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Thesis (Ph.D.); Submitted to Massachusetts Inst. of Tech., Cambridge, MA (US); 1 Sep 2003. / Published through the Information Bridge: DOE Scientific and Technical Information. "JLAB-PHY-03-167" "DOE/ER/40150-2745" Marat Rvachev. 09/01/2003. Report is also available in paper and microfiche from NTIS.

Physics / M. Sc. (Physics)

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No description available.

Engineering new solid propellant materials requires optimization of several factors, to include energy density, burn rate, sensitivity, and environmental impact. Equally important is the need for materials that will maintain their mechanical properties and thermal stability during long periods of storage. The nanoscale materials considered in this dissertation are proposed metal additives that may enhance energy density and improve combustion in a composite rocket motor. Density Functional Theory methods are used to determine cluster geometries, bond strengths, and energy densities. The ground-state geometries and electron affinities (EAs) for MnxO?: x = 3, 4, y = 1, 2 clusters were calculated with GGA, and estimates for the vertical detachment energies compare well with experimental results. It was found that the presence of oxygen influences the overall cluster moment and spin configuration, stabilizing ferrimagnetic and antiferromagnetic isomers. The calculated EAs range from 1.29-1.84 eV, which is considerably lower than the 3.0-5.0 eV EAs characteristic of current propellant oxidizers. Their use as solid propellant additives is limited. The structures and bonding of a range of Al-cyclopentadienyl cluster compounds were studied with multilayer quantum mechanics/molecular mechanics (QM:MM) methods. The organometallic Al-ligand bonds are generally 55-85 kcal/mol and are much stronger than Al-Al interactions. This suggests that thermal decomposition in these clusters will proceed via the loss of surface metal-ligand units. The energy density of the large clusters is calculated to be nearly 60% that of pure aluminum. These organometallic cluster systems may provide a route to extremely rapid Al combustion in solid rocket motors. Lastly, the properties of COOH-terminated passivating agents were modeled with the GPW method. It is confirmed that fluorinated polymers bind to both Al(111) and Al(100) at two Al surface sites. The oligomers HCOOH, CH3CH2COOH, and CF3CF2COOH chemisorb onto Al(111) with adsorption energies of 10-45 kcal/mol. The preferred contact angle for the organic chains is 65-85 degrees, and adsorption energy weakens slightly with increasing chain length. Despite their relatively weak adsorption energies, fluorinated polymers have elevated melting temperatures, making them good passivation materials for micron-scale Al fuel particles.

Doctoral Dissertation, Ph.D., University of California, Berkeley, Berkeley, California, USA. / Published through the Information Bridge: DOE Scientific and Technical Information. "LBNL--56749" Folden III, Charles Marvin. USDOE Director. Office of Science. Office of Nuclear Physics 11/04/2004. Report is also available in paper and microfiche from NTIS.

Made available in DSpace on 2016-06-02T20:27:38Z (GMT). No. of bitstreams: 1 3466.pdf: 565162 bytes, checksum: 770041f07c68eda588bd0c501dabe93d (MD5) Previous issue date: 2011-02-10 / Financiadora de Estudos e Projetos / In this work we analyze the existence of radially symmetric solutions, positive solutions as well as the existence of ground state solutions for a class of Klein-Gordon-Maxwell equations when the nonlinearity exhibits critical behavior. For the positive and ground state solutions we prove existence results when a potential V is introduced. In order to obtain such results, we use variational methods / Neste trabalho analisamos a existência de soluções radialmente simétricas, soluções positivas, bem como a existência de soluções ground state para uma classe de equações do tipo Klein-Gordon-Maxwell quando a não-linearidade exibe comportamento crítico. Para as soluções positivas e do tipo ground state provamos resultados de existência quando um potencial V é introduzido. A fim de obtermos tais resultados, usamos métodos variacionais.

No description available.

Thesis (Ph.D.); Submitted to the UNIVERSITY OF CALIFORNIA, BERKELEY, CA (US); 9 Dec 2004. / Published through the Information Bridge: DOE Scientific and Technical Information. "LBNL--56744" Guo, Fanqing. USDOE Director. Office of Science. Office of Nuclear Physics (US) 12/09/2004. Report is also available in paper and microfiche from NTIS.