Publications

Abstract not provided.

This diffractive optical element (DOE) LDRD is divided into two tasks. In Task 1, we develop two new DOE technologies: (1) a broad wavelength band effective anti-reflection (AR) structure and (2) a design tool to encode dispersion and polarization information into a unique diffraction pattern. In Task 2, we model, design, and fabricate a subwavelength polarization splitter. The first technology is an anti-reflective (AR) layer that may be etched into the DOE surface. For many wavelengths of interest, transmissive silicon DOEs are ideal. However, a significant portion of light (30% from each surface) is lost due to Fresnel reflection. To address this issue, we investigate a subwavelength, surface relief structure that acts as an effective AR coating. The second DOE component technology in Task 1 is a design tool to determine the optimal DOE surface relief structure that can encode the light's degree of dispersion and polarization into a unique spatial pattern. Many signals of interest have unique spatial, temporal, spectral, and polarization signatures. The ability to disperse the signal into a unique diffraction pattern would result in improved signal detection sensitivity with a simultaneous reduction in false alarm. Task 2 of this LDRD project is to investigate the modeling, design, and fabrication of subwavelength birefringent devices for polarimetric spectral sensing and imaging applications. Polarimetric spectral sensing measures the spectrum of the light and polarization state of light at each wavelength simultaneously. The capability to obtain both polarization and spectral information can help develop target/object signature and identify the target/object for several applications in NP&MC and national security.

The fate of contaminants after a dispersal event is a major concern, and waterways may be particularly sensitive to such an incident. Contaminants could be introduced directly into a water system (municipal or general) or indirectly (Radiological Dispersal Device) from aerial dispersion, precipitation, or improper clean-up techniques that may wash contamination into storm water drains, sewer systems, rivers, lakes, and reservoirs. Most radiological, chemical, and biological contaminants have an affinity for sediments and organic matter in the water system. If contaminated soils enter waterways, a plume of contaminated sediments could be left behind, subject to remobilization during the next storm event. Or, contaminants could remain in place, thus damaging local ecosystems. Suitable planning and deployment of resources to manage such a scenario could considerably mitigate the severity of the event. First responses must be prearranged so that clean-up efforts do not increase dispersal and exacerbate the problem. Interactions between the sediment, contaminant, and water cycle are exceedingly complex and poorly understood. This research focused on the development of a risk-based model that predicts the fate of introduced contaminants in surface water systems. Achieving this goal requires integrating sediment transport with contaminant chemical reactions (sorption and desorption) and surface water hydrodynamics. Sandia leveraged its existing state-of-the-art capabilities in sediment transport measurement techniques, hydrochemistry, high performance computing, and performance assessment modeling in an effort to accomplish this task. In addition, the basis for the physical hydrodynamics is calculated with the EPA sponsored, public domain model, Environmental Fluid Dynamics Code (EFDC). The results of this effort will enable systems analysis and numerical simulation that allow the user to determine both short term and long-term consequences of contamination of waterways as well as to help formulate preventative and remedial strategies.

Abstract not provided.

Abstract not provided.

This report highlights the findings of an extensive review of the literature in the area of nanorobotics. The main goal of this midyear LDRD effort is to survey and identify accomplishments and advancements that have been made in this relatively new and emerging field. As a result, it may be determined what routes in the area of nanorobotics are scientifically plausible and technically useful so that the Intelligent Systems and Robotics Center can position itself to play a role in the future development of nanotechnology.

The gas-phase {mu}ChemLab{trademark} developed by Sandia can detect volatile organics and semi-volatiles organics via gas phase sampling . The goal of this three year Laboratory Directed Research and Development (LDRD) project was to adapt the components and concepts used by the {mu}ChemLab{trademark} system towards the analysis of water-borne chemicals of current concern. In essence, interfacing the gas-phase {mu}ChemLab{trademark} with water to bring the significant prior investment of Sandia and the advantages of microfabrication and portable analysis to a whole new world of important analytes. These include both chemical weapons agents and their hydrolysis products and disinfection by-products such as Trihalomethanes (THMs) and haloacetic acids (HAAs). THMs and HAAs are currently regulated by EPA due to health issues, yet water utilities do not have rapid on-site methods of detection that would allow them to adjust their processes quickly; protecting consumers, meeting water quality standards, and obeying regulations more easily and with greater confidence. This report documents the results, unique hardware and devices, and methods designed during the project toward the goal stated above. It also presents and discusses the portable field system to measure THMs developed in the course of this project.

Abstract not provided.

This work focuses on different methods to generate confidence regions for nonlinear parameter identification problems. Three methods for confidence region estimation are considered: a linear approximation method, an F-test method, and a Log-Likelihood method. Each of these methods are applied to three case studies. One case study is a problem with synthetic data, and the other two case studies identify hydraulic parameters in groundwater flow problems based on experimental well-test results. The confidence regions for each case study are analyzed and compared. Although the F-test and Log-Likelihood methods result in similar regions, there are differences between these regions and the regions generated by the linear approximation method for nonlinear problems. The differing results, capabilities, and drawbacks of all three methods are discussed.

The ability to integrate metal and semiconductor micro-systems to perform highly complex functions, such as RF-MEMS, will depend on developing freestanding metal structures that offer improved conductivity, reflectivity, and mechanical properties. Three issues have prevented the proliferation of these systems: (1) warpage of active components due to through-thickness stress gradients, (2) limited component lifetimes due to fatigue, and (3) low yield strength. To address these issues, we focus on developing and implementing techniques to enable the direct study of the stress and microstructural evolution during electrodeposition and mechanical loading. The study of stress during electrodeposition of metal thin films is being accomplished by integrating a multi-beam optical stress sensor into an electrodeposition chamber. By coupling the in-situ stress information with ex-situ microstructural analysis, a scientific understanding of the sources of stress during electrodeposition will be obtained. These results are providing a foundation upon which to develop a stress-gradient-free thin film directly applicable to the production of freestanding metal structures. The issues of fatigue and yield strength are being addressed by developing novel surface micromachined tensile and bend testers, by interferometry, and by TEM analysis. The MEMS tensile tester has a ''Bosch'' etched hole to allow for direct viewing of the microstructure in a TEM before, during, and after loading. This approach allows for the quantitative measurements of stress-strain relations while imaging dislocation motion, and determination of fracture nucleation in samples with well-known fatigue/strain histories. This technique facilitates the determination of the limits for classical deformation mechanisms and helps to formulate a new understanding of the mechanical response as the grain sizes are refined to a nanometer scale. Together, these studies will result in a science-based infrastructure to enhance the production of integrated metal--semiconductor systems and will directly impact RF MEMS and LIGA technologies at Sandia.

Abstract not provided.

Outbreaks of infectious agricultural diseases, whether natural occurring or introduced intentionally, could have catastrophic impacts on the U.S. economy. Examples of such agricultural pathogens include foot and mouth disease (FMD), avian influenza (AI), citrus canker, wheat and soy rust, etc. Current approaches to mitigate the spread of agricultural pathogens include quarantine, development of vaccines for animal diseases, and development of pathogen resistant crop strains in the case of plant diseases. None of these approaches is rapid, and none address the potential persistence of the pathogen in the environment, which could lead to further spread of the agent and damage after quarantine is lifted. Pathogen spread in agricultural environments commonly occurs via transfer on agricultural equipment (transportation trailers, tractors, trucks, combines, etc.), having components made from a broad range of materials (galvanized and painted steel, rubber tires, glass and Plexiglas shields, etc), and under conditions of heavy organic load (mud, soil, feces, litter, etc). A key element of stemming the spread of an outbreak is to ensure complete inactivation of the pathogens in the agricultural environment and on the equipment used in those environments. Through the combination of enhanced agricultural pathogen decontamination chemistry and a validated inactivation verification methodology, important technologies for incorporation as components of a robust response capability will be enabled. Because of the potentially devastating economic impact that could result from the spread of infectious agricultural diseases, the proposed capability components will promote critical infrastructure protection and greater border and food supply security. We investigated and developed agricultural pathogen decontamination technologies to reduce the threat of infectious-agent spread, and thus enhance agricultural biosecurity. Specifically, enhanced detergency versions of the patented Sandia decontamination chemistry were developed and tested against a few surrogate pathogens under conditions of relatively heavy organic load. Tests were conducted on surfaces commonly found in agricultural environments. Wide spectrum decontamination efficacy, low corrosivity, and biodegradability issues were addressed in developing an enhanced detergency formulation. A method for rapid assessment of loss of pathogenic activity (inactivation) was also assessed. This enhanced technology will enable rapid assessment of contamination following an intentional event, and will also be extremely useful in routine assessment of agricultural environments. The primary effort during the second year was progress towards a demonstration of both decontamination and viral inactivation technologies of Foot and Mouth virus (FMDv) using the modified SNL chemistry developed through this project. Lab studies using a surrogate virus (bovine enterovirus) were conducted using DF200, modified DF200 chemistry, and decontaminants currently recommended for use in heavily loaded organic, agricultural environments (VirkonS, 10% bleach, sodium hydroxide and citric acid). Tests using actual FMD virus will be performed at the Department of Homeland Security's Plum Island facilities in the fall of 2005. Success and the insight gained from this project will lead to enhanced response capability, which will benefit agencies such as USDA, DHS, DOD, and the agricultural industry.

The goal of our paper is to compare a number of algorithms for computing a large number of eigenvectors of the generalized symmetric eigenvalue problem arising from a modal analysis of elastic structures. The shift-invert Lanczos algorithm has emerged as the workhorse for the solution of this generalized eigenvalue problem; however, a sparse direct factorization is required for the resulting set of linear equations. Instead, our paper considers the use of preconditioned iterative methods. We present a brief review of available preconditioned eigensolvers followed by a numerical comparison on three problems using a scalable algebraic multigrid (AMG) preconditioner. Copyright © 2005 John Wiley & Sons, Ltd.

The spreading of liquid nanodroplets of different initial radii R0 is studied using molecular dynamics simulation. Results for two distinct systems, Pb on Cu(111), which is nonwetting, and a coarse-grained polymer model, which wets the surface, are presented for Pb droplets ranging in size from ∼55000 to 220000 atoms and polymer droplets ranging in size from ∼200000 to 780000 monomers. In both cases, a precursor foot precedes the spreading of the main droplet. This precursor foot spreads as rf2(t)=2Defft with an effective diffusion constant that exhibits a droplet-size dependence Deff∼R01/2. The radius of the main droplet rb(t)∼R04/5 is in agreement with kinetic models for the cylindrical geometry studied. © 2005 The American Physical Society.

The constitutive behavior of mechanical joints is largely responsible for the energy dissipation and vibration damping in built-up structures. 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 through direct numerical simulation (DNS) of the contact mechanics within a structural dynamics analysis. The difficulties of DNS manifest themselves either in terms of Courant times that are orders of magnitude smaller than that necessary for structural dynamics analysis or as intractable conditioning problems. 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. In this way, development of constitutive models for joint response is a prerequisite for a predictive structural dynamics capability. A four-parameter model, built on a framework developed by Iwan, is used to reproduce the qualitative and quantitative properties of lap-type joints. In the development presented here, the parameters are deduced by matching joint stiffness under low load, the force necessary to initiate macroslip, and experimental values of energy dissipation in harmonic loading. All the necessary experiments can be performed on real hardware or virtually via fine-resolution, nonlinear quasistatic finite elements. The resulting constitutive model can then be used to predict the force/displacement results from arbitrary load histories. copyright © 2005 by ASME.

We use two Pockels cells in series to achieve simple temporal pulse shaping. This technique is used in our optical parametric chirp pulse amplification (OPCPA) system to optimize the temporal shape of the pump pulse. It also offers a low cost alternative to arbitrary waveform generators. © 2005 Society of Photo-Optical Instrumentation Engineers.

ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 5.0, the latest version of ITS, contains (1) improvements to the ITS 3.0 continuous-energy codes, (2) multigroup codes with adjoint transport capabilities, (3) parallel implementations of all ITS codes, (4) a general purpose geometry engine for linking with CAD or other geometry formats, and (5) the Cholla facet geometry library. Moreover, the general user friendliness of the software has been enhanced through increased internal error checking and improved code portability.

Two mitigation strategies including the use of corrosion resistant alloys (CRA) for the tubing and the application of a corrosion inhibitor and anti-fouling package in the water were used in the laboratory simulation of corrosion in large oil coolers at US Strategic Petroleum Reserve. A closed-loop, recirculating system was designed and constructed. The corrosion sensors were monitored over time using a commercially available linear polarization resistance (LPR) meter. The ERW steel exhibited significant localized attack along the entire weld root, in addition to pitting along the rest of the surface, as observed on the seamless tubing.

Abstract not provided.

Sandia National Laboratories, CA proposed a sensor concept to detect emissions from open-burning/open-detonation (OB/OD) events. The system would serve two purposes: (1) Provide data to demilitarization operations about process efficiency, allowing process optimization for cleaner emissions and higher efficiency. (2) Provide data to regulators and neighboring communities about materials dispersing into the environment by OB/OD operations. The proposed sensor system uses instrument control hardware and data visualization software developed at Sandia National Laboratories to link together an array of sensors to monitor emissions from OB/OD events. The suite of sensors would consist of various physical and chemical detectors mounted on stationary or mobile platforms. The individual sensors would be wirelessly linked to one another and controlled through a central command center. Real-time data collection from the sensors, combined with integrated visualization of the data at the command center, would allow for feedback to the sensors to alter operational conditions to adjust for changing needs (i.e., moving plume position, increased spatial resolution, increased sensitivity). This report presents a systems study of the problem of implementing a sensor system for monitoring OB/OD emissions. The goal of this study was to gain a fuller understanding of the political, economic, and technical issues for developing and fielding this technology.

The increasing demand for natural gas in the United States could significantly increase the number and frequency of marine LNG (liquefied natural gas) imports. Although many studies have been conducted to assess the consequences and risks of potential LNG spills, the increasing importance of LNG imports suggests that consistent methods and approaches be identified and implemented to help ensure protection of public safety and property from a potential LNG spill. For that reason, the U.S. Department of Energy (DOE), Office of Fossil Energy, requested that Sandia National Laboratories (Sandia) develop guidance on a risk-based analysis approach to assess and quantify potential threats to an LNG ship, the potential hazards and consequences of a large spill from an LNG ship, and review prevention and mitigation strategies that could be implemented to reduce both the potential and the risks of an LNG spill over water. Specifically, DOE requested: • An in-depth literature search of the experimental and technical studies associated with evaluating the safety and hazards of an LNG spill from an LNG ship • A detailed review of four recent spill modeling studies related to the safety implications of a large-scale LNG spill over water • Evaluation of the potential for breaching an LNG ship cargo tank, both accidentally and intentionally, identification of the potential for such breaches and the potential size of an LNG spill of each breach scenario, and an assessment of the potential range of hazards involed in an LNG spill • Development of guidance on the use of modern, performance-based, risk management approaches to analyze and manage the threats, hazards, and consequences of an LNG spill over water to reduce the overall risks of an LNG spill to level that are protective of public safety and property. This paper provides an overview of the conclusions and recommendation from that study. © 2005 American Institute of Chemical Engineers.

Constructor is software for the Microsoft Windows microcomputer environment that facilitates the collation of empirical information and expert judgment for the specification of probability distributions, probability boxes, random sets or Dempster-Shafer structures from data, qualitative shape information, constraints on moments, order statistics, densities, and coverage probabilities about uncertain unidimensional quantities. These quantities may be real-valued, integer-valued or logical values.

A joint experimental and computational study was performed to evaluate the capability of the Sandia Fire Code VULCAN to predict thermocouple response temperature. Thermocouple temperatures recorded by an Inconel-sheathed thermocouple inserted into a near-adiabatic flat flame were predicted by companion VULCAN simulations. The predicted thermocouple temperatures were within 6% of the measured values, with the error primarily attributable to uncertainty in Inconel 600 emissivity and axial conduction losses along the length of the thermocouple assembly. Hence, it is recommended that future thermocouple models (for Inconel-sheathed designs) include a correction for axial conduction. Given the remarkable agreement between experiment and simulation, it is recommended that the analysis be repeated for thermocouples in flames with pollutants such as soot.

Several nuclear weapons programs have or are pursuing the implementation of multi-unit operations for tasks such as disassembly and inspection, and rebuild. A multi-unit operation is interpreted to mean the execution of nuclear explosive operating procedures in a single facility by two separate teams of technicians. The institution of a multi-unit operations program requires careful consideration of the tools, resources, and environment provided to the technicians carrying out the work. Therefore, a systematic approach is necessary to produce safe, secure, and reliable processes. In order to facilitate development of a more comprehensive multi-unit operations program, the current work details categorized issues that should be addressed prior to the implementation of multi-unit operations in a given weapons program. The issues have been organized into the following categories: local organizational conditions, work process flow/material handling/workplace configuration, ambient environmental conditions, documented safety analysis, and training.

Sandia National Laboratories, New Mexico (SNL/NM) is a government-owned, contractor-operated facility owned by the U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA) and managed by the Sandia Site Office (SSO), Albuquerque, New Mexico. Sandia Corporation, a wholly-owned subsidiary of Lockheed Martin Corporation, operates SNL/NM. This annual report summarizes data and the compliance status of Sandia Corporation's environmental protection and monitoring programs through December 31, 2004. Major environmental programs include air quality, water quality, groundwater protection, terrestrial surveillance, waste management, pollution prevention (P2), environmental restoration (ER), oil and chemical spill prevention, and the National Environmental Policy Act (NEPA). Environmental monitoring and surveillance programs are required by DOE Order 450.1, Environmental Protection Program (DOE 2005) and DOE Order 231.1A, Environment, Safety, and Health Reporting (DOE 2004a). (DOE 2004a).