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Electronic Structure of Lithium Battery Materials

Description: Lithium batteries are important as the power source for portable electronic devices and could also be used in hybrid vehicles with improvements in capacity. We have used first principles calculations of electronic structure to determine how charge is redistributed as Li is added or removed. In the final of year of the project we have examined Lix(NiMn)0.5O2 and Lix(NiMnCo)0.333O2 cathode materials in more detail. As lithium is removed electrons are removed from the valence band which is mainly … more
Date: December 2, 2007
Creator: Rez, Peter
Partner: UNT Libraries Government Documents Department
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University of Arizona High Energy Physics Program: Final Report

Description: The High Energy Physics Group at the University of Arizona has conducted forefront research in elementary particle physics. Our theorists have developed new ideas in lattice QCD, SUSY phenomenology, string theory phenomenology, extra spatial dimensions, dark matter, and neutrino astrophysics. The experimentalists produced significant physics results on the ATLAS experiment at CERN's Large Hadron Collider and on the D0 experiment at the Fermilab Tevatron. In addition, the experimentalists were l… more
Date: July 29, 2013
Creator: Rutherfoord, John P.; Johns, Kenneth A.; Shupe, Michael A.; Cheu, Elliott C.; Varnes, Erich W.; Dienes, Keith et al.
Partner: UNT Libraries Government Documents Department
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Dynamical Spin Susceptibility in the TD-LDA and QSGW Approximations

Description: Abstract. This project was aimed at building the transverse dynamical spin susceptibility with the TD-LDA and the recently-developed Quasparticle Self-Consisent Approximations, which determines an optimum quasiparticle picture in a self-consistent manner within the GW approximation. Our main results were published into two papers, (J. Phys. Cond. Matt. 20, 95214 (2008), and Phys. Rev. B83, 060404(R) (2011). In the first paper we present spin wave dispersions for MnO, NiO, and #11;-MnAs based on… more
Date: October 15, 2012
Creator: van Schilfgaarde, Mark & Kotani, Takao
Partner: UNT Libraries Government Documents Department
open access

Multiscale Simulation of Thermo-Mechanical Processes in Irradiated Fission-Reactor Materials

Description: This research characterized, by atomic level molecular dynamics (MD) simulations, the early stage aggregation of the fission product xenon in a model uranium oxide nuclear fuel matrix that contributes to the long term bubble formation mechanisms that compromise the efficiency and lifetime of nuclear fuels. These atomic level computer simulations disclosed a previously unknown pre-coarsening phenomenon in which the clustering of xenon is driven by vacancy diffusion. These key findings are to be … more
Date: November 1, 2010
Creator: Corrales, Louis Rene
Partner: UNT Libraries Government Documents Department
open access

Dissection of Molecular Mechanisms Regulating Protein Body Formation in Maize Endosperm - DE-FG03-95-ER20183 B139

Description: Dissection of Molecular Mechanisms Regulating Protein Body Formation in Maize Endosperm - DE-FG03-95-ER20183 Final Technical Report and Patent Summary Dr. Brian A. Larkins, Department of Plant Sciences, University of Arizona, Tucson, AZ 85721 Endosperm texture is an important quality trait in maize, as it influences the shipping characteristics of the grain, its susceptibility to insects, the yield of grits from dry milling, energy costs during wet milling, and the baking and digestibility prop… more
Date: March 21, 2003
Creator: Larkins, Brian A.
Partner: UNT Libraries Government Documents Department
open access

Calcium-Mediated Regulation of Proton-Coupled Sodium Transport - Final Report

Description: The long-term goal of our experiments was to understand mechanisms that regulate energy coupling by ion currents in plants. Activities of living organisms require chemical, mechanical, osmotic or electrical work, the energy for which is supplied by metabolism. Adenosine triphosphate (ATP) has long been recognized as the universal energy currency, with metabolism supporting the synthesis of ATP and the hydrolysis of ATP being used for the subsequent work. However, ATP is not the only energy curr… more
Date: October 24, 2013
Creator: Schumaker, Karen S
Partner: UNT Libraries Government Documents Department
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