiang W, MA Conroy, K Kruska, MJ Olszta, TC Droubay, JM Schwantes, and CA Taylor, et al. 2019. “In situ Study of Particle Precipitation in Metal-doped CeO2 during Thermal Treatment and Ion Irradiation for Emulation of Irradiating Fuels.” Journal of Physical Chemistry C 123, no. 4:2591-2601. PNNL-SA-139442. doi:10.1021/acs.jpcc.8b11027
  • Setyawan W, DJ Senor, and R Devanathan. 2019. “Role of Interfaces in Damage Process of Irradiated Lithium Aluminate Nanocrystals.” Journal of the American Ceramic Society 102, no. 4:1982-1993. PNNL-SA-131764. doi:10.1111/jace.16051
  • Shin Y, MN Taufique, R Devanathan, EC Cutsforth, J Lee, W Liu, and LS Fifield, et al. 2019. “Highly Selective Supported Graphene Oxide Membranes for Water-Ethanol Separation.” Scientific Reports 9, no. 1:Article No. 2251. PNNL-SA-130472. doi:10.1038/s41598-019-38485-y

2018

  • Devanathan R 2018. “An Introduction to Graphene and Carbon Nanotubes [Book Review].” MRS Bulletin 43, no. 2:148-149. PNNL-SA-130325. doi:10.1557/mrs.2018.25
  • Garrett KE, AM Ritzmann, FN Smith, SH Kessler, R Devanathan, NJ Henson, and DG Abrecht. 2018. “First principles investigation of the structural and bonding properties of hydrated actinide (IV) oxalates, An(C2O4)2·6H2O (An = U, Pu).” Computational Materials Science 153. PNNL-SA-133111. doi:10.1016/j.commatsci.2018.06.033
  • Garrett KE, DG Abrecht, SH Kessler, NJ Henson, R Devanathan, JM Schwantes, and DD Reilly. 2018. “Carbon diffusion in molten uranium: an ab initio molecular dynamics study.” Modelling and Simulation in Materials Science and Engineering 26, no. 3:Article No. 035013. PNNL-SA-129429. doi:10.1088/1361-651X/aaad72
  • Tonks M, D Andersson, R Devanathan, R Dubourg, AA El-Azab, M Freyss, and F Iglesias, et al. 2018. “Unit Mechanisms of Fission Gas Release: Current Understanding and Future Needs.” Journal of Nuclear Materials 504. PNNL-SA-129199. doi:10.1016/j.jnucmat.2018.03.016

2017

  • Devanathan R 2017. “Ion sieving and desalination: Energy penalty for excess baggage.” Nature Nanotechnology 12. PNNL-SA-124040. doi:10.1038/nnano.2017.53
  • Devanathan R 2017. “Molecular Dynamics Simulation of Fission Fragment Damage in Nuclear Fuel and Surrogate Material.” MRS Advances 2, no. 21-22:1225-1230. PNNL-SA-123157. doi:10.1557/adv.2017.9
  • Devanathan R 2017. “Review of “Computational Thermodynamics of Materials". MRS Bulletin 42, no. 2:162-163. PNNL-SA-123080. doi:10.1557/mrs.2017.21
  • Devanathan R 2017. “Review of Fundamentals of Condensed Matter Physics.” MRS Bulletin 42, no. 6:470-471. PNNL-SA-125215. doi:10.1557/mrs.2017.134
  • Dong L, W Setyawan, Y Li, R Devanathan, and F Gao. 2017. “Molecular Dynamics Simulation of Low-energy Recoil Events in Titanate Pyrochlores.” RSC Advances 7, no. 56:35403-35410. PNNL-SA-125690. doi:10.1039/c7ra04699e
  • Dong L, Y Li, R Devanathan, W Setyawan, and F Gao. 2017. “Low Energy Ion-Solid Interactions and Chemistry Effects in a Series of Pyrochlores.” Journal of the American Ceramic Society 100, no. 7:3132-3144. PNNL-SA-123171. doi:10.1111/jace.14836
  • Jiang W, MA Conroy, K. Kruska, NR Overman, TC Droubay, J Gigax, and L Shao, et al. 2017. “Nanoparticle Precipitation in Irradiated and Annealed Ceria Doped with Metals for Emulation of Spent Fuels.” Journal of Physical Chemistry C 121, no. 40:22465-22477. PNNL-SA-126918. doi:10.1021/acs.jpcc.7b06188
  • Jiang W, MA Conroy, R Devanathan, C Taylor, K Hattar, JG Gigax, and L Shao. 2017. “Precipitation of Epsilon Particles in Metal Doped Ceria Irradiated with Energetic Ions.” In Transactions of the American Nuclear Society, June 11-15, 2017, San Francisco, CA, 116, 431-434. La Grange Park, Illinois:American Nuclear Society. PNNL-SA-125926. 
  • Setyawan W, DJ Senor, and R Devanathan. 2017. “Insights on Amorphization of Lithium Aluminate from Atomistic Simulation.” Journal of Physical Chemistry C 121, no. 14:7635-7642. PNNL-SA-122303. doi:10.1021/acs.jpcc.6b12562

2016

  • Devanathan R 2016. “Herbert Frohlich: A Physicist Ahead of his Time [Book Review].” MRS Bulletin 41, no. 2:166. PNNL-SA-114043. 
  • Devanathan R 2016. “Moore's Law: The Life of Gordon Moore, Silicon Valley's Quiet Revolutionary Arnold Thackray, David C Brock, and Rachel Jones [Book Review].” MRS Bulletin 41, no. 5:412-413. PNNL-SA-116343. doi:10.1557/mrs.2016.107
  • Devanathan R 2016. “Review of Nanomaterials in Extreme Environments.” MRS Bulletin 41, no. 10:817-818. PNNL-SA-119224. doi:10.1557/mrs.2016.226
  • Devanathan R, DG Chase-Woods, Y Shin, and DW Gotthold. 2016. “Molecular Dynamics Simulations Reveal that Water Diffusion between Graphene Oxide Layers is Slow.” Scientific Reports 6. PNNL-SA-117768. doi:10.1038/srep29484
  • Dong L, Y Li, R Devanathan, and F Gao. 2016. “Molecular dynamics simulation of the structural, elastic, and thermal properties of pyrochlores.” RSC Advances 6, no. 47:41410-41419. PNNL-SA-116029. doi:10.1039/c6ra04779c
  • Shin Y, W Liu, B Schwenzer, S Manandhar, DG Chase-Woods, MH Engelhard, and R Devanathan, et al. 2016. “Graphene oxide membranes with high permeability and selectivity for dehumidification of air.” Carbon 106. PNNL-SA-112915. doi:10.1016/j.carbon.2016.05.023

2015

  • Bertolus M, M Krack, M Freyss, and R Devanathan. 2015. “Assessment of current atomic scale modelling methods for the investigation of nuclear fuels under irradiation: Example of uranium dioxide.” In State of the Art Report on Multiscale Modeling of Nuclear Fuels, edited by S Massara. 246-276. Paris:OECD Publishing. PNNL-SA-104212. 
  • Devanathan R 2015. “Review of Metals in Past Societies: A Global Perspective on Indigenous African Metallurgy” by Shadreck Chirikure, Springer, 2015. MRS Bulletin 40, no. 10:880. PNNL-SA-111840. doi:10.1557/mrs.2015.251
  • Devanathan R, M Krack, and M Bertolus. 2015. “Classical Molecular Dynamics Simulation of Nuclear Fuel.” In State of the Art Report on Multiscale Modeling of Nuclear Fuels, edited by S Massara. 236-245. Paris:OECD Publishing. PNNL-SA-82914. 
  • Jensen PJ, DJ Sunderland, SB Ross, RO Montgomery, BD Hanson, and R Devanathan. 2015. “Gap Analysis to Support Modeling the Long-Term Degradation of Used Nuclear Fuel Canisters.” In International High-Level Radioactive Waste Management: Real World Solutions for Integrated Management of Used Fuel and HLW, April 12-16, 2015, Charleston, South Carolina. La Grange Park, Illinois:American Nuclear Society. PNNL-SA-106842. 
  • Kurata M, and R Devanathan. 2015. “Free Energy and Heat Capacity.” In State of the Art Report on Multiscale Modeling of Nuclear Fuels, edited by S Massara. 197-208. Paris:OECD Publishing. PNNL-SA-97898. 
  • Lang M, R Devanathan, M Toulemonde, and C Trautmann. 2015. “Advances in Understanding of Swift Heavy-Ion Tracks in Complex Ceramics.” Current Opinion in Solid State and Materials Science 19, no. 1:39-48. PNNL-SA-105245. doi:10.1016/j.cossms.2014.10.002
  • Tran TT, PJ Jensen, BG Fritz, FC Rutz, and R Devanathan. 2015. Evaluation of DUSTRAN Software System for Modeling Chloride Deposition on Steel Canisters. PNNL-24500. Richland, WA: Pacific Northwest National Laboratory. 
  • Yablinsky C, R Devanathan, J Pakarinen, J Gan, D Severin, C Trautmann, and TR Allen. 2015. “Characterization of swift heavy ion irradiation damage in ceria.” Journal of Materials Research 30, no. 9:1473-1484. PNNL-SA-101304. doi:10.1557/jmr.2015.43

2014

  • Siciliano ER, R Devanathan, ZC Guillen, RT Kouzes, and JE Schweppe. 2014. Quality Assurance Procedures for ModCat Database Code Files . PNNL-23353. Richland, WA: Pacific Northwest National Laboratory. 
  • Zarkadoula E, R Devanathan, WJ Weber, M Seaton, I Todorov, K Nordlund, and MT Dove, et al. 2014. “High-energy radiation damage in zirconia: modeling results.” Journal of Applied Physics 115, no. 8:083507. PNNL-SA-96637. doi:10.1063/1.4866989

2013

  • Anheier NC, JD Suter, H Qiao, ES Andersen, EJ Berglin, M Bliss, and BD Cannon, et al. 2013. Technical Readiness and Gaps Analysis of Commercial Optical Materials and Measurement Systems for Advanced Small Modular Reactors. PNNL-22622 Rev. 1. Richland, WA: Pacific Northwest National Laboratory. 
  • Devanathan R, F Gao, and CJ Sundgren. 2013. “Role of cation choice in the radiation tolerance of pyrochlores.” RSC Advances 3, no. 9:2901-2909. PNNL-SA-91744. doi:10.1039/C2RA22745B
  • Devanathan R, NB Idupulapati, MD Baer, CJ Mundy, and M Dupuis. 2013. “Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane.” Journal of Physical Chemistry B 117, no. 51:16522-16529. PNNL-SA-98829. doi:10.1021/jp410229u
  • Guedes S, P Moreira, R Devanathan, WJ Weber, and JC Hadler. 2013. “Improved zircon fission-track annealing model based on reevaluation of annealing data.” Physics and Chemistry of Minerals 40, no. 2:93-106. PNNL-SA-92276. doi:10.1007/s00269-012-0550-8
  • Jiang W, R Devanathan, CJ Sundgren, M Ishimaru, K Sato, T Varga, and S Manandhar, et al. 2013. “Ion Tracks and Microstructures in Barium Titanate Irradiated with Swift Heavy Ions: A Combined Experimental and Computational Study.” Acta Materialia 61, no. 20:7904-7916. PNNL-SA-93841. doi:10.1016/j.actamat.2013.09.029

2012

  • Devanathan R, and M Dupuis. 2012. “Insight from molecular modelling: does the polymer side chain length matter for transport properties of perfluorosulfonic acid membranes?.” Physical Chemistry Chemical Physics. PCCP 14, no. 32:11281-11295. PNNL-SA-83377. doi:10.1039/C2CP24132C
  • Devanathan R, NB Idupulapati, and M Dupuis. 2012. “Molecular modeling of the morphology and transport properties of two direct methanol fuel cell membranes: phenylated sulfonated poly(ether ether ketone ketone) versus Nafion.” Journal of Materials Research 27, no. 15:1927-1938. PNNL-SA-85255. doi:10.1557/jmr.2012.165
  • Du J, R Devanathan, LR Corrales, and WJ Weber. 2012. “First-principles calculations of the electronic structure, phase transition and properties of ZrSiO4 polymorphs.” Computational and Theoretical Chemistry 987, no. 1:62-70. PNNL-SA-78940. doi:10.1016/j.comptc.2011.03.033
  • Gao F, HY Xiao, Y Zhou, R Devanathan, SY Hu, Y Li, and X Sun, et al. 2012. “Ab Initio Study of Defect Properties in YPO4.” Computational Materials Science 54. PNNL-SA-83433. doi:10.1016/j.commatsci.2011.10.005
  • Kumar A, R Devanathan, V Shutthanandan, SN Kuchibhatla, AS Karakoti, Y Yang, and S Thevuthasan, et al. 2012. “Radiation-Induced Reduction of Ceria in Single and Polycrystalline Thin Films.” Journal of Physical Chemistry C 116, no. 1:361-366. PNNL-SA-77391. doi:10.1021/jp209345w

2011

  • Costantini J, F Beuneu, SE Morrison-Smith, R Devanathan, and WJ Weber. 2011. “Paramagnetic defects in electron-irradiated yttria-stabilized zirconia: Effect of yttria content.” Journal of Applied Physics 110, no. 12:Article No. 123506. PNNL-SA-77664. doi:10.1063/1.3666062
  • Devanathan R, F Gao, and X Sun. 2011. Challenges in Modeling the Degradation of Ceramic Waste Forms. PNNL-20738. Richland, WA: Pacific Northwest National Laboratory. 
  • Idupulapati NB, R Devanathan, and M Dupuis. 2011. “Atomistic Simulations of Perfluoro Phosphonic and Phosphinic Acid Membranes and Comparisons to Nafion.” Journal of Physical Chemistry B 115, no. 12:2959-2969. PNNL-SA-76901. 
  • Idupulapati NB, R Devanathan, and M Dupuis. 2011. “Molecular Structure and Transport Dynamics in Perfluoro Sulfonyl Imide Membranes.” Journal of Physics: Condensed Matter 23, no. 23:Article No. 234106. PNNL-SA-73759. doi:10.1088/0953-8984/23/23/234106
  • Lee C, RK Behera, S Okamoto, R Devanathan, ED Wachsman, SR Phillpot, and SB Sinnott. 2011. “Stabilization mechanisms of LaFeO3 (010) surfaces determined with first principles calculations.” Journal of the American Ceramic Society 94, no. 6:1931-1939. PNNL-SA-70847. doi:10.1111/j.1551-2916.2010.04318.x
  • Lins RD, R Devanathan, and M Dupuis. 2011. “Modeling the Nanophase Structural Dynamics of Phenylated Sulfonated Poly Ether Ether Ketone Ketone (Ph-SPEEKK) Membranes as a Function of Hydration.” Journal of Physical Chemistry B 115, no. 8:1817-1824. PNNL-SA-76059. doi:10.1021/jp110331m
  • Moore EE, LR Corrales, T Desai, and R Devanathan. 2011. “Molecular dynamics simulation of Xe bubble nucleation in nanocrystalline UO2 nuclear fuel.” Journal of Nuclear Materials 419, no. 1-3:140-144. PNNL-SA-80118. doi:10.1016/j.jnucmat.2011.08.052
  • Sanghavi RP, R Devanathan, MI Nandasiri, SN Kuchibhatla, L Kovarik, S Thevuthasan, and S Prasad. 2011. “Integrated experimental and modeling study of the ionic conductivity of samaria-doped ceria thin films.” Solid State Ionics 204-205. PNNL-SA-76714. doi:10.1016/j.ssi.2011.10.007

2010

  • Chang T, LX Dang, R Devanathan, and M Dupuis. 2010. “Structure and Dynamics of N, N-diethyl-N-methylammonium Triflate Ionic Liquid, Neat and with Water, from Molecular Dynamics Simulations.” Journal of Physical Chemistry A 114, no. 48:12764-12774. PNNL-SA-75089. doi:10.1021/jp108189z
  • Devanathan R 2010. “Proton Exchange Membranes for Fuel Cells.” In Energy Production and Storage - Inorganic Chemical Strategies for a Warming World, edited by RH Crabtree. 89-100. Hoboken, New Jersey:Wiley. PNNL-SA-68801. 
  • Devanathan R, A Venkatnathan, RJ Rousseau, M Dupuis, T Frigato, W Gu, and VH Helms. 2010. “Atomistic Simulation of Water Percolation and Proton Hopping in Nafion Fuel Cell Membrane.” Journal of Physical Chemistry B 114, no. 43:13681-13690. PNNL-SA-71730. doi:10.1021/jp103398b
  • Devanathan R, and WJ Weber. 2010. “Simulation of collision cascades and thermal spikes in ceramics.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 268, no. 19:2857-2862. PNNL-SA-69785. doi:10.1016/j.nimb.2010.05.047
  • Devanathan R, F Gao, X Sun, and MA Khaleel. 2010. Fundamental Science-Based Simulation of Nuclear Waste Forms. PNNL-19740. Richland, WA: Pacific Northwest National Laboratory. 
  • Devanathan R, L Van Brutzel, A Chartier, C Gueneau, AE Mattsson, V Tikare, and T Bartel, et al. 2010. “Modeling and Simulation of Nuclear Fuel Materials.” Energy & Environmental Science 3, no. 10:1406-1426. PNNL-SA-71998. doi:10.1039/C0EE00028K
  • Devanathan R, WJ Weber, and JD Gale. 2010. “Radiation tolerance of ceramics-Insights from atomistic simulation of damage accumulation in pyrochlores.” Energy & Environmental Science 3, no. 10:1551-1559. PNNL-SA-72579. doi:10.1039/C0EE00066C
  • Hu SY, Y Li, X Sun, F Gao, R Devanathan, CH Henager, and MA Khaleel. 2010. “Application of Phase-field Method in Predicting Gas Bubble Microstructure Evolution in Nuclear Fuels.” International Journal of Materials Research 10, no. 4:515-522. PNNL-SA-69082. 
  • Idupulapati NB, R Devanathan, and M Dupuis. 2010. “Ab Initio Study of Hydration and Proton Dissociation in Ionomer Membranes.” Journal of Physical Chemistry A 114, no. 25:6904-6912. PNNL-SA-71804. 
  • Moreira PA, R Devanathan, and WJ Weber. 2010. “Atomistic Simulation of Track Formation by Energetic Recoils in Zircon.” Journal of Physics: Condensed Matter 22, no. 39:Art. No. 395008. PNNL-SA-73825. doi:10.1088/0953-8984/22/39/395008
  • Yu Z, R Devanathan, W Jiang, P Nachimuthu, V Shutthanandan, LV Saraf, and CM Wang, et al. 2010. “Integrated Experimental and Modeling Study of Ionic Conductivity of Scandia-Stabilized Zirconia Thin Films.” Solid State Ionics 181, no. 8-10:367-371. PNNL-SA-68380. doi:10.1016/j.ssi.2010.01.024
  • Zhang J, M Lang, RC Ewing, R Devanathan, WJ Weber, and M Toulemonde. 2010. “Nanoscale Phase Transitions under Extreme Conditions within an Ion Track.” Journal of Materials Research 25, no. 7:1344-1351. PNNL-SA-69791. 

2009

  • Devanathan R 2009. “Radiation damage evolution in ceramics.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 267, no. 18:3017-3021. PNNL-SA-63340. doi:10.1016/j.nimb.2009.06.020
  • Devanathan R, J Yu, and WJ Weber. 2009. “Energetic recoils in UO2 simulated using five different potentials.” Journal of Chemical Physics 130, no. 17:Art. No. 174502. PNNL-SA-64852. doi:10.1063/1.3125967
  • Devanathan R, S Thevuthasan, and JD Gale. 2009. “Defect Interactions and Ionic Transport in Scandia Stabilized Zirconia.” Physical Chemistry Chemical Physics. PCCP 11, no. 26:5506-5511. PNNL-SA-64603. 
  • Moreira PA, R Devanathan, J Yu, and WJ Weber. 2009. “Molecular dynamics simulation of threshold displacement energies in zircon.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 267, no. 20:3431-3436. PNNL-SA-66421. doi:10.1016/j.nimb.2009.07.023
  • Yu J, R Devanathan, and WJ Weber. 2009. “First-principles study of defects and phase transition in UO2.” Journal of Physics: Condensed Matter 21, no. 43:Art. No. 435401. PNNL-SA-64634. doi:10.1088/0953-8984/21/43/435401
  • Yu J, R Devanathan, and WJ Weber. 2009. “Unified Interatomic Potential for Zircon, Zirconia and Silica Systems.” Journal of Materials Chemistry 19, no. 23:3923-3930. PNNL-SA-64569. doi:10.1039/b902767j

2008

  • Devanathan R 2008. “Recent developments in proton exchange membranes for fuel cells.” Energy & Environmental Science 1, no. 1:101-119. PNNL-SA-60497. doi:10.1039/b808149m
  • Devanathan R, and WJ Weber. 2008. “Dynamic annealing of defects in irradiated zirconia-based ceramics.” Journal of Materials Research 23, no. 3:593-597. PNNL-SA-55984. doi:10.1557/JMR.2008.0104
  • Gao F, LW Campbell, Y Xie, R Devanathan, AJ Peurrung, and WJ Weber. 2008. “Electron-Hole Pairs Created by Photons and Intrinsic Properties in Detector Materials.” IEEE Transactions on Nuclear Science 55, no. 3:1079-1085. PNNL-SA-57212. doi:10.1109/TNS.2007.908917

2007

  • Campbell LW, F Gao, R Devanathan, and WJ Weber. 2007. “Model of Plasmon Decay for Electron Cascade Simulation.” Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 579, no. 1:454-457. PNNL-SA-52274. doi:10.1016/j.nima.2007.04.095
  • Devanathan R, A Venkatnathan, and M Dupuis. 2007. “Atomistic Simulation of Nafion Membrane: 2. Dynamics of Water Molecules and Hydronium Ions.” Journal of Physical Chemistry B 111, no. 45:13006-13013. PNNL-SA-56422. doi:10.1021/jp0761057
  • Devanathan R, A Venkatnathan, and M Dupuis. 2007. “Atomistic Simulation of Nafion Membrane: I. Effect of Hydration on Membrane Nanostructure.” Journal of Physical Chemistry B 111, no. 28:8069-8079. PNNL-SA-54612. doi:10.1021/jp0726992
  • Devanathan R, and WJ Weber. 2007. “Radiation Effects in a Model Ceramic for Nuclear Waste Disposal.” JOM. The Journal of the Minerals, Metals and Materials Society 59, no. 4:32-35. PNNL-SA-53726. 
  • Devanathan R, F Gao, and WJ Weber. 2007. “Atomistic modeling of amorphous silicon carbide using a bond-order potential.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms255, no. 1:130-135. PNNL-SA-50795. doi:10.1016/j.nimb.2006.11.045
  • Devanathan R, P Durham, J Du, LR Corrales, and EM Bringa. 2007. “Molecular dynamics simulation of amorphization in forsterite by cosmic rays.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 255, no. 1:172-176. PNNL-SA-55042. doi:10.1016/j.nimb.2006.11.021
  • Gao F, LW Campbell, R Devanathan, Y Xie, L Corrales, AJ Peurrung, and WJ Weber. 2007. “Monte Carlo Method For Simulating Gamma-Ray Interaction With Materials: A Case Study on Si.” Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 579, no. 1:292-296. PNNL-SA-50153. doi:10.1016/j.nima.2007.04.063
  • Gao F, LW Campbell, R Devanathan, Y Xie, Y Zhang, AJ Peurrung, and WJ Weber. 2007. “Gamma-Ray Interaction in Ge: A Monte Carlo Simulation.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 255, no. 1:286-290. PNNL-SA-50972. doi:10.1016/j.nimb.2006.11.031
  • Gao F, Y Zhang, R Devanathan, M Posselt, and WJ Weber. 2007. “Atomistic Simulations of Epitaxial Recrystallization in 4H-SiC along the [0001] Direction.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 255, no. 1:136-140. PNNL-SA-50913. doi:10.1016/j.nimb.2006.11.016
  • Venkatnathan A, R Devanathan, and M Dupuis. 2007. “Atomistic Simulations of Hydrated Nafion and Temperature Effects on Hydronium Ion Mobility.” Journal of Physical Chemistry B 111, no. 25:7234-7244. PNNL-SA-53307. doi:10.1021/jp0700276
  • Weber WJ, LR Corrales, R Devanathan, F Gao, and HL Heinisch. 2007. COMPUTER SIMULATION OF RADIATION EFFECTS IN SOLIDS, Proceedings of the Eighth International Conference on Computer Simulations of Radiation Effects in Solids (COSIRES 2006) - Nuclear Instruments and Methods in Physics Research, Section B Vol. 255, Issue 1 (2007). Amsterdam:Elsevier. PNNL-SA-52635. 
  • Zhang Y, F Gao, R Devanathan, and WJ Weber. 2007. “A Fast Screening Technique to Evaluate Detector Response.” Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 579, no. 1:108-112. PNNL-SA-50187. doi:10.1016/j.nima.2007.04.019

2006

  • Corrales LR, and R Devanathan. 2006. “Characterization of Energy Conservation in Primary Knock-On Atom Cascades: Ballistic Phase Effects on Variable Time Steps.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 250, no. 1-2:6-11. PNNL-SA-46662. doi:10.1016/j.nimb.2006.04.075
  • Devanathan R, LR Corrales, F Gao, and WJ Weber. 2006. “Signal Variance in Gamma Ray Detectors - A Review.” Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 565, no. 2:637-649. PNNL-SA-49662. doi:10.1016/j.nima.2006.05.085
  • Devanathan R, LR Corrales, WJ Weber, A Chartier, and C Meis. 2006. “Atomistic Simulation of Collision Cascades in Zircon.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 250, no. 1-2:46-49. PNNL-SA-47036. doi:10.1016/j.nimb.2006.04.109
  • Devanathan R, LR Corrales, WJ Weber, A Chartier, and C Meis. 2006. “Molecular Dynamics Simulation of Energetic Uranium Recoil Damage in Zircon.” Molecular Simulation 32, no. 12-13:1069-1077. PNNL-SA-50764. 
  • Devanathan R, WJ Weber, S.C Singhal, and JD Gale. 2006. “Computer Simulation of Defects and Oxygen Transport in Yttria-Stabilized Zirconia.” Solid State Ionics 177, no. 15-16:1251-1258. PNNL-SA-49558. doi:10.1016/j.ssi.2006.06.030
  • Du J., R Devanathan, LR Corrales, WJ Weber, and AN Cormack. 2006. “Short- and medium-range structure of amorphous zircon from molecular dynamics simulations.” Physical Review. B, Condensed Matter 74, no. 21:art. no.:214204, (14 pages). PNNL-SA-49119. doi:10.1103/PhysRevB.74.214204
  • Gao F, R Devanathan, T Oda, and WJ Weber. 2006. “Development of Partial-Charge Potential for GaN.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 250, no. 1-2:50-53. PNNL-SA-46767. doi:10.1016/j.nimb.2006.04.082
  • Gao F, R Devanathan, Y Zhang, M Posselt, and WJ Weber. 2006. “Atomic-Level Simulation of Epitaxial Recrystallization and Phase Transformation in SiC.” Journal of Materials Research 21, no. 6:1420-1426. PNNL-SA-46795. doi:10.1557/JMR.2006.0176

2005

  • Corrales LR, A Chartier, and R Devanathan. 2005. “Excess kinetic energy dissipation in materials.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 228, no. 1-4:274-281. PNNL-SA-42145. 
  • Devanathan R, and WJ Weber. 2005. “Computational and Experimental Studies of the Radiation Response of Gd2Ti2O7 Pyrochlore.” In Environmental Issues and Waste Management Technologies in the Ceramic and Nuclear Industries XI, Ceramic Transactions, edited by CC Herman, S Marra, DR Spearing, L Vance, and JD Vienna, 176, 43-54. Westerville, Ohio:The American Ceramic Society. PNNL-SA-45177. 
  • Devanathan R, and WJ Weber. 2005. “Insights into the Radiation Response of Pyrochlores from Calculations of Threshold Displacement Events.” Journal of Applied Physics 98, no. 8:086110. PNNL-SA-45842. 
  • Devanathan R, F Gao, and WJ Weber. 2005. “Computer Simulation of Displacement Damage in Silicon Carbide.” In Materials for Space Applications, November 29-December 3, 2004, Boston, Massachusetts, U.S.A. Materials Research Society Symposium Proceedings, edited by M Chipara, D L Edwards, S Phillips, and R Benson, 851, 317-322. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-43546. 
  • Devanathan R, LR Corrales, WJ Weber, A Chartier, and C Meis. 2005. “Molecular Dynamics Simulation of Defect Production in Collision Cascades in Zircon.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 228, no. 1-4:299-303. PNNL-SA-42091. 
  • Gao F, R Devanathan, Y Zhang, and WJ Weber. 2005. “Annealing Simulations of Nano-Sized Amorphous Structures in SiC.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 228, no. 1-4:282-287. PNNL-SA-42095. 
  • Thomas BS, N.A Marks, LR Corrales, and R Devanathan. 2005. “Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 239, no. 3:191-201. PNNL-SA-43979. 
  • Weber WJ, F Gao, R Devanathan, W Jiang, and Y Zhang. 2005. “Defects and Ion-Solid Interactions in Silicon Carbide.” Materials Science Forum 475-479, no. 1-5:1345-1350. PNNL-SA-41633. 

2004

  • Devanathan R, F Gao, and WJ Weber. 2004. “Amorphization of Silicon Carbide by Carbon Displacement.” Applied Physics Letters 84, no. 19:3909-3911. PNNL-SA-40108. 
  • Devanathan R, F Gao, and WJ Weber. 2004. “Molecular Dynamics Simulation of Point Defect Accumulation in 3C-SiC.” In Radiation Effects and Ion Beam Processing of Materials, Materials Research Society Symposium Proceedings held December 1-5, 2003, Boston, Massachusetts, edited by LM Wang, R Fromknecht, LL Snead, DF Downey and H Takahashi, 792, 479-484, Paper No. R4.1. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-40161. 
  • Devanathan R, LR Corrales, WJ Weber, A Chartier, and C Meis. 2004. “Molecular Dynamics Simulation of Disordered Zircon.” Physical Review. B, Condensed Matter and Materials Physics 69, no. 6:064115, 1-9. PNNL-SA-39522. 
  • Weber WJ, F Gao, R Devanathan, and W Jiang. 2004. “The Efficiency of Damage Production in Silicon Carbide.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 218. PNNL-SA-39500. 
  • Weber WJ, F Gao, R Devanathan, W Jiang, and CM Wang. 2004. “Ion-Beam Induced Defects and Nanoscale Amorphous Clusters in Silicon Carbide.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 216. PNNL-SA-38842. 
  • Weber WJ, F Gao, R Devanathan, W Jiang, and Y Zhang. 2004. “Experimental and Computational Studies of Ion-Solid Interactions in Silicon Carbide.” In Radiation Effects and Ion Beam Processing of Materials, Materials Research Society Symposium Proceedings held December 1-5, 2003, Boston, Massachusetts, edited by LM Wang, R Fromknecht, LL Snead, DF Downey and H Takahashi, 792, 261-271, Paper No. R5.1. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-40162. 
  • Zhang Y, V Shutthanandan, R Devanathan, S Thevuthasan, DE McCready, JS Young, and G Balakrishnan, et al. 2004. “Damage Accumulation and Amorphization in Samarium Titanate Pyrochlore.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 218. PNNL-SA-39437. doi:10.1016/j.nimb.2003.12.003
  • Zhang Y, V Shutthanandan, S Thevuthasan, DE McCready, JS Young, R Devanathan, and JD Andreasen, et al. 2004. “Damage Evolution and Annealing of Au-Irradiated Samarium Titanate Pyrochlore.” In Radiation Effects and Ion Beam Processing of Materials, Materials Research Society Symposium Proceedings, held December 1-5, 2003, Boston, Massachusetts, edited by LM Wang, R Fromknecht, LL Snead, DF Downey and H Takahashi, 792, 69-74, Paper No. R2.4. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-40141. 
  • Zhang Y, WJ Weber, V Shutthanandan, R Devanathan, S Thevuthasan, G Balakrishnan, and DM Paul. 2004. “Damage Evolution on Sm and O Sublattices in Au-Implanted Samarium Titanate Pyrochlore.” Journal of Applied Physics 95, no. 5:2866-2872. PNNL-SA-39190. 

2002

  • Devanathan R, WJ Weber, and LR Corrales. 2002. “Atomistic Simulation of Displacement Cascades in Zircon.” In Scientific Basis for Nuclear Waste Management XXV, Materials Research Society Symposium Proceedings, edited by BP McGrail and GA Cragnolino, 713, 513-520, paper no. JJ11.36. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-35574. 
  • Gao F, WJ Weber, and R Devanathan. 2002. “Defect Production, Multiple Ion-Solid Interactions and Amorphization in SiC.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 191, no. 1-4:487-496. PNNL-SA-35150. 
  • Weber WJ, F Gao, W Jiang, and R Devanathan. 2002. “Experimental and Computer Simulation Studies of Defects and Ion-Solid Interactions in Silicon Carbide.” In Silicon Carbide and Related Materials 2001, Materials Science Forum, edited by S Yoshida, S Nishino, H Harima, and T Kimoto, 389-393, 875-878. Uetikon-Zuerich:Trans Tech Publications Ltd. PNNL-SA-35343. 
  • Weber WJ, W Jiang, F Gao, and R Devanathan. 2002. “Ion-Solid Interactions and Defects in Silicon Carbide.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 190, no. 1-4:261-265. PNNL-SA-35012. 

2001

  • Begg BD, NJ Hess, WJ Weber, R Devanathan, JP Icenhower, S Thevuthasan, and BP McGrail. 2001. “Heavy-Ion Irradiation Effects on Structures and Acid Dissolution of Pyrochlores.” Journal of Nuclear Materials 288, no. 2-3:208-216. PNNL-SA-32958. 
  • Devanathan R, F Gao, and WJ Weber. 2001. “Computer Simulation Of Energy Dependence Of Primary Damage States In SiC.” In Microstructural Processes in Irradiated Materials--Symposium, 27-29 Nov. 2000, Boston, MA, USA, Materials Research Society Symposium Proceedings, edited by GE Lucas, LL Snead, MA Kirk, RG Elliman, 650, R3.22(1-6). Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-34011. 
  • Devanathan R, WJ Weber, and F Gao. 2001. “Atomic Scale Simulation of Defect Production in Irradiated 3C-SiC.” Journal of Applied Physics 90, no. 5:2303-2309. PNNL-SA-34404. 
  • Gao F, R Devanathan, and WJ Weber. 2001. “Si Displacement Cascades Revealed by Atomic-Scale Simulation in 3C-SiC.” Fusion Technology 39, no. 2:574-578. PNNL-SA-33765. 
  • Gao F, WJ Weber, and R Devanathan. 2001. “Atomic-Scale Simulation of Displacement Cascades and Amorphization in Beta-SiC.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms180, no. 1-4:176-186. PNNL-SA-33419. 
  • Weber WJ, F Gao, W Jiang, and R Devanathan. 2001. “Experimental and Computational Studies of Radiation Effects in Silicon Carbide.” In PRICM 4: Fourth Pacific Rim International Conference on Advanced Materials and Processing, edited by S. Hanada, Z Zhong, SW Nam and RN Wright, 1 & 2, 1359-1362. Sendai, :The Japan Institute of Metals. PNNL-SA-34986. 

2000

  • Begg BD, WJ Weber, R Devanathan, JP Icenhower, S Thevuthasan, and BP McGrail. 2000. “Heavy-Ion Irradiation Effects in Pyrochlores.” In Environmental Issues and Waste Management Technologies in the Ceramic and Nuclear Industries V, Ceramic Transactions, edited by G.T. Chandler and X. Feng, 107, 553-560. Westerville, Ohio:The American Ceramic Society. PNNL-SA-31013. 
  • Devanathan R, and WJ Weber. 2000. “Displacement Energy Surface in 3C and 6H SiC.” Journal of Nuclear Materials 278, no. 2-3:258-265. PNNL-SA-31546. 
  • Weber WJ, L Corrales, NJ Ness, RE Williford, HL Heinisch, S Thevuthasan, and JP Icenhower, et al. 2000. Radiation Effects in Nuclear Waste Materials. PNNL-13345. Richland, WA: Pacific Northwest National Laboratory. 

1999

  • Devanathan R, WJ Weber, and T Diaz De La Rubia. 1999. “Atomistic Simulation of Defect Production in Beta-SiC.” In Atomistic Mechanisms in Beam Synthesis and Irradiation of Materials; Materials Research Society Symposium Proceedings, edited by JC Barbour, S Roorda, D Ila,, 504, 45-50. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-29650. 
  • Weber WJ, R Devanathan, A Meldrum, LA Boatner, RC Ewing, and LM Wang. 1999. “The Effect of Temperature and Damage Energy on Amorphization in Zircon.” In Microstructural Processes in Irradiated Materials, Materials Research Society Symposium Proceedings, edited by SJ Zinkle, GE Lucas, RC Ewing, JS Williams, 540, 367-372. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-30636. 
  • Williford RE, WJ Weber, R Devanathan, and AN Cormack. 1999. “Native Vacancy Migrations in Zircon.” Journal of Nuclear Materials 273. PNNL-SA-30500. 
  • Williford RE, WJ Weber, R Devanathan, and JD Gale. 1999. “Effects of Cation Disorder on Oxygen Vacancy Migration in Gd2Ti2O7.” Journal of Electroceramics 3, no. 4:409-424. PNNL-SA-30516. 
  • Williford RE, WJ Weber, R Devanathan, and JD Gale. 1999. “Oxygen Vacancy Migration in Disordered Gd2(ZrxTi1-x)2O7.” In Multiscale Modeling of Materials; Materials Research Society Symposium Proceedings, edited by VT D de la Rubia, T Kaxiras, V Bulatov, et al, 538, 235-240. Warrendale, Pennsylvania:Materials Research Society. PNNL-SA-30597. 

1998

  • Devanathan R, JN Mitchell, KE Sickafus, WJ Weber, and M Nastasi. 1998. “Radiation Response of FeTiO3 MgTiO3 and Alpha-Al2O3.” Materials Science and Engineering. A. Structural Materials: Properties, Microstructure and Processing 253, no. 1-2:131-134. PNNL-SA-29710. 
  • Devanathan R, KE Sickafus, KE Sickafus, WJ Weber, M Nastasi, and M Nastasi. 1998. “Effects of Ionizing Radiation in Ceramics.” Journal of Nuclear Materials 253, no. 1-3:113-119. PNNL-SA-20404. doi:10.1016/S0022-3115(97)00307-3
  • Devanathan R, T Diaz De La Rubia, and WJ Weber. 1998. “Displacement Threshold Energies in ß-SiC.” Journal of Nuclear Materials 253, no. 1-3:47-52. PNNL-SA-29406. doi:10.1016/S0022-3115(97)00304-8
  • Devanathan R, WJ Weber, and T Diaz De La Rubia. 1998. “Computer Simulation of a 10 keV Si Displacement Cascade in SiC.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 141, no. 1-4:118-122. PNNL-SA-29405. doi:10.1016/S0168-583X(98)00084-6
  • Devanathan R, WJ Weber, KE Sickafus, KE Sickafus, M Nastasi, M Nastasi, and LM Wang, et al. 1998. “Cryogenic Radiation Response of Sapphire.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 141, no. 1-4:366-371. PNNL-SA-29463. doi:10.1016/S0168-583X(98)00190-6
  • Williford RE, R Devanathan, and WJ Weber. 1998. “Computer Simulation of Displacement Energies for Several Ceramic Materials.” Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms141, no. 1-4:94-98. PNNL-SA-29381. doi:10.1016/S0168-583X(98)00066-4