Publications

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Thin-film mechanical properties can be measured using nanoindentation combined with detailed finite element modeling. This technique was used for a study of very fine grained Ni films, formed using pulsed-laser deposition on fused silica, sapphire, and Ni substrates. The grain sizes in the films were characterized by electron microscopy, and the mechanical properties were determined by ultra-low load indentation, analyzed using finite element modeling to separate the mechanical properties of the thin layers from those of the substrates. Some Ni films were deposited at high temperature or annealed after deposition to enlarge the grain sizes. The observed hardnesses and grain sizes in these thin Ni films are consistent with the empirical Hall-Petch relationship for grain sizes ranging from a few micrometers to as small as 10 nm, suggesting that deformation occurs preferentially by dislocation movement even in such nanometer-size grains.

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Enormous interest exists to develop the next generation of an integrated microsystem for chemical and biological analysis ({mu}ChemLab{trademark}) and to further reduce the volume of the system. One approach is to scale down the size of critical components and to explore any pumping mechanism that can minimize the power requirement. Since the majority of the pumping requirement is to overcome the wall resistance in the gas chromatography (GC) column, our attention is to study the gas flow in this GC column. As the column dimension decreases, the gaseous flow will go from a continuum regime into a non-continuum regime; i.e., slip, transition, and free molecular regimes. Thus it is very important to well characterize the gaseous flow in submicron columns and to understand its flow behavior. Specifically, in this study, our focus is to investigate the effects of viscosity, rarefaction, and compressibility as the column dimension decreases. Both theoretical predictions and experimental results will be presented.

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Sandia National Laboratories was tasked by the Japan Nuclear Cycle Development Institute (JNC) to provide assistance in developing an emergency response plan for radioactive material transportation activities. Those tasks included compiling radioactive materials (RAM) transportation accident data from the open literature and databases, investigating emergency response plans for radioactive materials transport in the United States, and developing specific recommendations for the JNC' nuclear material transport emergency response plan, based on information gathered during the first two tasks. These recommendations include developing a RAM database, a public transparency Internet website, an emergency response infrastructure designed specifically for transportation needs, and a clear set of directives to provide authority in the case of transportation accidents or incidents involving RAM.

This report presents background information and methodology for a risk assessment of mixed oxide (MOX) reactor fuel transport in the nation of Japan to support their nuclear energy program. This work includes an extensive literature review, a review of other MOX activities worldwide, a survey of the statutory requirements for transporting nuclear materials, a discussion of risk assessment methodology, and calculation results for specific examples. Typical risk evaluations are given to provide guidance for later risk analyses specific to MOX fuel transport in Japan. This report also includes specific information that will be required for routes, cask types, accident-rate statistics, and population densities along specified routes, along with other detailed information needed for risk analysis studies pertinent to MOX transport in Japan. This information will be used in future specific risk studies.

The Cooperative Monitoring Center (CMC) promotes collaborations among scientists and researchers in several regions as a means of achieving common regional security objectives. To promote cooperation in South Asia on environmental research, an international working group made up of participants from Bangladesh, India, Nepal, Pakistan, and the United States convened in Kathmandu, Nepal, from February 17-23,2002. The workshop was held to further develop the South Asia Transboundary Water Quality Monitoring (SATWQM) project. The project is sponsored in part by the CMC located at Sandia National Laboratories in Albuquerque, New Mexico through funding provided by the US. Department of State, Regional Environmental Affairs Office, American Embassy, Kathmandu, Nepal, and the National Nuclear Security Administration's (NNSA) Office of Nonproliferation and National Security. This report summarizes the SATWQM project, the workshop objectives, process and results. The long-term interests of the participants are to develop systems for sharing regional environmental information as a means of building confidence and improving relations among South Asian countries. The more immediate interests of the group are focused on activities that foster regional sharing of water quality data in the Ganges and Indus River basins. Issues of concern to the SATWQM network participants include studying the impacts from untreated sewage and industrial effluents, agricultural run-off, salinity increases in fresh waters, the siltation and shifting of river channels, and the environmental degradation of critical habitats such as wetlands, protected forests, and endangered aquatic species conservation areas. The workshop focused on five objectives: (1) a deepened understanding of the partner organizations involved; (2) garnering the support of additional regional and national government and non-government organizations in South Asia involved in river water quality monitoring; (3) identification of sites within the region at which water quality data are to be collected; (4) instituting a data and information collection and sharing process; and, (5) training of partners in the use of water quality monitoring equipment.

This document provides a guide to the deployment of the software verification activities, software engineering practices, and project management principles that guide the development of Accelerated Strategic Computing Initiative (ASCI) applications software at Sandia National Laboratories (Sandia). The goal of this document is to identify practices and activities that will foster the development of reliable and trusted products produced by the ASCI Applications program. Document contents include an explanation of the structure and purpose of the ASCI Quality Management Council, an overview of the software development lifecycle, an outline of the practices and activities that should be followed, and an assessment tool.

Ultra fast, sub-nanosecond (picosecond to femtosecond) duration, laser pulses present unique challenges when performing laser safety analysis involving mode-locked lasers, which operate at pulse repetition frequencies above the critical frequency in the near infrared wavelength bands. Two specific cases are presented, one such case that agrees and one that disagrees with the general rule on critical frequency. The results show that in all cases the appropriate maximum permissible exposure is always the smallest of the values calculated from ANSI rule 1, 2 and 3.

Cavity expansion is a method for modeling the penetration of an axisymmetric or wedge-shaped solid body--a penetrator--into a target by using analytic expressions to capture the effects of the target on the body. Cavity expansion has been implemented as a third-party library (CavityExpansion) that can be used with explicit, transient dynamics codes. This document describes the mechanics of the cavity expansion model implemented as a third-party library. This document also describes the applications interface to CavityExpansion. A set of regression tests has been developed that can be used to test the implementation of CavityExpansion in a transient dynamics code. The mechanics of these tests and the expected results from the tests are described in detail.

Presto is a Lagrangian, three-dimensional explicit, transient dynamics code for the analysis of solids subjected to large, suddenly applied loads. Presto is designed for problems with large deformations, nonlinear material behavior, and contact. There is a versatile element library incorporating both continuum and structural elements. The code is designed for a parallel computing environment. This document describes the input for the code that gives users access to all of the current functionality in the code. Presto is built in an environment that allows it to be coupled with other engineering analysis codes. The input structure for the code, which uses a concept called scope, reflects the fact that Presto can be used in a coupled environment. This guide describes the scope concept and the input from the outermost to the innermost input scopes. Within a given scope, the descriptions of input commands are grouped based on code functionality. For example, all material input command lines are described in a section of the user's guide for all of the material models in the code.

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The Navruz Project is a cooperative, transboundary, river monitoring project involving rivers and institutions in Kazakhstan, Kyrgyzstan, Tajikistan, and Uzbekistan, and facilitated by Sandia National Laboratories in the U.S. The Navruz Project focuses on waterborne radionuclides and metals because of their importance to public health and nuclear materials proliferation concerns in the region. The Project also collects data on basic water quality parameters. Data obtained in this project are shared among all participating countries and the public through a world-wide web site (http://www.cmc.sandia.org/Central/centralasia.html), and are available for use in further studies and in regional transboundary water resource management efforts. This report includes graphs showing selected data from the Fall 2000 and Spring 2001 sampling seasons. These data include all parameters grouped into six regions, including main rivers and some tributaries in the Amu Darya and Syr Darya river systems. This report also assembles all data (in tabular form) generated by the project from Fall 2000 through Fall 2001. This report comes as the second part of a planned three-part reporting process. The first report is the Sampling and Analysis Plan and Operational Manual, SAND 2002-0484. This is the second report.

The three-year LDRD ''CNC Micromachines'' was successfully completed at the end of FY02. The project had four major breakthroughs in spatial motion control in MEMS: (1) A unified method for designing scalable planar and spatial on-chip motion control systems was developed. The method relies on the use of parallel kinematic mechanisms (PKMs) that when properly designed provide different types of motion on-chip without the need for post-fabrication assembly, (2) A new type of actuator was developed--the linear stepping track drive (LSTD) that provides open loop linear position control that is scalable in displacement, output force and step size. Several versions of this actuator were designed, fabricated and successfully tested. (3) Different versions of XYZ translation only and PTT motion stages were designed, successfully fabricated and successfully tested demonstrating absolutely that on-chip spatial motion control systems are not only possible, but are a reality. (4) Control algorithms, software and infrastructure based on MATLAB were created and successfully implemented to drive the XYZ and PTT motion platforms in a controlled manner. The control software is capable of reading an M/G code machine tool language file, decode the instructions and correctly calculate and apply position and velocity trajectories to the motion devices linear drive inputs to position the device platform along the trajectory as specified by the input file. A full and detailed account of design methodology, theory and experimental results (failures and successes) is provided.

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Controlled leak rate devices of fluoroform on the order of 10{sup -8} atm {center_dot} cc sec{sup -1} at 25 C are used to calibrate QC-1 War Reserve neutron tube exhaust stations for leak detection sensitivity. Close-out calibration of these tritium-contaminated devices is provided by the Gas Dynamics and Mass Spectrometry Laboratory, Organization 14406, which is a tritium analytical facility. The mass spectrometric technique used for the measurement is discussed, as is the first principals calculation (pressure, volume, temperature and time). The uncertainty of the measurement is largely driven by contributing factors in the determination of P, V and T. The expanded uncertainty of the leak rate measurement is shown to be 4.42%, with a coverage factor of 3 (k=3).

The dynamic response of critical aerospace components is often strongly dependent upon the dynamic behavior of bolted connections that attach the component to the surrounding structure. These bolted connections often provide the only structural load paths to the component. The bolted joint investigated in this report is an inclined lap-type joint with the interface inclined with respect to the line of action of the force acting on the joint. The accurate analytical modeling of these bolted connections is critical to the prediction of the response of the component to normal and high-level shock environmental loadings. In particular, it is necessary to understand and correctly model the energy dissipation (damping) of the bolted joint that is a nonlinear function of the forces acting on the joint. Experiments were designed and performed to isolate the dynamics of a single bolted connection of the component. Steady state sinusoidal and transient experiments were used to derive energy dissipation curves as a function of input force. Multiple assemblies of the bolted connection were also observed to evaluate the variability of the energy dissipation of the connection. These experiments provide insight into the complex behavior of this bolted joint to assist in the postulation and development of reduced order joint models to capture the important physics of the joint including stiffness and damping. The experiments are described and results presented that provide a basis for candidate joint model calibration and comparison.

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A systematic computational and experimental study is presented on impact generated debris resulting from record-high impact speeds recently achieved on the Sandia three-stage light-gas gun. In these experiments, a target plate of aluminum is impacted by a titanium-alloy flyer plate at speeds ranging from 6.5 to 11 km/s, producing pressures from 1 Mb to over 2.3 Mb, and temperatures as high as 15000 K (>1 eV). The aluminum plate is totally melted at stresses above 1.6 Mb. Upon release, the thermodynamic release isentropes will interact with the vapor dome. The amount of vapor generated in the debris cloud will depend on many factors such as the thickness of the aluminum plate, super-cooling, vaporization kinetics, the distance, and therefore time, over which the impact-generated debris is allowed to expand. To characterize the debris cloud, the velocity history produced by stagnation of the aluminum expansion products against a witness plate is measured using velocity interferometry. X-ray measurements of the debris cloud are also recorded prior to stagnation against an aluminum witness plate. Both radiographs and witness-plate velocity measurements suggest that the vaporization process is both time-dependent and heterogeneous when the material is released from shocked states around 230 GPa. Experiments suggest that the threshold for vaporization kinetics in aluminum should become significant when expanded from shocked states over 230 GPa. Numerical simulations are conducted to compare the measured x-ray radiographs of the debris cloud and the time-resolved experimental interferometer record with calculational results using the 3-D hydrodynamic wavecode, CTH. Results of these experiments and calculations are discussed in this paper.

This report describes the research accomplishments achieved under the LDRD Project ''High-Bandwidth Optical Data Interconnects for Satellite Applications.'' The goal of this LDRD has been to address the future needs of focal-plane-array (FPA) sensors by exploring the use of high-bandwidth fiber-optic interconnects to transmit FPA signals within a satellite. We have focused primarily on vertical-cavity surface-emitting laser (VCSEL) based transmitters, due to the previously demonstrated immunity of VCSELs to total radiation doses up to 1 Mrad. In addition, VCSELs offer high modulation bandwidth (roughly 10 GHz), low power consumption (roughly 5 mW), and high coupling efficiency (greater than -3dB) to optical fibers. In the first year of this LDRD, we concentrated on the task of transmitting analog signals from a cryogenic FPA to a remote analog-to-digital converter. In the second year, we considered the transmission of digital signals produced by the analog-to-digital converter to a remote computer on the satellite. Specifically, we considered the situation in which the FPA, analog-to-digital converter, and VCSEL-based transmitter were all cooled to cryogenic temperatures. This situation requires VCSELs that operate at cryogenic temperature, dissipate minimal heat, and meet the electrical drive requirements in terms of voltage, current, and bandwidth.

This report summarizes the activities of the Computer Science Research Institute (CSRI) at Sandia National Laboratories during the period January 1, 2002 to December 31, 2002. During this period the CSRI hosted 172 visitors representing 95 universities, companies or laboratories. Of these 56 were summer students or faculty. The CSRI also organized and hosted five workshops with 171 participants. Of these 94 attendees were from 64 universities, companies or laboratories, and 77 were from Sandia. Finally, the CSRI sponsored 14 long-term collaborative research projects.

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Quantum dot nanostructures were investigated experimentally and theoretically for potential applications for optoelectronic devices. We have developed the foundation to produce state-of-the-art compound semiconductor nanostructures in a variety of materials: In(AsSb) on GaAs, GaSb on GaAs, and In(AsSb) on GaSb. These materials cover a range of energies from 1.2 to 0.7 eV. We have observed a surfactant effect in InAsSb nanostructure growth. Our theoretical efforts have developed techniques to look at the optical effects induced by many-body Coulombic interactions of carriers in active regions composed of quantum dot nanostructures. Significant deviations of the optical properties from those predicted by the ''atom-like'' quantum dot picture were discovered. Some of these deviations, in particular, those relating to the real part of the optical susceptibility, have since been observed in experiments.

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[1] We used a two-dimensional coupled heat and fluid flow model to investigate large-scale, lateral heat and fluid transport on the eastern flank of the Juan de Fuca Ridge. Cool seawater in the natural system is inferred to enter basement where it is exposed close to the spreading center and flow laterally beneath thick sediments, causing seafloor heat flow to be depressed relative to that input at the base of the plate. The flow rate, and thus the properties of permeable basement (the flow layer), controls the efficiency of lateral heat transport, as quantified through numerical modeling. We simulated forced flow in this layer by pumping water through at a fixed rate and quantified relations between flow rate, thickness of the permeable basement, and the extent of suppression of seafloor heat flow. Free flow simulations, in which fluid flow was not forced, match heat flow constraints if nonhydrostatic initial conditions are used and flow layer permeabilities are set to the high end of observed values (10-11 to 10-9 m2). To match seafloor heat flow observations, the models required lateral specific discharge of 1.2 to 40 m/yr for flow layer thicknesses of 600 to 100 m, respectively. The models also replicate differences in fluid pressures in basement, and the local distribution of pressures above and below hydrostatic. Estimated lateral flow rates are 10× to 1000× greater than estimates based on radiocarbon ages of basement pore waters. Estimated lateral flow rates based on thermal and chemical constraints can be reconciled if diffusion from discrete flow zones into less permeable stagnant zones in the crust is considered. © 2003 by the American Geophysical Union.

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We consider the problem of placing sensors in a network to detect and identify the source of any contamination. We consider two variants of this problem: (1) sensor-constrained: we are allowed a fixed number of sensors and want to minimize contamination detection time; and (2) time-constrained: we must detect contamination within a given time limit and want to minimize the number of sensors required. Our main results are as follows. First, we give a necessary and sufficient condition for source identification. Second, we show that the sensor and time constrained versions of the problem are polynomially equivalent. Finally, we show that the sensor-constrained version of the problem is polynomially equivalent to the asymmetric k-center problem and that the time-constrained version of the problem is polynomially equivalent to the dominating set problem.

This remote sensing science and exploitation work focused on exploitation algorithms and methods targeted at the analyst. SMART is a 'plug-in' to commercial remote sensing software that provides algorithms to enhance the utility of the Multispectral Thermal Imager (MTI) and other multispectral satellite data. This toolkit has been licensed to 22 government organizations.

This report documents the research into the application of hierarchical Bayesian methods for characterizing the population failure rate (i.e. probability of defect) of an electronic component based on test data from a number of different test modalities. Classical statistical methods, those based on a frequency approach permit the combination of point estimates but stumble when characterizing the resulting confidence limits. Classical Bayesian methods permit the logical combination of test data, but are not fully efficient in incorporating all available information. In particular, classical Bayesian methods assume that the articles under test are not related in any manner even though the articles may be identical. Alternatively, hierarchical Bayesian methods permit the relationship between test articles to be explicitly included in the analysis. Data from four different test modalities are considered in the analysis. Comparisons are made between the current analysis approach (using traditional statistical methods), classical Bayesian methods and a hierarchical Bayesian approach.

Three levels of fission product diffusional release models are solved exactly. First, the Booth model for a homogeneous uncoated spherical fuel particle is presented and an improved implementation is suggested. Second, the release from a fuel particle with a single barrier layer is derived as a simple alternative to account for a coating layer. Third, the general case of release from a multicoated fuel particle is derived and applied to a TRISO-coated fuel. Previous approaches required approximate numerical solutions for the case of an arbitrary number of coatings with arbitrary diffusivities and arbitrary coating interface conditions.

The technical and economic feasibility of applying used electric vehicle (EV) batteries in stationary applications was evaluated in this study. In addition to identifying possible barriers to EV battery reuse, steps needed to prepare the used EV batteries for a second application were also considered. Costs of acquiring, testing, and reconfiguring the used EV batteries were estimated. Eight potential stationary applications were identified and described in terms of power, energy, and duty cycle requirements. Costs for assembly and operation of battery energy storage systems to meet the requirements of these stationary applications were also estimated by extrapolating available data on existing systems. The calculated life cycle cost of a battery energy storage system designed for each application was then compared to the expected economic benefit to determine the economic feasibility. Four of the eight applications were found to be at least possible candidates for economically viable reuse of EV batteries. These were transmission support, light commercial load following, residential load following, and distributed node telecommunications backup power. There were no major technical barriers found, however further study is recommended to better characterize the performance and life of used EV batteries before design and testing of prototype battery systems.

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The intrusion of gas into oils stored within the SPR has been examined. When oil is stored in domal salts, gases intrude into the stored oil from the surrounding salt. Aspects of the mechanism of gas intrusion have been examined. In all cases, this gas intrusion results in increases in the oil vapor pressure. Data that have been gathered from 1993 to August 2002 are presented to show the resultant increases in bubble-point pressure on a cavern-by-cavern as well as on a stream basis. The measurement techniques are presented with particular emphasis on the TVP 95. Data analysis methods are presented to show the methods required to obtain recombined cavern oil compositions. Gas-oil ratios are also computed from the data and are presented on a cavern-by-cavern and stream basis. The observed increases in bubble-point pressure and gas-oil ratio are further statistically analyzed to allow data interpretation. Emissions plume modeling is used to determine adherence to state air regulations. Gas intrusion is observed to be variable among the sites and within each dome. Gas intrusions at Bryan Mound and Big Hill have resulted in the largest increases in bubble-point pressure for the Strategic Petroleum Reserve (SPR). The streams at Bayou Choctaw and West Hackberry show minimal bubble-point pressure increases. Emissions plume modeling, using the state mandated ISCST code, of oil storage tanks showed that virtually no gas may be released when H2S standards are considered. DOE plans to scavenge H2S to comply with the very tight standards on this gas. With the assumption of scavenging, benzene releases become the next most controlling factor. Model results show that a GOR of 0.6 SCF/BBL may be emissions that are within standards. Employing the benzene gas release standard will significantly improve oil deliverability. New plume modeling using the computational fluid dynamics code, FLUENT, is addressing limitations of the state mandated ISCST model.

The development of precision pointing systems has been underway in Sandia's Electronic Systems Center for over thirty years. Important areas of emphasis are synthetic aperture radars and optical reconnaissance systems. Most applications are in the aerospace arena, with host vehicles including rockets, satellites, and manned and unmanned aircraft. Systems have been used on defense-related missions throughout the world. Presently in development are pointing systems with accuracy goals in the nanoradian regime. Future activity will include efforts to dramatically reduce system size and weight through measures such as the incorporation of advanced materials and MEMS inertial sensors.

Presto is a Lagrangian, three-dimensional explicit, transient dynamics code for the analysis of solids subjected to large, suddenly applied loads. Presto is designed for problems with large deformations, nonlinear material behavior, and contact.

Sandia National Laboratories has developed a unique method for a hyper-velocity launch (HVL), the three-stage gun. The three-stage gun is a modified two-stage light-gas gun, consisting of a piston used in the first stage, an impactor in the second stage, and a flyer plate in the third stage. The impactor is made up of different material layers that are increasing in shock impedance. The graded or pillowed layers allow the flyer to be launched at velocities up to 16 km/s without the formation of a single shock wave in the flyer plate and without it melting. Under certain experimental conditions the flyer velocity cannot be measured by standard means, X-rays and VISAR. Also, there is a need to know the flyer velocity prior to a launch in order to calibrate instruments and determine the appropriate shot configuration. The objective of HVL{_}CTH is to produce an accurate forecast of the flyer plate velocity under different launch conditions. CTH is a Eulerian shock physics computational analysis package developed at Sandia National Laboratories. Using CTH requires knowledge of its syntax and capabilities. HVL{_}CTH allows the user to easily interface with CTH, through the use of Fortran programs and batch files, in order to simulate the three-stage launch of a flyer plate. The program, HVL{_}CTH, requires little to no knowledge of the CTH program and greatly reduces the time needed to calculate the flyer velocity. Users of HVL{_}CTH are assumed to have no experience with CTH. The results from HVL{_}CTH were compared to results of X-ray and VISAR measurements obtained from HVL experiments. The comparisons show that HVL{_}CTH was within 1-2% of the X-Ray and VISAR results most of the time.

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Rotation sensors (gyros) and accelerometers are essential components for all precision-guided weapons and autonomous mobile surveillance platforms. MEMS gyro development has been based primarily on the properties of moving mass to sense rotation and has failed to keep pace with the concurrent development of MEMS accelerometers because the reduction of size and therefore mass is substantially more detrimental to the performance of gyros than to accelerometers. A small ({approx}0.2 cu in), robust ({approx}20,000g), inexpensive ({approx}$500), tactical grade performance ({approx}10-20 deg/hr.) gyro is vital for the successful implementation of the next generation of ''smart'' weapons and surveillance apparatus. The range of applications (relevant to Sandia's mission) that are substantially enhanced in capability or enabled by the availability of a gyro possessing the above attributes includes nuclear weapon guidance, fuzing, and safing; synthetic aperture radar (SAR) motion compensation; autonomous air and ground vehicles; gun-launched munitions; satellite control; and personnel tracking. For example, a gyro of this capability would open for consideration more fuzing options for earth-penetration weapons. The MEMS gyros currently available are lacking in one or more of the aforementioned attributes. An integrated optical gyro, however, possesses the potential of achieving all desired attributes. Optical gyros use the properties of light to sense rotation and require no moving mass. Only the individual optical elements required for the generation, detection, and control of light are susceptible to shock. Integrating these elements immensely enhances the gyro's robustness while achieving size and cost reduction. This project's goal, a joint effort between organizations 2300 and 1700, was to demonstrate an RMOG produced from a monolithic photonic integrated circuit coupled with a SiON waveguide resonator. During this LDRD program, we have developed the photonic elements necessary for a resonant micro-optical gyro. We individually designed an AlGaAs distributed Bragg reflector laser; GaAs phase modulator and GaAs photodiode detector. Furthermore, we have fabricated a breadboard gyroscope, which was used to confirm modeling and evaluate signal processing and control circuits.

Many MEMS-based components require optical monitoring techniques using optoelectronic devices for converting mechanical position information into useful electronic signals. While the constituent piece-parts of such hybrid opto-MEMS components can be separately optimized, the resulting component performance, size, ruggedness and cost are substantially compromised due to assembly and packaging limitations. GaAs MOEMS offers the possibility of monolithically integrating high-performance optoelectronics with simple mechanical structures built in very low-stress epitaxial layers with a resulting component performance determined only by GaAs microfabrication technology limitations. GaAs MOEMS implicitly integrates the capability for radiation-hardened optical communications into the MEMS sensor or actuator component, a vital step towards rugged integrated autonomous microsystems that sense, act, and communicate. This project establishes a new foundational technology that monolithically combines GaAs optoelectronics with simple mechanics. Critical process issues addressed include selectivity, electrochemical characteristics, and anisotropy of the release chemistry, and post-release drying and coating processes. Several types of devices incorporating this novel technology are demonstrated.

Lipophosphoglycan (LPG) is a lypopolysaccharide found on the surface of the parasite Leishmania donovani that is thought to play an essential role in the infection of humans with leishamniasis. LPG acts as an adhesion point for the parasite to the gut of the sand fly, whose bite is responsible for transmitting the disease. In addition, LPG acts to inhibit protein kinase C (PKC) in the human macrophage, possibly by structural changes in the membrane. The Ca{sup 2+} ion is believed to play a role in the infection cycle, acting both as a crosslinker between LPG molecules and by playing a part in modulating PKC activity. To gain insight into the structure of LPG within a supported lipid membrane and into the structural changes that occur due to Ca{sup 2+} ions, we have employed the atomic force microscope (AFM). We have observed that the LPG molecules inhibit bilayer fusion, resulting in bilayer islands on the mica surface. One experiment suggests that the LPG molecules are parallel to the mica surface and that the structure of the LPG changes upon addition of Ca{sup 2+}, with an increase in the height of the LPG molecules from the bilayer surface and an almost complete coverage of LPG on the bilayer island.

Crucial to low-level detection of biowarfare agents in aqueous environments is the mass sensitivity optimization of Love-wave acoustic sensors. The present work is an experimental study of 36{sup o} YX cut LiTaO{sub 3} based Love-wave devices for detection of pathogenic spores in aqueous conditions. Given that the detection limit (DL) of Love-wave based sensors is a strong function of the overlying waveguide, two waveguide materials have been investigated, which are polyimide and polystyrene. To determine the mass sensitivity of Love-wave sensor, bovine serum albumin (BSA) protein was injected into the Love-wave test cell while recording magnitude and phase shift across each sensor. Polyimide had the lowest mass detection limit with an estimated value of 1-2 ng/cm{sup 2}, as compared to polystyrene where DL = 2.0 ng/cm{sup 2}. Suitable chemistries were used to orient antibodies on the Love-wave sensor using adsorbed protein G. The thickness of each biofilm was measured using ellipsometry from which the surface concentrations were calculated. The monoclonal antibody BD8 with a high degree of selectivity for anthrax spores was used to capture the non-pathogenic simulant B. thuringiensis B8 spores. Bacillus Subtilis spores were used as a negative control to determine whether significant non-specific binding would occur. Spore aliquots were prepared using an optical counting method, which permitted removal of background particles for consistent sample preparation. This work demonstrates that Love-wave devices can be used to detect B. anthracis simulant below reported infectious levels.

A conceptual model of the MIU site in central Japan, was developed to predict the groundwater system response to pumping. The study area consisted of a fairly large three-dimensional domain, having the size 4.24 x 6 x 3 km{sup 3} with three different geological units, upper and lower fractured zones and a single fault unit. The resulting computational model comprised of 702,204 finite difference cells with variable grid spacing. Both steady-state and transient simulations were completed to evaluate the influence of two different surface boundary conditions: fixed head and no flow. Steady state results were used for particle tracking and also serving as the initial conditions (i.e., starting heads) for the transient simulations. Results of the steady state simulations indicate the significance of the choice of surface (i.e., upper) boundary conditions and its effect on the groundwater flow patterns along the base of the upper fractured zone. Steady state particle tracking results illustrate that all particles exit the top of the model in areas where groundwater discharges to the Hiyoshi and Toki rivers. Particle travel times range from 3.6 x 10{sup 7} sec (i.e., {approx}1.1 years) to 4.4 x 10{sup 10} sec (i.e., {approx}1394 years). For the transient simulations, two pumping zones one above and another one below the fault are considered. For both cases, the pumping period extends for 14 days followed by an additional 36 days of recovery. For the pumping rates used, the maximum drawdown is quite small (ranging from a few centimeters to a few meters) and thus, pumping does not severely impact the groundwater flow system. The range of drawdown values produced by pumping below the fault are generally much less sensitive to the choice of the boundary condition than are the drawdowns resulted from the pumping zone above the fault.

Several major issues associated with model validation are addressed here. First, we extend the application-based, model validation metric presented in Hills and Trucano (2001) to the Maximum Likelihood approach introduced in Hills and Trucano (2002). This method allows us to use the target application of the code to weigh the measurements made from a validation experiment so that those measurements that are most important for the application are more heavily weighted. Secondly, we further develop the linkage between suites of validation experiments and the target application so that we can (1) provide some measure of coverage of the target application and, (2) evaluate the effect of uncertainty in the measurements and model parameters on application level validation. We provide several examples of this approach based on steady and transient heat conduction, and shock physics applications.

The primary goal of the WindPACT Blade System Design Study (BSDS) was investigation and evaluation of design and manufacturing issues for wind turbine blades in the one to ten megawatt size range. The initial project task was to assess the fundamental physical and manufacturing issues that govern and constrain large blades and entails three basic elements: (1) a parametric scaling study to assess blade structure using current technology, (2) an economic study of the cost to manufacture, transport, and install large blades, and (3) identification of promising innovative design approaches that show potential for overcoming fundamental physical and manufacturing constraints. This report discusses several innovative design approaches and their potential for blade cost reduction. During this effort we reviewed methods for optimizing the blade cross-section to improve structural and manufacturing characteristics. We also analyzed and compared a number of composite materials and evaluated their relative merits for use in large wind turbine blades in the range from 30 meters to 70 meters. The results have been summarized in dimensional and non-dimensional format to aid in interpretation. These results build upon earlier parametric and blade cost studies, which were used as a guide for the innovative design approaches explored here.

This report describes the activities on the ''Ultra Miniaturization of RF'' project conducted as part of Sandia's Laboratory Directed Research and Development (LDRD) program. The objective was to evaluate a multichip module technology known as Microwave Chip on Flex (MCOF) [1], which is a newer form of the standard high density interconnect (HDI) technology originally developed by General Electric and Lockheed Martin [2,3]. The program was a three-year effort. In the first year, the team focused on understanding the technology and developing a basic design library. In the second year, devices and interconnects used at L, X, and Ku frequency bands were evaluated via a test coupon (with no application specific circuit design). In the third year, we designed, fabricated, and evaluated a specific Ku-band circuit. The circuit design and layout was performed by Sandia, and the module fabrication was performed by Lockheed Martin Government Electronic Systems. In MCOF technology [1], bare die are placed face down on an adhesive backed flex circuit. The first level of the circuit is a pre-patterned titanium copper thin film metal system on a polyimide dielectric material. The complete module is then framed and filled with an epoxy encapsulant. The module is flipped and via holes are laser drilled through subsequent interconnect layers. Each addition layer is adhered to the top of the module and laser drilling repeated. The baseline design consisted of the original pre-patterned layer plus two additional metal layers. The base of the module is then machined so the heat spreader and frame are planar for a good thermal and electrical connection to the next assembly. This report describes the efforts conducted to evaluate the technology and its applicability to Sandia RF systems.

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Water shortages affect 88 developing countries that are home to half of the world's population. In these places, 80-90% of all diseases and 30% of all deaths result from poor water quality. Furthermore, over the next 25 years, the number of people affected by severe water shortages is expected to increase fourfold. Low cost methods to desalinate brackish water and sea water can help reverse this destabilizing trend. Desalination has now been practiced on a large scale for more than 50 years. During this time continual improvements have been made, and the major technologies are now remarkably efficient, reliable, and inexpensive. For many years, thermal technologies were the only viable option, and multi-stage flash (MSF) was established as the baseline technology. Multi-effect evaporation (MEE) is now the state-of-the-art thermal technology, but has not been widely implemented. With the growth of membrane science, reverse osmosis (RO) overtook MSF as the leading desalination technology, and should be considered the baseline technology. Presently, RO of seawater can be accomplished with an energy expenditure in the range of 11-60 kJ/kg at a cost of $2 to $4 per 1000 gallons. The theoretical minimum energy expenditure is 3-7 kJ/kg. Since RO is a fairly mature technology, further improvements are likely to be incremental in nature, unless design improvements allow major savings in capital costs. Therefore, the best hope to dramatically decrease desalination costs is to develop ''out of the box'' technologies. These ''out of the box'' approaches must offer a significant advantage over RO (or MEE, if waste heat is available) if they are to be viable. When making these comparisons, it is crucial that the specifics of the calculation are understood so that the comparison is made on a fair and equivalent basis.

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The Green Zia Environmental Excellence Program is a voluntary program designed to support and assist all New Mexico businesses to achieve environmental excellence through continuous improvement and effective energy management. The program encourages integration of environmental excellence into business operations and management practices through the establishment of a prevention-based environmental management system. The Neutron Generator Production Facility has participated in the Green Zia Environmental Excellence Program for two years. This document is the submittal application for inclusion in the 2003 Green Zia program year.

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Thermophotovoltaics (TPV) converts the radiant energy of a thermal source into electrical energy using photovoltaic cells. TPV has a number of attractive features, including: fuel versatility (nuclear, fossil, solar, etc.), quiet operation, low maintenance, low emissions, light weight, high power density, modularity, and possibility for cogeneration of heat and electricity. Some of these features are highly attractive for military applications (Navy and Army). TPV could also be used for distributed power and automotive applications wherever fuel cells, microturbines, or cogeneration are presently being considered if the efficiencies could be raised to around 30%. This proposal primarily examine approaches to improving the radiative efficiency. The ideal irradiance for the PV cell is monochromatic illumination at the bandgap. The photonic crystal approach allows for the tailoring of thermal emission spectral bandwidth at specific wavelengths of interest. The experimental realization of metallic photonic crystal structures, the optical transmission, reflection and absorption characterization of it have all been carried out in detail and will be presented next. Additionally, comprehensive models of TPV conversion has been developed and applied to the metallic photonic crystal system.

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Retinal prosthesis projects around the world have been pursuing a functional replacement system for patients with retinal degeneration. In this paper, the concept for a micromachined conformal electrode array is outlined. Individual electrodes are designed to float on micromachined springs on a substrate that will enable the adjustment of spring constants-and therefore contact force-by adjusting the dimensions of the springs at each electrode. This also allows the accommodation of the varying curvature/topography of the retina. We believe that this approach provides several advantages by improving the electrode/tissue interface as well as generating some new options for in-situ measurements and overall system design.

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The constitutive behavior of mechanical joints is largely responsible for the energy dissipation and vibration damping in weapons systems. For reasons arising from the dramatically different length scales associated with those dissipative mechanisms and the length scales characteristic of the overall structure, this physics cannot be captured adequately through direct simulation of the contact mechanics within a structural dynamics analysis. The only practical method for accommodating the nonlinear nature of joint mechanisms within structural dynamic analysis is through constitutive models employing degrees of freedom natural to the scale of structural dynamics. This document discusses a road-map for developing such constitutive models.

A series of potassium aryloxides (KOAr) were isolated from the reaction of a potassium amide (KN(SiMe3)2) and the desired substituted phenoxide (oMP, 2-methyl; oPP, 2-iso-propyl; oBP, 2-tert-butyl; DMP, 2,6-di-methyl; DIP, 2,6-di-iso-propyl; DBP, 2,6-di-tert-butyl) in tetrahydrofuran (THF) or pyridine (py) as the following: {l_brace}([K(4-oMP)(THF)][K(3-oMP)])5{r_brace} (1), {l_brace}[K6(6,3-oMP)4(6,4-oMP)2(py)4] {center_dot} [K6(6,3-oMP)6(6-py)4]{r_brace} (2), [K(3-oPP)]4(THF)3 (3), {l_brace}K4(6,3-oPP)2(3-oPP)2(py)3{r_brace} (4), [K(3-oBP)(THF)]6 (5), {l_brace}K6(6,3-oBP)2(3-oBP)4(py)4{r_brace} (6), {l_brace}K3(6,3-DMP)2(-DMP)(THF){r_brace} (7), {l_brace}[K(6,-DMP)(py)]2{r_brace} (8), {l_brace}K(6,-DIP){r_brace} (9), {l_brace}K(6,-DBP){r_brace} (10). Further exploration of the aryl interactions led to the investigation of the diphenylethoxide (DPE) derivative which was isolated as [K(3-DPE)(THF)]4 (11) or [K(3-DPE)(py)]4 {center_dot} py2 (12) depending on the solvent used. In general, the less sterically demanding ligands (oMP, oPP, oBP, and DMP) were solvated polymeric species; however, increasing the steric bulk (DIP and DBP) led to unsolvated polymers and not discrete molecules. For most of this novel family of compounds, the K atoms were -bound to the aryl rings of the neighboring phenoxide derivatives to fill their coordination sites. The synthesis and characterization of these compounds are described in detail.

In this work, we investigated the controlled growth of nanocrystalline CdE (E = S, Se, and Te) via the pyrolysis of CdO and Cd(O2CCH3)2 precursors, at the specific Cd to E mole ratio of 0.67 to 1. The experimental results reveal that while the growth of CdS produces only a spherical morphology, CdSe and CdTe exhibit rod-like and tetrapod-like morphologies of temporally controllable aspect ratios. Over a 7200 s time period, CdS spheres grew from 4 nm (15 s aliquot) to 5 nm, CdSe nanorods grew from dimensions of 10.8 x 3.6 nm (15 s aliquot) to 25.7 x 11.2 nm, and CdTe tetrapods with arms 15 x 3.5 nm (15 s aliquot) grew into a polydisperse mixture of spheres, rods, and tetrapods on the order of 20 to 80 nm. Interestingly, long tracks of self-assembled CdSe nanorods (3.5 x 24 nm) of over one micron in length were observed. The temporal growth for each nanocrystalline material was monitored by UV-VIS spectroscopy, transmission electron spectroscopy, and further characterized by powder X-ray diffraction. This study has elucidated the vastly different morphologies available for CdS, CdSe, and CdTe during the first 7200 s after injection of the desired chalcogenide.

We utilize near edge X-ray absorption fine structure spectroscopy (NEXASFS) to provide detailed chemical insight into two interfacial problems facing sub-100 nm patterning. First, chemically amplified photo-resists are sensitive to surface phenomenon, which causes deviations in the pattern profile near the interface. Striking examples include T-topping, closure, footing, and undercutting. NEXAFS was used to examine surface segregation of a photo-acid generator at the resist/air interface and to illustrate that the surface extent of deprotection in a model resist film can be different than the bulk extent of deprotection. Second, line edge roughness becomes increasingly critical with shrinking patterns, and may be intimately related to the line edge deprotection profile. A NEXAFS technique to surface depth profile for compositional gradients is described with the potential to provide chemical information about the resist line edge.

High-purity aluminum samples were implanted with 35 keV Cl{sup +} then polarized in both Cl{sup -}-containing and Cl{sup -}-free electrolytes in order to ascertain corrosion behavior as a function of Cl{sup -} content in the oxide. Implant fluence between 5 x 10{sup 15} and 2 x 10{sup 16} Cl{sup +} cm{sup -2} resulted in little or no localized attack. Implant fluences of 3 x 10{sup 16} and 5 x 10{sup 16} Cl{sup +} cm{sup -2} resulted in significant pitting in a Cl{sup -}-free electrolyte with the severity scaling as a function of implant fluence. The low variability in the pitting behavior of the 5 x 10{sup 16} Cl{sup +} cm{sup -2} sample suggests that this implant dosage results in a critical Cl{sup -} concentration in the oxide for pit nucleation. The passive current density (i{sub pass}) decreased with increasing implant fluence. A space-charge effect is proposed to account for this phenomenon, although effects from defect interactions and possible oxide thickening are still under consideration.

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Our research explores the feasibility of using communication theory, error control (EC) coding theory specifically, for quantitatively modeling the protein translation initiation mechanism. The messenger RNA (mRNA) of Escherichia coli K-12 is modeled as a noisy (errored), encoded signal and the ribosome as a minimum Hamming distance decoder, where the 16S ribosomal RNA (rRNA) serves as a template for generating a set of valid codewords (the codebook). We tested the E. coli based coding models on 5' untranslated leader sequences of prokaryotic organisms of varying taxonomical relation to E. coli including: Salmonella typhimurium LT2, Bacillus subtilis, and Staphylococcus aureus Mu50. The model identified regions on the 5' untranslated leader where the minimum Hamming distance values of translated mRNA sub-sequences and non-translated genomic sequences differ the most. These regions correspond to the Shine-Dalgarno domain and the non-random domain. Applying the EC coding-based models to B. subtilis, and S. aureus Mu50 yielded results similar to those for E. coli K-12. Contrary to our expectations, the behavior of S. typhimurium LT2, the more taxonomically related to E. coli, resembled that of the non-translated sequence group.

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This work describes the design, simulation, fabrication and characterization of a microfabricated thermal conductivity detector to be used as an extension of the {micro}ChemLab{trademark}. The device geometry was optimized by simulating the heat transfer in the device, utilizing a boundary element algorithm. In particular it is shown that within microfabrication constraints, a micro-TCD optimized for sensitivity can be readily calculated. Two flow patterns were proposed and were subsequently fabricated into nine-promising geometries. The microfabricated detector consists of a slender metal film, supported by a suspended thin dielectric film over a pyramidal or trapezoidal silicon channel. It was demonstrated that the perpendicular flow, where the gas directly impinges on the membrane, creates a device that is 3 times more sensitive than the parallel flow, where the gas passed over the membrane. This resulted in validation of the functionality of a microfabricated TCD as a trace-level detector, utilizing low power. the detector shows a consistent linear response to concentration and they are easily able to detect 100-ppm levels of CO in He. Comparison of noise levels for this analysis indicates that sub part per million (ppm) levels are achievable with the selection of the right set of conditions for the detector to operate under. This detector was originally proposed as part of a high-speed detection system for the petrochemical gas industry. This system was to be utilized as a process monitor to detect reactor ''upset'' conditions before a run away condition could occur (faster than current full-scale monitoring systems were able to achieve). Further outlining of requirements indicated that the detection levels likely achievable with a TCD detector would not be sufficient to meet the process condition needs. Therefore the designed and fabricated detector was integrated into a detection system to showcase some technologies that could further the development of components for the current gas phase {micro}ChemLab as well as future modifications for process monitoring work such as: pressurized connections, gas sampling procedures, and packed columns. Component integration of a microfabricated planar pre-concentrator, gas-chromatograph column and TCD in the separation/detection of hydrocarbons, such as benzene, toluene and xylene (BTX) was also demonstrated with this system.

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Radiation generated within a 10-mm-long foam-target DH (dynamic hohlraum) is used for high-temperature (<200 eV) radiation-flow and inertial-confinement-fusion studies [Sanford et al., Phys. Plasmas 9, 3573 (2002)]. The length of this DH is varied from 5 to 20 mm, keeping the mass/unit length constant in an effort to study the scaling of axial radiation power with length, and better understand its production. Measurements show a greater variation in this power with length than would be expected from simple arguments [Slutz et al., Phys. Plasmas 8, 1673 (2001)]. Maximum axial power of {approx}10 TW is produced with a length of {approx}7.5 mm, similar to the typical power for the baseline 10 mm DH. The decreasing axial power (at a rate of {approx}0.65 TW per mm at longer lengths) is bounded by radiation-magnetohydrodynamic simulations [Peterson et al., Phys. Plasmas 6, 2178 (1999)] that include the development of the magnetic Rayleigh-Taylor instability in the r-z plane. The dramatic drop in axial power below 7.5 mm, by contrast, was unanticipated. This decrease suggests the presence of differing mechanisms for limiting power at short and long lengths.

Automatic or assisted target recognition (ATR) is an important application of synthetic aperture radar (SAR). Most ATR researchers have focused on the core problem of declaration-that is, detection and identification of targets of interest within a SAR image. For ATR declarations to be of maximum value to an image analyst, however, it is essential that each declaration be accompanied by a reliability estimate or confidence metric. Unfortunately, the need for a clear and informative confidence metric for ATR has generally been overlooked or ignored. We propose a framework and methodology for evaluating the confidence in an ATR system's declarations and competing target hypotheses. Our proposed confidence metric is intuitive, informative, and applicable to a broad class of ATRs. We demonstrate that seemingly similar ATRs may differ fundamentally in the ability-or inability-to identify targets with high confidence.