Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds von Christian, Matthew S, Johnson, Erin R, Besmann, Theodore M

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Understanding the interface interaction between U3Si2 fuel and SiC cladding von Kocevski, Vancho, Lopes, Denise A., Claisse, Antoine J., Besmann, Theodore M.

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Hierarchical Materials as Tailored Nuclear Waste Forms: A Perspective von zur Loye, Hans-Conrad, Besmann, Theodore, Amoroso, Jake, Brinkman, Kyle, Grandjean, Agnès, Henager, Charles H, Hu, Shenyang, Misture, Scott T, Phillpot, Simon R, Shustova, Natalia B, Wang, Hui, Koch, Robert J, Morrison, Gregory, Dolgopolova, Ekaterina

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Flux Growth of Uranyl Titanates: Rare Examples of TiO4 Tetrahedra and TiO5 Square Bipyramids von Morrison, Gregory, Christian, Matthew S, Besmann, Theodore M, zur Loye, Hans-Conrad

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Rb2Ln[Si2O6]F (Ln = Y, Eu–Lu): Flux Synthesis, Structure Determination, and DFT-Calculated Formation Enthalpies of a Series of Mixed-Anion Rare Earth Cyclosilicates von Tisdale, Hunter B., Mofrad, Amir M., Morrison, Gregory, Besmann, Theodore M., zur Loye, Hans-Conrad

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Thermochemically-informed mass transport model for interdiffusion of U and Zr in irradiated U-Pu-Zr fuel with fission products von Poschmann, Max, Piro, Markus H.A., Besmann, Theodore M., Clarno, Kevin T., Simunovic, Srdjan

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Alkaline earth ion exchange study of pure silica LTA zeolites using periodic first-principles calculations von Kocevski, Vancho, Hu, Shenyang Y, Besmann, Theodore M

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Investigation of Rare Earth-Containing Double Phosphates of the Type A3Ln(PO4)2 (Ln = Y, La, Pr, Nd, and Sm–Lu) as Potential Nuclear Waste Forms von Tisdale, Hunter B, Christian, Matthew S, Morrison, Gregory, Besmann, Theodore M, Sun, Kai, Was, Gary S, zur Loye, Hans-Conrad

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Thermodynamic assessment of the Na2O-Al2O3-SiO2-B2O3 pseudo-binary and -ternary systems von Utlak, Stephen A., Besmann, Theodore M.

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Thermodynamic assessment of the pseudoternary Na2O–Al2O3–SiO2 system von Utlak, Stephen A., Besmann, Theodore M.

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Developing Waste Forms for Transuranic Elements: Quaternary Neptunium Fluorides of the Type NaxMNp6F30 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Al, Ga) von Deason, Travis K, Morrison, Gregory, Mofrad, Amir, Tisdale, Hunter B, Amoroso, Jake, DiPrete, David, Was, Gary, Sun, Kai, Besmann, Theodore M, Zur Loye, Hans-Conrad

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Development of the Molten Salt Thermal Properties Database − Thermochemical (MSTDB−TC), example applications, and LiCl−RbCl and UF3−UF4 system assessments von Ard, Johnathon C., Yingling, Jacob A., Johnson, Tristan J., Schorne-Pinto, Juliano, Aziziha, Mina, Dixon, Clara M., Christian, Matthew S., McMurray, Jacob W., Besmann, Theodore M.

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Developing Waste Forms for Transuranic Elements: Quaternary Neptunium Fluorides of the Type Na x MNp 6 F 30 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Al, Ga) von Deason, Travis K, Morrison, Gregory, Mofrad, Amir, Tisdale, Hunter B, Amoroso, Jake, DiPrete, David, Was, Gary, Sun, Kai, Besmann, Theodore M, Zur Loye, Hans-Conrad

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Effect of XC functionals and dispersion corrections on the DFT‐computed structural and vibrational properties of SrCl2–NaCl and ZrF4–LiF von Mofrad, Amir M., Christian, Matthew S., Schorne‐Pinto, Juliano, Palma, Jorge P. S., Besmann, Theodore M.

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Transient Covalency in Molten Uranium(III) Chloride von Maltsev, Dmitry S., Driscoll, Darren M., Zhang, Yuanpeng, Neuefeind, Joerg C., Reinhart, Benjamin, Agca, Can, Ray, Debmalya, Halstenberg, Phillip W., Aziziha, Mina, Schorne-Pinto, Juliano, Besmann, Theodore M., Bryantsev, Vyacheslav S., Dai, Sheng, Roy, Santanu, Ivanov, Alexander S.

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Size-Driven Stability of Lanthanide Thiophosphates Grown from an Iodide Flux von Klepov, Vladislav V, Breton, Logan S, Pace, Kristen A, Kocevski, Vancho, Besmann, Theodore M, zur Loye, Hans-Conrad

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Uranium nitride as LWR TRISO fuel: Thermodynamic modeling of U–C–N von Besmann, Theodore M., Shin, Dongwon, Lindemer, Terrence B.

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Nearly Identical but Not Isotypic: Influence of Lanthanide Contraction on Cs2NaLn(PS4)2 (Ln = La–Nd, Sm, and Gd–Ho) von Klepov, Vladislav V, Pace, Kristen A, Breton, Logan S, Kocevski, Vancho, Besmann, Theodore M, zur Loye, Hans-Conrad

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Flux Crystal Growth of the Extended Structure Pu(V) Borate Na2(PuO2)(BO3) von Deason, Travis K., Hines, Adrian T., Morrison, Gregory, Smith, Mark D., Besmann, Theodore M., Mofrad, Amir M., Fondeur, Fernando F., Lehman-Andino, Ingrid, Amoroso, Jake W., DiPrete, David P., zur Loye, Hans-Conrad

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Thermodynamic assessment of the hollandite high‐level radioactive waste form von Utlak, Stephen A., Besmann, Theodore M., Brinkman, Kyle S., Amoroso, Jake W.

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