Publications

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In this paper, weak formulations and finite element discretizations of the governing partial differential equations of three-dimensional nonlinear acoustics in absorbing fluids are presented. The fluid equations are considered in an Eulerian framework, rather than a displacement framework, since in the latter case the corresponding finite element formulations suffer from spurious modes and numerical instabilities. When taken with the governing partial differential equations of a solid body and the continuity conditions, a coupled formulation is derived. The change in solid/fluid interface conditions when going from a linear acoustic fluid to a nonlinear acoustic fluid is demonstrated. Finite element discretizations of the coupled problem are then derived, and verification examples are presented that demonstrate the correctness of the implementations. We demonstrate that the time step size necessary to resolve the wave decreases as steepening occurs. Finally, simulation results are presented on a resonating acoustic cavity, and a coupled elastic/acoustic system consisting of a fluid-filled spherical tank.

Calculations of specific contact resistance as a function of doping and barrier height were performed for p-type GaN. These calculations took into account two valence bands, each with different effective masses, and show that at low doping, the heavy hole band accounts for most of the conduction, whereas at heavier doping, the light hole band dominates conduction. These calculations also indicate the barrier height for typical contacts to p-GaN is between 0.75 eV and 1 eV. Specific contact resistance measurements were made for oxidized Ni/Au, Pd, and oxidized Ni/Pd ohmic contact metal schemes to p-GaN. The Ni/Pd contact had the lowest specific contact resistance, 6 x 10{sup -4} {Omega} cm{sup 2}. Auger sputter depth profile analysis showed some Ni diffused away from the GaN surface to the contact surface with the bulk of the Pd located in between two areas of Ni. Both Ni and Pd interdiffused with the GaN at the semiconductor surface. The majority of the oxygen observed was with the Ni as NiO. Angle-resolved-x-ray photoelectron spectroscopy (AR-XPS) analyses showed the formation of predominantly NiO and PdO species, with higher Ni and Pd oxides at the contact surface.

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We used molecular dynamics simulations to study the adsorption of aqueous uranyl species (UO22+) onto clay mineral surfaces in the presence of sodium counterions and carbonato ligands. The large system size (10 000 atoms) and long simulation times (10 ns) allowed us to investigate the thermodynamics of ion adsorption, and the atomistic detail provided clues for the observed adsorption behavior. The model system consisted of the basal surface of a low-charge Na-montmorillonite clay in contact with aqueous uranyl carbonate solutions with concentrations of 0.027 M, 0.081 M, and 0.162 M. Periodic boundary conditions were used in the simulations to better represent an aqueous solution interacting with an external clay surface. Uranyl adsorption tendency was found to decrease as the aqueous uranyl carbonate concentration was increased, while sodium adsorption remained constant. The observed behavior is explained by physical and chemical effects. As the ionic strength of the aqueous solution was increased, electrostatic factors prevented further uranyl adsorption once the surface charge had been neutralized. Additionally, the formation of aqueous uranyl carbonate complexes, including uranyl carbonato oligomers, contributed to the decreased uranyl adsorption tendency.

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We have used scanning tunneling microscopy and low-energy electron microscopy to measure the thermal decay of two-dimensional Cu, Pb-overlayer, and Pb-Cu alloy islands on Pb-Cu(1 1 1) surface alloys. Decay rates covering 6-7 orders of magnitude are accessible by applying the two techniques to the same system. We find that Cu adatom diffusion across the surface alloy is rate-limiting for the decay of both Pb and Pb-Cu islands on the surface alloy and that this rate decreases monotonically with increasing Pb concentration in the alloy. The decrease is attributed to repulsive interactions between Cu adatoms and embedded Pb atoms in the surface alloy. The measured temperature dependences of island decay rates are consistent with first-principles calculations of the Cu binding and diffusion energies related to this 'site-blocking' effect.

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