A molecular-scale interpretation of interfacial processes is often downplayed in the analysis of traditional water treatment methods. However, such an approach is critical for the development of enhanced performance in traditional desalination and water treatments. Water confined between surfaces, within channels, or in pores is ubiquitous in technology and nature. Its physical and chemical properties in such environments are unpredictably different from bulk water. As a result, advances in water desalination and purification methods may be accomplished through an improved analysis of water behavior in these challenging environments using state-of-the-art microscopy, spectroscopy, experimental, and computational methods.
This work provides a comprehensive uncertainty technique to evaluate uncertainty, resulting in a more realistic evaluation of PI, thereby requiring fewer resources to address scenarios and allowing resources to be used across more scenarios. For a given set of dversary resources, two types of uncertainty are associated with PI for a scenario: (1) aleatory (random) uncertainty for detection probabilities and time delays and (2) epistemic (state of knowledge) uncertainty for the adversary resources applied during an attack. Adversary esources consist of attributes (such as equipment and training) and knowledge about the security system; to date, most evaluations have assumed an adversary with very high resources, adding to the conservatism in the evaluation of PI. The aleatory uncertainty in PI is ddressed by assigning probability distributions to detection probabilities and time delays. A numerical sampling technique is used to evaluate PI, addressing the repeated variable dependence in the equation for PI.
The assembly of the BDYE detector requires the attachment of sixteen silicon (Si) processor dice (eight on the top side; eight on the bottom side) onto a low-temperature, co-fired ceramic (LTCC) substrate using 63Sn-37Pb (wt.%, Sn-Pb) in a double-reflow soldering process (nitrogen). There are 132 solder joints per die. The bond pads were gold-platinum-palladium (71Au-26Pt-3Pd, wt.%) thick film layers fired onto the LTCC in a post-process sequence. The pull strength and failure modes provided the quality metrics for the Sn-Pb solder joints. Pull strengths were measured in both the as-fabricated condition and after exposure to thermal cycling (-55/125 C; 15 min hold times; 20 cycles). Extremely low pull strengths--referred to as the low pull strength phenomenon--were observed intermittently throughout the product build, resulting in added program costs, schedule delays, and a long-term reliability concern for the detector. There was no statistically significant correlation between the low pull strength phenomenon and (1) the LTCC 'sub-floor' lot; (2) grit blasting the LTCC surfaces prior to the post-process steps; (3) the post-process parameters; (4) the conductor pad height (thickness); (5) the dice soldering assembly sequence; or (5) the dice pull test sequence. Formation of an intermetallic compound (IMC)/LTCC interface caused by thick film consumption during either the soldering process or by solid-state IMC formation was not directly responsible for the low-strength phenomenon. Metallographic cross sections of solder joints from dice that exhibited the low pull strength behavior, revealed the presence of a reaction layer resulting from an interaction between Sn from the molten Sn-Pb and the glassy phase at the TKN/LTCC interface. The thick film porosity did not contribute, explicitly, to the occurrence of reaction layer. Rather, the process of printing the very thin conductor pads was too sensitive to minor thixotropic changes to ink, which resulted in inconsistent proportions of metal and glassy phase particles present during the subsequent firing process. The consequences were subtle, intermittent changes to the thick film microstructure that gave rise to the reaction layer and, thus, the low pull strength phenomenon. A mitigation strategy would be the use of physical vapor deposition (PVD) techniques to create thin film bond pads; this is multi-chip module, deposited (MCM-D) technology.
The goal of this study is to model the electrical response of gold plated copper electrical contacts exposed to a mixed flowing gas stream consisting of air containing 10 ppb H{sub 2}S at 30 C and a relative humidity of 70%. This environment accelerates the attack normally observed in a light industrial environment (essentially a simplified version of the Battelle Class 2 environment). Corrosion rates were quantified by measuring the corrosion site density, size distribution, and the macroscopic electrical resistance of the aged surface as a function of exposure time. A pore corrosion numerical model was used to predict both the growth of copper sulfide corrosion product which blooms through defects in the gold layer and the resulting electrical contact resistance of the aged surface. Assumptions about the distribution of defects in the noble metal plating and the mechanism for how corrosion blooms affect electrical contact resistance were needed to complete the numerical model. Comparisons are made to the experimentally observed number density of corrosion sites, the size distribution of corrosion product blooms, and the cumulative probability distribution of the electrical contact resistance. Experimentally, the bloom site density increases as a function of time, whereas the bloom size distribution remains relatively independent of time. These two effects are included in the numerical model by adding a corrosion initiation probability proportional to the surface area along with a probability for bloom-growth extinction proportional to the corrosion product bloom volume. The cumulative probability distribution of electrical resistance becomes skewed as exposure time increases. While the electrical contact resistance increases as a function of time for a fraction of the bloom population, the median value remains relatively unchanged. In order to model this behavior, the resistance calculated for large blooms has been weighted more heavily.
This report documents technical work performed to complete the ASC Level 2 Milestone 2841: validation of thermal models for a prototypical MEMS thermal actuator. This effort requires completion of the following task: the comparison between calculated and measured temperature profiles of a heated stationary microbeam in air. Such heated microbeams are prototypical structures in virtually all electrically driven microscale thermal actuators. This task is divided into four major subtasks. (1) Perform validation experiments on prototypical heated stationary microbeams in which material properties such as thermal conductivity and electrical resistivity are measured if not known and temperature profiles along the beams are measured as a function of electrical power and gas pressure. (2) Develop a noncontinuum gas-phase heat-transfer model for typical MEMS situations including effects such as temperature discontinuities at gas-solid interfaces across which heat is flowing, and incorporate this model into the ASC FEM heat-conduction code Calore to enable it to simulate these effects with good accuracy. (3) Develop a noncontinuum solid-phase heat transfer model for typical MEMS situations including an effective thermal conductivity that depends on device geometry and grain size, and incorporate this model into the FEM heat-conduction code Calore to enable it to simulate these effects with good accuracy. (4) Perform combined gas-solid heat-transfer simulations using Calore with these models for the experimentally investigated devices, and compare simulation and experimental temperature profiles to assess model accuracy. These subtasks have been completed successfully, thereby completing the milestone task. Model and experimental temperature profiles are found to be in reasonable agreement for all cases examined. Modest systematic differences appear to be related to uncertainties in the geometric dimensions of the test structures and in the thermal conductivity of the polycrystalline silicon test structures, as well as uncontrolled nonuniform changes in this quantity over time and during operation.
This report documents the implementation results of a hardware demonstration utilizing the Serial RapidIO{trademark} and SpaceWire protocols that was funded by Sandia National Laboratories (SNL's) Laboratory Directed Research and Development (LDRD) office. This demonstration was one of the activities in the Modeling and Design of High-Speed Networks for Satellite Applications LDRD. This effort has demonstrated the transport of application layer packets across both RapidIO and SpaceWire networks to a common downlink destination using small topologies comprised of commercial-off-the-shelf and custom devices. The RapidFET and NEX-SRIO debug and verification tools were instrumental in the successful implementation of the RapidIO hardware demonstration. The SpaceWire hardware demonstration successfully demonstrated the transfer and routing of application data packets between multiple nodes and also was able reprogram remote nodes using configuration bitfiles transmitted over the network, a key feature proposed in node-based architectures (NBAs). Although a much larger network (at least 18 to 27 nodes) would be required to fully verify the design for use in a real-world application, this demonstration has shown that both RapidIO and SpaceWire are capable of routing application packets across a network to a common downlink node, illustrating their potential use in real-world NBAs.
This document summarizes research and planning for the development of a numerical simulation capability for nonisothermal multiphase, multicomponent transport in heterogeneous deformable porous materials. Particular attention is given to describing a mathematical formulation for flow in deformable media and for numerical techniques for dealing with phase transitions. A development plan is formulated to provide a computational capability motivated by current and future needs in geosystems management for energy security.
LDRD Project 122359 was a nine-month, late-start effort that pursued initial experiments studying the fundamental electrodynamic response properties of various nanomaterials from millimeter-wave (above roughly 30 GHz) up to submillimeter-wave (above roughly 0.1 THz) frequencies. The nine months of this project's duration produced two main empirical findings. First, Fourier transform reflectance spectroscopy on SrTiO{sub 3} nanocrystals from 0.2 to 10 THz frequency showed signatures of two optical phonons that correspond to known optical modes in bulk crystal SrTiO{sub 3}. However, quantitative differences between the nanoparticle and bulk spectra suggest that one or both of these phonons may shift frequency and weaken in nanoparticles relative to bulk crystal. Second, heavily doped n-type GaAs nanowires were synthesized for the purpose of creating high frequency diodes to study non-linear frequency conversion properties of compound semiconductor nanowires. It was found that incorporation of a heavy concentration of dopants interferes with the growth of these nanowires. While DC measurements showed reasonable diode-like current-voltage properties, the current state-of-the-art material properties of these nanowires are still unsuitable for millimeter-wave testing and applications.
An experiment was conducted comparing the effectiveness of individual versus group electronic brainstorming in order to address difficult, real world challenges. While industrial reliance on electronic communications has become ubiquitous, empirical and theoretical understanding of the bounds of its effectiveness have been limited. Previous research using short-term, laboratory experiments have engaged small groups of students in answering questions irrelevant to an industrial setting. The present experiment extends current findings beyond the laboratory to larger groups of real-world employees addressing organization-relevant challenges over the course of four days. Employees and contractors at a national security laboratory participated, either in a group setting or individually, in an electronic brainstorm to pose solutions to a 'wickedly' difficult problem. The data demonstrate that (for this design) individuals perform at least as well as groups in producing quantity of electronic ideas, regardless of brainstorming duration. However, when judged with respect to quality along three dimensions (originality, feasibility, and effectiveness), the individuals significantly (p<0.05) out-performed the group working together. When idea quality is used as the benchmark of success, these data indicate that work-relevant challenges are better solved by aggregating electronic individual responses, rather than electronically convening a group. This research suggests that industrial reliance upon electronic problem solving groups should be tempered, and large nominal groups might be the more appropriate vehicle for solving wicked corporate issues.
The reprocessing and recycling of spent nuclear fuel can benefit the nuclear fuel cycle by destroying actinides or extending fissionable resources if uranium supplies become limited. The purpose of this study was to assess reprocessing and recycling in both fast and thermal reactors to determine the effectiveness for actinide destruction and resource utilization. Fast reactor recycling will reduce both the mass and heat load of actinides by a factor of 2, but only after 3 recycles and many decades. Thermal reactor recycling is similarly effective for reducing actinide mass, but the heat load will increase by a factor of 2. Economically recoverable reserves of uranium are estimated to sustain the current global fleet for the next 100 years, and undiscovered reserves and lower quality ores are estimated to contain twice the amount of economically recoverable reserves—which delays the concern of resource utilization for many decades. Economic analysis reveals that reprocessed plutonium will become competitive only when uranium prices rise to about $\$$360 per kg. Alternative uranium sources are estimated to be competitive well below that price. Decisions regarding the development of a near term commercial-scale reprocessing fuel cycle must partially take into account the effectiveness of reactors for actnides destruction and the time scale for when uranium supplies may become limited. Long-term research and development is recommended in order to make more dramatic improvements in actinide destruction and cost reductions for advanced fuel cycle technologies. The original scope of this work was to optimize an advanced fuel cycle using a tool that couples a reprocessing plant simulation model with a depletion analysis code. Due to funding and time constraints of the late start LDRD process and a lack of support for follow-on work, the project focused instead on a comparison of different reprocessing and recycling options. This optimization study led to new insight into the fuel cycle.
Solar energy conversion is increasingly being recognized as one of the principal ways to meet future energy needs without causing detrimental environmental impact. Hybrid organic-inorganic solar cells (SCs) are attracting particular interest due to the potential for low cost manufacturing and for use in new applications, such as consumer electronics, architectural integration and light-weight sensors. Key materials advantages of these next generation SCs over conventional semiconductor SCs are in design opportunities--since the different functions of the SCs are carried out by different materials, there are greater materials choices for producing optimized structures. In this project, we explore the hybrid organic-inorganic solar cell system that consists of oxide, primarily ZnO, nanostructures as the electron transporter and poly-(3-hexylthiophene) (P3HT) as the light-absorber and hole transporter. It builds on our capabilities in the solution synthesis of nanostructured semiconducting oxide arrays to this photovoltaic (PV) technology. The three challenges in this hybrid material system for solar applications are (1) achieving inorganic nanostructures with critical spacing that matches the exciton diffusion in the polymer, {approx} 10 nm, (2) infiltrating the polymer completely into the dense nanostructure arrays, and (3) optimizing the interfacial properties to facilitate efficient charge transfer. We have gained an understanding and control over growing oriented ZnO nanorods with sub-50 nm diameters and the required rod-to-rod spacing on various substrates. We have developed novel approaches to infiltrate commercially available P3HT in the narrow spacing between ZnO nanorods. Also, we have begun to explore ways to modify the interfacial properties. In addition, we have established device fabrication and testing capabilities at Sandia for prototype devices. Moreover, the control synthesis of ZnO nanorod arrays lead to the development of an efficient anti-reflection coating for multicrystalline Si solar cells. An important component of this project is the collaboration with Dr. Dave Ginley's group at NREL. The NREL efforts, which are funded by NREL's LDRD program, focus on measuring device performance, external quantum efficiency, photoconductance through highly specialized non-contact time-resolved microwave conductivity (TRMC) measurements, and vapor phase deposition of oxide materials. The close collaboration with NREL enables us to enter this competitive field in such short time. Joint publications and presentations have resulted from this fruitful collaboration. To this date, 5 referred journal papers have resulted from this project, with 2 more in preparation. Several invited talks and numerous contributed presentations in international conferences are also noted. Sandia has gained the reputation of being one of forefront research groups on nanostructured hybrid solar cells.
Tillery, Suzanne; King, James P.; Tidwell, Vincent C.
A new option for Local Time-Stepping (LTS) was developed to use in conjunction with the multiple-refined-area grid capability of the U.S. Geological Survey's (USGS) groundwater modeling program, MODFLOW-LGR (MF-LGR). The LTS option allows each local, refined-area grid to simulate multiple stress periods within each stress period of a coarser, regional grid. This option is an alternative to the current method of MF-LGR whereby the refined grids are required to have the same stress period and time-step structure as the coarse grid. The MF-LGR method for simulating multiple-refined grids essentially defines each grid as a complete model, then for each coarse grid time-step, iteratively runs each model until the head and flux changes at the interfacing boundaries of the models are less than some specified tolerances. Use of the LTS option is illustrated in two hypothetical test cases consisting of a dual well pumping system and a hydraulically connected stream-aquifer system, and one field application. Each of the hypothetical test cases was simulated with multiple scenarios including an LTS scenario, which combined a monthly stress period for a coarse grid model with a daily stress period for a refined grid model. The other scenarios simulated various combinations of grid spacing and temporal refinement using standard MODFLOW model constructs. The field application simulated an irrigated corridor along the Lower Rio Grande River in New Mexico, with refinement of a small agricultural area in the irrigated corridor. The results from the LTS scenarios for the hypothetical test cases closely replicated the results from the true scenarios in the refined areas of interest. The head errors of the LTS scenarios were much smaller than from the other scenarios in relation to the true solution, and the run times for the LTS models were three to six times faster than the true models for the dual well and stream-aquifer test cases, respectively. The results of the field application show that better estimates of daily stream leakage can be made with the LTS simulation, thereby improving the efficiency of daily operations for an agricultural irrigation system.
Node-based architecture (NBA) designs for future satellite projects hold the promise of decreasing system development time and costs, size, weight, and power and positioning the laboratory to address other emerging mission opportunities quickly. Reconfigurable Field Programmable Gate Array (FPGA) based modules will comprise the core of several of the NBA nodes. Microprocessing capabilities will be necessary with varying degrees of mission-specific performance requirements on these nodes. To enable the flexibility of these reconfigurable nodes, it is advantageous to incorporate the microprocessor into the FPGA itself, either as a hardcore processor built into the FPGA or as a soft-core processor built out of FPGA elements. This document describes the evaluation of three reconfigurable FPGA based processors for use in future NBA systems--two soft cores (MicroBlaze and non-fault-tolerant LEON) and one hard core (PowerPC 405). Two standard performance benchmark applications were developed for each processor. The first, Dhrystone, is a fixed-point operation metric. The second, Whetstone, is a floating-point operation metric. Several trials were run at varying code locations, loop counts, processor speeds, and cache configurations. FPGA resource utilization was recorded for each configuration. Cache configurations impacted the results greatly; for optimal processor efficiency it is necessary to enable caches on the processors. Processor caches carry a penalty; cache error mitigation is necessary when operating in a radiation environment.