Search Results - "Abrecht, David G"

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    Thermodynamic modeling to facilitate safe handling of CsCl sealed sources by Weber, Charles F., Abrecht, David G.

    “…Sealed radiation sources containing CsCl have a chemical instability created by decay of 137 Cs to 137 Ba that creates a strong reducing environment inside the…”
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    Journal Article
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    Linear Free Energy Correlations for Fission Product Release from the Fukushima-Daiichi Nuclear Accident by Abrecht, David G, Schwantes, Jon M

    Published in Environmental science & technology (03-03-2015)
    “…This paper extends the preliminary linear free energy correlations for radionuclide release performed by Schwantes et al., following the Fukushima-Daiichi…”
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    Surface and pore structure modification of cellulose fibers through cellulase treatment by Park, Sunkyu, Venditti, Richard A., Abrecht, David G., Jameel, Hasan, Pawlak, Joel J., Lee, Jung M.

    Published in Journal of applied polymer science (15-03-2007)
    “…The surface and pore structure of cellulose fibers have a significant impact on the properties and performance in applications. Cellulase enzymatic hydrolysis…”
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    A comparison of carbon impurities in pre- and post-melt uranium Part 1: Scanning electron microscopy analysis by Olszta, Matthew J., Corbey, Jordan F., Athon, Matthew T., Huber, Zachary F., Reilly, Dallas D., Abrecht, David G.

    Published in Journal of alloys and compounds (05-12-2022)
    “…Although C impurities in U have been studied for decades, fundamental questions regarding their incorporation, migration, and transformations during metal…”
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    Direct observations of Pd–Te compound formation within noble metal inclusions in spent nuclear fuel by Kessler, Sean H., Lach, Timothy G., Garrett, Kerry E., Conroy, Michele A., Abrecht, David G., Schwantes, Jon M., Clark, Richard A.

    Published in Journal of nuclear materials (01-09-2020)
    “…Although the existence of a five-metal (Mo-Tc-Ru-Rh-Pd) phase – as nanoparticles observed in irradiated nuclear fuel – has been known for more than half a…”
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    Evaluation of the Thermodynamic Properties of H2 Binding in Solid State Dihydrogen Complexes [M(η2‑H2)(CO)dppe2][BArF24] (M = Mn, Tc, Re): An Experimental and First Principles Study by Abrecht, David G, Fultz, Brent

    Published in Journal of physical chemistry. C (25-10-2012)
    “…The solid state complex [Mn(CO)dppe2][BArF24] was synthesized, and the thermodynamic behavior and properties of the hydrogen absorption reaction to form the…”
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    Electron Ionization Mass Spectrum of Tellurium Hexafluoride by Clark, Richard A, McNamara, Bruce K, Barinaga, Charles J, Peterson, James M, Govind, Niranjan, Andersen, Amity, Abrecht, David G, Schwantes, Jon M, Ballou, Nathan E

    Published in Inorganic chemistry (18-05-2015)
    “…The electron ionization mass spectrum of tellurium hexafluoride (TeF6) is reported for the first time. The starting material was produced by direct…”
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    Spin-State Effects on the Thermal Dihydrogen Release from Solid-State [MH(η2‑H 2)dppe2]+ (M = Fe, Ru, Os) Organometallic Complexes for Hydrogen Storage Applications by Abrecht, David G, Muñoz, Jorge A, Smith, Hillary L, Fultz, Brent

    Published in Journal of physical chemistry. C (30-01-2014)
    “…Mössbauer spectroscopy, experimental thermodynamic measurements, and computational studies were performed to investigate the properties of molecular hydrogen…”
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    Spherical Gaussians: An intuitive method for creating complex anisotropies in interface energies for the phase field method by Bair, Jacob L., Deshmukh, Nikhil S., Abrecht, David G.

    Published in Computational materials science (15-02-2021)
    “…The Phase Field Method requires continuous functions to control interface energies between phases. We have developed a method for phase field modeling where…”
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    Computational studies of impurity migration during induction stirring of molten uranium by Singh, Rajesh K., Corbey, Jordan F., Deshmukh, Nikhil S., Howard, Amanda A., Frazier, William E., Hu, Shenyang, Abrecht, David G.

    Published in Computational materials science (05-10-2023)
    “…[Display omitted] •Migration of microparticle impurities in the uranium melt inside an induction furnace.•Homogeneous distribution of smaller carbide…”
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    Ab initio modeling and thermodynamics of hydrated plutonium oxalates by LaCount, Michael D., Meier, David E., Ritzmann, Andrew M., Muller, Scott E., Clark, Richard A., Buck, Edgar C., Abrecht, David G.

    Published in Journal of nuclear materials (01-09-2023)
    “…An ab initio study on the plutonium oxalate hydrates: Pu2(C2O4)3⋅10H2O and Pu(C2O4)2⋅6H2O, using PBE exchange-correlation with D3 dispersion correction and…”
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    Evaluation of the Thermodynamic Properties of H(2) Binding in Solid State Dihydrogen Complexes [M(η(2)-H(2))(CO)dppe(2)][BArF(24)] (M = Mn, Tc, Re): an Experimental and First Principles Study by Abrecht, David G, Fultz, Brent

    Published in Journal of physical chemistry. C (25-10-2012)
    “…The solid state complex [Mn(CO)dppe(2)][BArF(24)] was synthesized and the thermodynamic behavior and properties of the hydrogen absorption reaction to form the…”
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    Journal Article
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    First principles investigation of the structural and bonding properties of hydrated actinide (IV) oxalates, An(C2O4)2·6H2O (An = U, Pu) by Garrett, Kerry E., Ritzmann, Andrew M., Smith, Frances N., Kessler, Sean H., Devanathan, Ram, Henson, Neil J., Abrecht, David G.

    Published in Computational materials science (01-10-2018)
    “…[Display omitted] •This is the first DFT study performed on actinide oxalates.•Structural optimization results in bonding between the actinides and water.•The…”
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    Vibrational contributions to phase stability in the Mo-Ru system by Kessler, Sean H., Abrecht, David G., Clark, Richard A., Schwantes, Jon M.

    Published in Journal of alloys and compounds (25-12-2016)
    “…Density functional theory using the Perdew-Burke-Ernzerhof functional and the small displacement method was used to calculate the quasiharmonic phonon density…”
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