U.S. Department of Energy

Pacific Northwest National Laboratory

NPSI Publications

Journal Articles

Reilly, D.D., M.T. Athon, J.F. Corbey, I.I. Leavy, K.M. McCoy, J.M. Schwantes. 2018. "Trace Element Migration During UF4 Bomb Reduction: Implications to Metal Fuel Production, Worker Health and Safety, and Nuclear Forensics," Journal of Nuclear Materials, 510: 156-162. DOI: 10.1016/j.jnucmat.2018.07.052.

Garrett, K.E., A.M. Ritzmann, F.N. Smith, S.H. Kessler, R. Devanathan, J.J. Henson, D. Abrecht.   2018. "First principles investigation of the structural and electronic properties of hydrated actinide (IV) oxalates, An(C2O4)2.6 H2O (An = U, Pu)," Computational Materials Science Journal, 153:146-152.  DOI: 10.1016/j.commatsci.2018.06.033.

Prange, M.P., X. Zhang, E.S. Ilton, L. Kovarik, M.H. Engelhard, S.N. Kerisit.  2018. “Electronic Response of Aluminum-Bearing Minerals," Journal of Chemical Physics, 149(2): 024502.  DOI: 10.1063/1.5037104. 

Buck, E.C., R.S. Wittman, C.Z. Soderquist, B.K. McNamara.  2018. "Monitoring Bromide Effect on Radiolytic Yields using in-situ Observations of Uranyl Oxide Precipitation in the Electron Microscope," RSC Advances, 8:18227-18233.  DOI: 10.1039/c8ra01706a

Nelson, G.L., S.E. Asmussen, A.M. Lines, A.J. Casella, D.R. Bottenus, S.B. Clark, S.A. Bryan.  2018. “Micro-Raman technology to Interrogate Two-Phase Extraction on a Microfluidic Device,Analytical Chemistry. DOI: 10.1021/acs.analchem.7b04330. On Cover of Journal.

Prange, M.P., X. Zhang, M.E. Bowden, Z. Shen, E.S. Ilton, S.N. Kerisit.  2018. “Predicting Surface Energies and Particle Morphologies of Boehmite (γ­AlOOH) from Density Functional Theory,” Journal of Physical Chemistry C. 122(19): 10400-10412. DOI: 10.1021/acs.jpcc.8b00278.

Garrett, K., D. Abrecht, S. Kessler, N. Henson, R. Devanathan, J. Schwantes, D. Reilly.  2018. “Carbon diffusion in molten uranium: an ab initio molecular dynamics study." Modeling and Simulation in Materials Science and Engineering. 26(3). DOI: 10.1088/1361-651X/aaad72.

Soltis J.A., W.C. Isley, M. Conroy, S.M. Kathmann, E.C. Buck, G.J. Lumetta2018. “In situ Microscopy Across Scales for the Characterization of Crystal Growth Mechanisms: The Case of Europium Oxalate.” CrystEngComm. 20:2822-2833. DOI: 10.1039/C7CE01450C

Pednekar, S., J. Chun, J.F. Morris.  2018. “Bidisperse and polydisperse suspension rheology at large solid fraction," Journal of Rheology, 62(2):513-526. DOI: 10.1122/1.5011353.

Peterson, R.D., E. Buck, J. Chun, R. Daniel, D. Herting, E. Ilton, G. Lumetta, S. Clark.  2017.  “Review of the Scientific Understanding of Radioactive Waste at the U.S. DOE Hanford Site,” Environmental Science & Technology, 52(2):381-396.DOI10.1021/acs.est.7b04077.

Wu Z, J. Chun, S. Chatterjee, D. Li.  2017.  “Fabrication of Oriented Crystals as Force Measurement Tips via Focused Ion Beam and Microlithography Methods,” Surface and Interface Analysis, 50(1): 117-122.  DOI: 10.1002/sia.6346.

Conroy M.A., J.A. Soltis, R.S. Wittman, F.N. Smith, S. Chatterjee, X. Zhang, E.S. Ilton and E.C. Buck. 2017.  "Importance of Interlayer H Bonding Structure to the Stability of Layered Minerals,” Scientific Reports, 7(1): 13274. DOI: 10.1038/s41598-017-13452-7.


Jiang W, M.A. Conroy, K. Kruska, N.R. Overman, T.C. Droubay, J. Gigax, L. Shao, R. Devanathan. 2017.  “Nanoparticle Precipitation in Irradiated and Annealed Ceria Doped with Metals for Emulation of Spent Fuels,” Journal of Physical Chemistry C., 121(40): 22465-22477.  DOI: 10.1021/acs.jpcc.7b06188

Yao J, B. Arey, R. Komorek, F. Zhang, J. Chun, X.Y. Yu. 2017.  “In Situ Characterization of Boehmite Particles in Water Using Liquid SEM,” Journal of Visualized Experiments, 127: e56058. DOI: 10.3791/56058.

Shen Z, E.S. Ilton, M.P. Prange,, S.N. Kerisit. 2017.  “Molecular Dynamics Simulations of the Interfacial Region Between Boehmite and Gibbsite Basal Surfaces and High Ionic Strength Aqueous Solutions,” Journal of Physical Chemistry C, 121(25): 13692–13700. DOI: 10.1021/acs.jpcc.7b02463.

Pednekar S., J. Chun, J. Morris. 2017.  “Simulation of Shear Thickening in Attractive Colloidal Suspensions,” Soft Matter, 13(9):1773-1779. DOI: 10.1039/C6SM02553F. (Image from article used in inside front cover).  

Devanathan, R. 2017.  “Molecular Dynamics Simulation of Fission Fragment Damage in Nuclear Fuel and Surrogate Material,” Materials Research Society Advances, 2(21-22): 1225-1230. DOI10.1557/adv.2017.9.

Kessler S., D.G. Abrecht, R.A. Clark, J.M. Schwantes. 2016. “Vibrational Contributions to Phase Stability in the Mo-Ru System,” Journal of Alloys and Compounds, 689:969–976. DOI: 10.1016/j.jallcom.2016.08.071.

Buck E.C., E.J. Mausolf, B.K. McNamara, C.Z. Soderquist, J.M. Schwantes. 2016.  “Sequestration of Radioactive Iodine in a Silver-Palladium Phase in Commercial Spent Nuclear Fuel," Journal of Nuclear Materials, 482(2016):229-235. DOI: 10.1016/j.jnucmat.2016.10.029. Alligned with R.A. Clark.

Chatterjee S., M.A. Conroy, F.N. Smith, H.J. Jung, Z. Wang, D.G. Burtt, A. Huq, E.S.Ilton, and E.C. Buck. 2016.  "Can Cr(III) Substitute for Al(III) in the Structure of Boehmite?" RSC Advances, 6(109):107628-107637. DOI: 10.1039/C6RA20234A.

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