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Chemistry Resolved Kinetic Flow Modeling of TATB Based Explosives (open access)

Chemistry Resolved Kinetic Flow Modeling of TATB Based Explosives

Detonation waves in insensitive, TATB based explosives are believed to have multi-time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. They use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. They term their model chemistry resolved kinetic flow as CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. A HE-validation suite of model simulations compared to experiments at ambient, hot, and cold temperatures has been developed. They present here a new rate model and comparison with experimental data.
Date: July 21, 2011
Creator: Vitello, P A; Fried, L E; Howard, W M; Levesque, G & Souers, P C
System: The UNT Digital Library
Epitaxial Fe{sub 3-x}Ti{sub x}O{sub 4} films from magnetite to ulvöspinel by pulsed laser deposition (open access)

Epitaxial Fe{sub 3-x}Ti{sub x}O{sub 4} films from magnetite to ulvöspinel by pulsed laser deposition

Epitaxial films along the Fe{sub 3-x}Ti{sub x}O{sub 4} (titanomagnetite) compositional series from pure end-members magnetite (Fe{sub 3}O{sub 4}) to ulvöspinel (Fe{sub 2}TiO{sub 4}) were successfully grown by pulsed laser deposition on MgO(100) substrates. Spectroscopic characterization including high resolution x-ray diffraction, x-ray photoelectron spectroscopy, and synchrotron-based x-ray absorption and magnetic circular dichroism consistently shows that Ti(IV) substitutes for Fe(III) in the inverse spinel lattice with a proportional increase in lattice Fe(II) concentration. No evidence of Ti interstitials, spinodal decomposition, or secondary phases was found in the bulk of the grown films. At the uppermost few nanometers of the Ti-bearing film surfaces, evidence suggests that Fe(II) is susceptible to facile oxidation, and that an associated lower Fe/Ti ratio in this region is consistent with surface compositional incompleteness or alteration to a titanomaghemite-like composition and structure. The surface of these films nonetheless appear to remain highly ordered and commensurate with the underlying structure despite facile oxidation, a surface condition that is found to be reversible to some extent by heating in low oxygen environments.
Date: July 21, 2011
Creator: Droubay, T. C.; Pearce, C. I.; Ilton, E. S.; Engelhard, M. H.; Jiang, W.; Heald, S. M. et al.
System: The UNT Digital Library
Optimization of nonlinear optical properties of ZnO micro and nanocrystals for biophotonics (open access)

Optimization of nonlinear optical properties of ZnO micro and nanocrystals for biophotonics

This article investigates the defects in ZnO created during its synthesis and its affect on the second and third-order nonlinear processes.
Date: July 21, 2011
Creator: Urban, Ben E.; Lin, Jie; Kumar, Os; Senthilkumar, Kasilingam; Fujita, Yasuhisa & Neogi, Arup
System: The UNT Digital Library
The r-process in Metal Poor Stars, and Black Hole Formation (open access)

The r-process in Metal Poor Stars, and Black Hole Formation

None
Date: July 21, 2011
Creator: Boyd, R. N.; Famiano, M. A.; Meyer, B. S.; Motizuki, Y.; Kajino, T. & Roederer, I. U.
System: The UNT Digital Library