Publications

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We have compared simulations using solutions of Poisson's equation to detailed capacitance measurements on a double quantum dot structure. We tabulate the results and show which cases show good agreement and which do not. The capacitance values are also compared to those calculated by a solution of Laplace's equation. Electron density is plotted and discussed. In order to understand relevant potential barriers we compare simulations at 50 Kelvin to simulations at 15 Kelvin. We show that the charge density does not differ greatly, but that the conduction band potential does. However, a method of estimating the potential at 0 Kelvin based on the charge distribution at 50 Kelvin is shown to be close to the potential at 15 Kelvin. This method was used to estimate potential barriers at 0 Kelvin in two quantum dot structures.

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The objectives of this presentation are: (1) Learn how to partition a problem using Zoltan; (2) Understand the following (a) Basic process of partitioning with Zoltan, (b) Setting Zoltan parameters, (c) Registering query functions, (d) Writing query functions, (e) Zoltan-LB-Partition and its input/output; and (3) Be able to integrate Zoltan into your own applications.

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The market for polyamide desalination membranes is expected to continue to grow during the coming decades. Purification of alternative water sources will also be necessary to meet growing water demands. Purification of produced water, a byproduct of oil and gas production, is of interest due to its dual potential to provide water for beneficial use as well as to reduce wastewater disposal costs. However, current polyamide membranes are prone to fouling, which decreases water flux and shortens membrane lifetime. This research explored surface modification using poly(ethylene glycol) diglycidyl ether (PEGDE) to improve the fouling resistance of commercial polyamide membranes. Characterization of commercial polyamide membrane performance was a necessary first step before undertaking surface modification studies. Membrane performance was found to be sensitive to crossflow testing conditions. Concentration polarization and feed pH strongly influenced NaCl rejection, and the use of continuous feed filtration led to higher water flux and lower NaCl rejection than was observed for similar tests performed using unfiltered feed. Two commercial polyamide membranes, including one reverse osmosis and one nanofiltration membrane, were modified by grafting PEGDE to their surfaces. Two different PEG molecular weights (200 and 1000) and treatment concentrations (1% (w/w) and 15% (w/w)) were studied. Water flux decreased and NaCl rejection increased with PEGDE graft density ({micro}g/cm{sup 2}), although the largest changes were observed for low PEGDE graft densities. Surface properties including hydrophilicity, roughness and charge were minimally affected by surface modification. The fouling resistance of modified and unmodified membranes was compared in crossflow filtration studies using model foulant solutions consisting of either a charged surfactant or an oil in water emulsion containing n-decane and a charged surfactant. Several PEGDE-modified membranes demonstrated improved fouling resistance compared to unmodified membranes of similar initial water flux, possibly due to steric hindrance imparted by the PEG chains. Fouling resistance was higher for membranes modified with higher molecular weight PEG. Fouling was more extensive for feeds containing the cationic surfactant, potentially due to electrostatic attraction with the negatively charged membranes. However, fouling was also observed in the presence of the anionic surfactant, indicating hydrodynamic forces are also responsible for fouling.

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We report low-temperature transport measurements of a silicon metal-oxide-semiconductor (MOS) double quantum dot (DQD). In contrast to previously reported measurements of DQD's in Si MOS structures, our device has a lateral gate geometry very similar to that used by Petta et al. to demonstrate coherent manipulation of single electron spins. This gate design provides a high degree of tunability, allowing for independent control over individual dot occupation and tunnel barriers, as well as the ability to use nearby constrictions to sense dot charge occupation. Comparison of experimentally extracted capacitances between the dot and nearby gates with electrostatic modeling demonstrates the presence of disorder and the ability to partially compensate for this disorder by adjustment of gate voltages. We experimentally show gate-controlled tuning of the interdot coupling over a wide range of energies, an important step towards potential quantum computing applications.

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We fabricated a split-gate defined point contact in a double gate enhancement mode Si-MOS device, and implanted Sb donor atoms using a self-aligned process. E-beam lithography in combination with a timed implant gives us excellent control over the placement of dopant atoms, and acts as a stepping stone to focused ion beam implantation of single donors. Our approach allows us considerable latitude in experimental design in-situ. We have identified two resonance conditions in the point contact conductance as a function of split gate voltage. Using tunneling spectroscopy, we probed their electronic structure as a function of temperature and magnetic field. We also determine the capacitive coupling between the resonant feature and several gates. Comparison between experimental values and extensive quasi-classical simulations constrain the location and energy of the resonant level. We discuss our results and how they may apply to resonant tunneling through a single donor.

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The cubed sphere geometry, obtained by inscribing a cube in a sphere and mapping points between the two surfaces using a gnomonic (central) projection, is commonly used in atmospheric models because it is free of polar singularities and is well-suited for parallel computing. Global meshes on the cubed-sphere typically project uniform (square) grids from each face of the cube onto the sphere, and if refinement is desired then it is done with non-conforming meshes - overlaying the area of interest with a finer uniform mesh, which introduces so-called hanging nodes on edges along the boundary of the fine resolution area. An alternate technique is to tile each face of the cube with quadrilaterals without requiring the quads to be rectangular. These meshes allow for refinement in areas of interest with a conforming mesh, providing a smoother transition between high and low resolution portions of the grid than non-conforming refinement. The conforming meshes are demonstrated in HOMME, NCAR's High Order Method Modeling Environment, where two modifications have been made: the dependence on uniform meshes has been removed, and the ability to read arbitrary quadrilateral meshes from a previously-generated file has been added. Numerical results come from a conservative spectral element method modeling a selection of the standard shallow water test cases.

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Periodic, coordinated, checkpointing to disk is the most prevalent fault tolerance method used in modern large-scale, capability class, high-performance computing (HPC) systems. Previous work has shown that as the system grows in size, the inherent synchronization of coordinated checkpoint/restart (CR) limits application scalability; at large node counts the application spends most of its time checkpointing instead of executing useful work. Furthermore, a single component failure forces an application restart from the last correct checkpoint. Suggested alternatives to coordinated CR include uncoordinated CR with message logging, redundant computation, and RAID-inspired, in-memory distributed checkpointing schemes. Each of these alternatives have differing overheads that are dependent on both the scale and communication characteristics of the application. In this work, using the Structural Simulation Toolkit (SST) simulator, we compare the performance characteristics of each of these resilience methods for a number of HPC application patterns on a number of proposed exascale machines. The result of this work provides valuable guidance on the most efficient resilience methods for exascale systems.

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The search is on for new renewable energy and algal-derived biofuel is a critical piece in the multi-faceted renewable energy puzzle. It has 30x more oil than any terrestrial oilseed crop, ideal composition for biodiesel, no competition with food crops, can be grown in waste water, and is cleaner than petroleum based fuels. This project discusses these three goals: (1) Conduct fundamental research into the effects that dynamic biotic and abiotic stressors have on algal growth and lipid production - Genomics/Transcriptomics, Bioanalytical spectroscopy/Chemical imaging; (2) Discover spectral signatures for algal health at the benchtop and greenhouse scale - Remote sensing, Bioanalytical spectroscopy; and (3) Develop computational model for algal growth and productivity at the raceway scale - Computational modeling.

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Sandia National Laboratories has developed an inverse radiation transport solver that applies nonlinear regression to coupled neutron-photon deterministic transport models. The inverse solver uses nonlinear regression to fit a radiation transport model to gamma spectrometry and neutron multiplicity counting measurements. The subject of this paper is the experimental validation of that solver. This paper describes a series of experiments conducted with a 4.5 kg sphere of {alpha}-phase, weapons-grade plutonium. The source was measured bare and reflected by high-density polyethylene (HDPE) spherical shells with total thicknesses between 1.27 and 15.24 cm. Neutron and photon emissions from the source were measured using three instruments: a gross neutron counter, a portable neutron multiplicity counter, and a high-resolution gamma spectrometer. These measurements were used as input to the inverse radiation transport solver to evaluate the solver's ability to correctly infer the configuration of the source from its measured radiation signatures.

This year completed our 5th cycle of Hoshin Kanri. It has provided a way to summarize our annual strategic planning outcome in a simple format,and a great means to communicate it to employees. It has increased everyone's understanding of the Center's vision and true north. Every employee understands how their work contributes to the Center's success. It has increased focus and alignment in the organization and has increased ESat results with regards to improved alighment. It has tripled the number of shipments and increased productivity by 175% in 7 years.

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An infrared laser absorption technique has been developed to measure in-cylinder concentrations of CO in an optical, automotive HCCI engine. The diagnostic employs a distributed-feedback, tunable diode laser selected to emit light at the R15 line of the first overtone of CO near 2.3 {micro}m. The collimated laser beam makes multiple passes through the cylinder to increase its path length and its sampling volume. High-frequency modulation of the laser output (wavelength modulation spectroscopy) further enhances the signal-to-noise ratio and detection limits of CO. The diagnostic has been tested in the motored and fired engine, exhibiting better than 200-ppm sensitivity for 50-cycle ensemble-average values of CO concentration with 1-ms time resolution. Fired results demonstrate the ability of the diagnostic to quantify CO production during negative valve overlap (NVO) for a range of fueling conditions.

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The Department of Energy's Office of Electricity has initiated a $60M program to assist the electric industry in interconnection-level analysis and planning. The objective of this effort is to facilitate the development or strengthening of capabilities in each of the three interconnections serving the lower 48 states of the United States, to prepare analyses of transmission requirements under a broad range of alternative futures and develop long-term interconnection-wide transmission expansion plans. The interconnections are the Western Interconnection, the Eastern Interconnection, and the Texas Interconnection. One element of this program address the support and development of an integrated energy-water Decision Support System (DSS) that will enable planners in the Western and Texas Interconnections to analyze the potential implications of water stress for transmission and resource planning (the Eastern Interconnection is not participating in this element). Specific objectives include: (1) Develop an integrated Energy-Water Decision Support System (DSS) that will enable planners in the Western and Texas Interconnections to analyze the potential implications of water stress for transmission and resource planning. (2) Pursue the formulation and development of the Energy-Water DSS through a strongly collaborative process between members of this proposal team and the Western Electricity Coordinating Council (WECC), Western Governors Association (WGA), the Electric Reliability Council of Texas (ERCOT) and their associated stakeholder teams. (3) Exercise the Energy-Water DSS to investigate water stress implications of the transmission planning scenarios put forward by WECC, WGA, and ERCOT. The goals of this project are: (1) Develop an integrated Energy-Water Decision Support System (DSS) that will enable planners to analyze the potential implications of water stress for transmission and resource planning. (2) Pursue the formulation and development of the Energy-Water DSS through a strongly collaborative process between Western Electricity Coordinating Council, Electric Reliability Council of Texas, Western Governors Association, and Western States Water Council. (3) Exercise the Energy-Water DSS to investigate water transmission planning scenarios.

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THz quantum cascade lasers are of interest for use as solid-state local-oscillators in THz heterodyne receiver systems, especially for frequencies exceeding 2 THz and for use with non-cryogenic mixers which require mW power levels. Among other criteria, to be a good local oscillator, the laser must have a narrow linewidth and excellent frequency stability. Recent phase locking measurements of THz QCLs to high harmonics of microwave frequency reference sources as high as 2.7 THz demonstrate that the linewidth and frequency stability of QCLs can be more than adequate. Most reported THz receivers employing QCLs have used discrete source and detector components coupled via mechanically aligned free-space quasioptics. Unfortunately, retroreflections of the laser off of the detecting element can lead to deleterious feedback effects. Using a monolithically integrated transceiver with a Schottky diode monolithically integrated into a THz QCL, we have begun to explore the sensitivity of the laser performance to feedback due to retroreflections of the THz laser radiation. The transceiver allows us to monitor the beat frequency between internal Fabry-Perot modes of the QCL or between a QCL mode and external radiation incident on the transceiver. When some of the power from a free running Fabry-Perot type QCL is retroreflected with quasi-static optics we observe frequency pulling, mode splitting and chaos. Given the lack of calibrated frequency sources with sufficient stability and power to phase lock a QCL above a couple THz, attempts have been made to lock the absolute laser frequency by locking the beat frequency of a multimoded laser. We have phase locked the beat frequency between Fabry-Perot modes to an {approx}13 GHz microwave reference source with a linewidth less than 1 Hz, but did not see any improvment in stability of the absolute frequency of the laser. In this case, when some laser power is retroreflected back into the laser, the absolute frequency can be pulled significantly as a function of the external path length.

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External pressure was used to engineer nanoparticle assembly. Reversible manipulation of the unit-cell dimensions of a 3D ordered nanoparticle array under a hydrostatic pressure field enabled the fine-tuning of the interparticle distance. Under a uniaxial pressure field, nanoparticles were forced to contact and coalesce into nanorods or nanowires and ordered ultrahigh-density arrays (see picture; small arrows denote pressure).

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A reliability and availability model has been developed for a portion of the 4.6 megawatt (MWdc) photovoltaic system operated by Tucson Electric Power (TEP) at Springerville, Arizona using a commercially available software tool, GoldSim{trademark}. This reliability model has been populated with life distributions and repair distributions derived from data accumulated during five years of operation of this system. This reliability and availability model was incorporated into another model that simulated daily and seasonal solar irradiance and photovoltaic module performance. The resulting combined model allows prediction of kilowatt hour (kWh) energy output of the system based on availability of components of the system, solar irradiance, and module and inverter performance. This model was then used to study the sensitivity of energy output as a function of photovoltaic (PV) module degradation at different rates and the effect of location (solar irradiance). Plots of cumulative energy output versus time for a 30 year period are provided for each of these cases.

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