Incorporating results from a previously developed finite element model, an uncertainty and parameter sensitivity analysis was conducted using preliminary site-specific data from Horonobe, Japan (data available from five boreholes as of 2003). Latin Hypercube Sampling was used to draw random parameter values from the site-specific measured, or approximated, physicochemical uncertainty distributions. Using pathlengths and groundwater velocities extracted from the three-dimensional, finite element flow and particle tracking model, breakthrough curves for multiple realizations were calculated with the semi-analytical, one-dimensional, multirate transport code, STAMMT-L. A stepwise linear regression analysis using the 5, 50, and 95% breakthrough times as the dependent variables and LHS sampled site physicochemical parameters as the independent variables was used to perform a sensitivity analysis. Results indicate that the distribution coefficients and hydraulic conductivities are the parameters responsible for most of the variation among simulated breakthrough times. This suggests that researchers and data collectors at the Horonobe site should focus on accurately assessing these parameters and quantifying their uncertainty. Because the Horonobe Underground Research Laboratory is in an early phase of its development, this work should be considered as a first step toward an integration of uncertainty and sensitivity analyses with decision analysis.
We address the electromagnetic induction problem for fully 3D geologic media and present a solution to the governing Maxwell equations based on a power series expansion. The coefficients in the series are computed using the adjoint method assuming an underlying homogeneous reference model. These solutions are available analytically for point dipole source terms and lead to rapid calculation of the expansion coefficients. First order solutions are presented for a model study in petroleum geophysics composed of a multi-component induction sonde proximal to a fault within a compartmentalized hydrocarbon reservoir.
The US Department of Energy requires a periodic 'self assessment' of Sandia's Microsystems Program. An external panel review of this program is held approximately every 18 months, and the report from the external review panel serves as the basis for the DOE 'self assessment.' The review for this fiscal year was held on September 30-October 1, 2002 at Sandia National Laboratories, Albuquerque, NM. The panel was comprised of experts in the fields of microelectronics, photonics and microsystems from universities, industry and other Government agencies. A complete list of the panel members is shown as Appendix A to the attached report. The review assesses four areas: relevance to national needs and agency mission; quality of science technology and engineering; performance in the operation of a major facility; and program performance management and planning. Relevance to national needs and agency mission was rated as 'outstanding.' The quality of science, technology, and engineering was rated as 'outstanding.' Operation of a major facility was noted as 'outstanding,' while the category of program performance, management, and planning was rated as 'outstanding.' Sandia's Microsystems Program received an overall rating of 'outstanding' [the highest possible rating]. The attached report was prepared by the panel in a format requested by Sandia to conform with the performance criteria for the DOE self assessment.
A comprehensive evaluation and experimental optimization of the FireFly{trademark} 600 off-grid photovoltaic system manufactured by Energia Total, Ltd. was conducted at Sandia National Laboratories in May and June of 2001. This evaluation was conducted at the request of the manufacturer and addressed performance of individual system components, overall system functionality and performance, safety concerns, and compliance with applicable codes and standards. A primary goal of the effort was to identify areas for improvement in performance, reliability, and safety. New system test procedures were developed during the effort.
The SNL/NM CY2002 SWEIS Annual Review discusses changes in facilities and facility operations that have occurred in selected and notable facilities since source data were collected for the SNL/NM SWEIS (DOE/EIS-0281). The following information is presented: {sm_bullet} An updated overview of SNL/NM selected and notable facilities and infrastructure capabilities. {sm_bullet} An overview of SNL/NM environment, safety, and health programs, including summaries of the purpose, operations, activities, hazards, and hazard controls at relevant facilities and risk management methods for SNL/NM. {sm_bullet} Updated base year activities data, together with related inventories, material consumption, emissions, waste, and resource consumption. {sm_bullet} Appendices summarizing activities and related hazards at SNL/NM individual special, general, and highbay laboratories, and chemical purchases.
This report is based on the Statement of Work (SOW) describing the various requirements for delivering 3 new supercomputer system to Sandia National Laboratories (Sandia) as part of the Department of Energy's (DOE) Accelerated Strategic Computing Initiative (ASCI) program. This system is named Red Storm and will be a distributed memory, massively parallel processor (MPP) machine built primarily out of commodity parts. The requirements presented here distill extensive architectural and design experience accumulated over a decade and a half of research, development and production operation of similar machines at Sandia. Red Storm will have an unusually high bandwidth, low latency interconnect, specially designed hardware and software reliability features, a light weight kernel compute node operating system and the ability to rapidly switch major sections of the machine between classified and unclassified computing environments. Particular attention has been paid to architectural balance in the design of Red Storm, and it is therefore expected to achieve an atypically high fraction of its peak speed of 41 TeraOPS on real scientific computing applications. In addition, Red Storm is designed to be upgradeable to many times this initial peak capability while still retaining appropriate balance in key design dimensions. Installation of the Red Storm computer system at Sandia's New Mexico site is planned for 2004, and it is expected that the system will be operated for a minimum of five years following installation.
We present our research results on membrane pores. The study was divided into two primary sections. The first involved the formation of protein pores in free-standing lipid bilayer membranes. The second involved the fabrication via surface micromachining techniques and subsequent testing of solid-state nanopores using the same characterization apparatus and procedures as that used for the protein pores. We were successful in our ability to form leak-free lipid bilayers, to detect the formation of single protein pores, and to monitor the translocation dynamics of individual homogeneous 100 base strands of DNA. Differences in translocation dynamics were observed when the base was switched from adenine to cytosine. The solid state pores (2-5 nm estimated) were fabricated in thin silicon nitride membranes. Testing of the solid sate pores indicated comparable currents for the same size protein pore with excellent noise and sensitivity. However, there were no conditions under which DNA translocation was observed. After considerable effort, we reached the unproven conclusion that multiple (<1 nm) pores were formed in the nitride membrane, thus explaining both the current sensitivity and the lack of DNA translocation blockages.
The Sandia Petaflops Planner is a tool for projecting the design and performance of parallel supercomputers into the future. The mathematical basis of these projections is the International Technology Roadmap for Semiconductors (ITRS, or a detailed version of Moore's Law) and DOE balance factors for supercomputer procurements. The planner is capable of various forms of scenario analysis, cost estimation, and technology analysis. The tool is described along with technology conclusions regarding PFLOPS-level supercomputers in the upcoming decade.
This document presents a high-level description of the Xyce {trademark} Parallel Electronic Simulator Release and Distribution Management Process. The purpose of this process is to standardize the manner in which all Xyce software products progress toward release and how releases are made available to customers. Rigorous Release Management will assure that Xyce releases are created in such a way that the elements comprising the release are traceable and the release itself is reproducible. Distribution Management describes what is to be done with a Xyce release that is eligible for distribution.
Wireless networking is becoming a common element of industrial, corporate, and home networks. Commercial wireless network systems have become reliable, while the cost of these solutions has become more affordable than equivalent wired network solutions. The security risks of wireless systems are higher than wired and have not been studied in depth. This report starts to bring together information on wireless architectures and their connection to wired networks. We detail information contained on the many different views of a wireless network system. The method of using multiple views of a system to assist in the determination of vulnerabilities comes from the Information Design Assurance Red Team (IDART{trademark}) Methodology of system analysis developed at Sandia National Laboratories.
Using molecular dynamics simulations we examine the effective interactions between two like-charged rods as a function of angle and separation. In particular, we determine how the competing electrostatic repulsions and multivalent-ion-induced attractions depend upon concentrations of simple and multivalent salts. We find that with increasing multivalent salt, the stable configuration of two rods evolves from isolated rods to aggregated perpendicular rods to aggregated parallel rods; at sufficiently high concentration, additional multivalent salt reduces the attraction. Monovalent salt enhances the attraction near the onset of aggregation and reduces it at a higher concentration of multivalent salt.
Sandia is currently developing a lead-zirconate-titanate ceramic 95/5-2Nb (or PNZT) from chemically prepared ('chem-prep') precursor powders. Previous PNZT ceramic was fabricated from the powders prepared using a 'mixed-oxide' process. The specimens of unpoled PNZT ceramic from batch HF803 were tested under hydrostatic, uniaxial, and constant stress difference loading conditions within the temperature range of -55 to 75 C and pressures to 500 MPa. The objective of this experimental study was to obtain mechanical properties and phase relationships so that the grain-scale modeling effort can develop and test its models and codes using realistic parameters. The stress-strain behavior of 'chem-prep' PNZT under different loading paths was found to be similar to that of 'mixed-oxide' PNZT. The phase transformation from ferroelectric to antiferroelectric occurs in unpoled ceramic with abrupt increase in volumetric strain of about 0.7 % when the maximum compressive stress, regardless of loading paths, equals the hydrostatic pressure at which the transformation otherwise takes place. The stress-volumetric strain relationship of the ceramic undergoing a phase transformation was analyzed quantitatively using a linear regression analysis. The pressure (P{sub T1}{sup H}) required for the onset of phase transformation with respect to temperature is represented by the best-fit line, P{sub T1}{sup H} (MPa) = 227 + 0.76 T (C). We also confirmed that increasing shear stress lowers the mean stress and the volumetric strain required to trigger phase transformation. At the lower bound (-55 C) of the tested temperature range, the phase transformation is permanent and irreversible. However, at the upper bound (75 C), the phase transformation is completely reversible as the stress causing phase transformation is removed.
Of special promise for providing dynamic mesoscale response data is the line-imaging VISAR, an instrument for providing spatially resolved velocity histories in dynamic experiments. We have prepared two line-imaging VISAR systems capable of spatial resolution in the 10-20 micron range, at the Z and STAR facilities. We have applied this instrument to selected experiments on a compressed gas gun, chosen to provide initial data for several problems of interest, including: (1) pore-collapse in copper (two variations: 70 micron diameter hole in single-crystal copper) and (2) response of a welded joint in dissimilar materials (Ta, Nb) to ramp loading relative to that of a compression joint. The instrument is capable of resolving details such as the volume and collapse history of a collapsing isolated pore.
The Computational Plant or Cplant is a commodity-based distributed-memory supercomputer under development at Sandia National Laboratories. Distributed-memory supercomputers run many parallel programs simultaneously. Users submit their programs to a job queue. When a job is scheduled to run, it is assigned to a set of available processors. Job runtime depends not only on the number of processors but also on the particular set of processors assigned to it. Jobs should be allocated to localized clusters of processors to minimize communication costs and to avoid bandwidth contention caused by overlapping jobs. This report introduces new allocation strategies and performance metrics based on space-filling curves and one dimensional allocation strategies. These algorithms are general and simple. Preliminary simulations and Cplant experiments indicate that both space-filling curves and one-dimensional packing improve processor locality compared to the sorted free list strategy previously used on Cplant. These new allocation strategies are implemented in Release 2.0 of the Cplant System Software that was phased into the Cplant systems at Sandia by May 2002. Experimental results then demonstrated that the average number of communication hops between the processors allocated to a job strongly correlates with the job's completion time. This report also gives processor-allocation algorithms for minimizing the average number of communication hops between the assigned processors for grid architectures. The associated clustering problem is as follows: Given n points in {Re}d, find k points that minimize their average pairwise L{sub 1} distance. Exact and approximate algorithms are given for these optimization problems. One of these algorithms has been implemented on Cplant and will be included in Cplant System Software, Version 2.1, to be released. In more preliminary work, we suggest improvements to the scheduler separate from the allocator.
Our overall goal is to understand and develop a novel light-driven approach to the controlled growth of unique metal and semiconductor nanostructures and nanomaterials. In this photochemical process, bio-inspired porphyrin-based photocatalysts reduce metal salts in aqueous solutions at ambient temperatures to provide metal nucleation and growth centers. Photocatalyst molecules are pre-positioned at the nanoscale to control the location and morphology of the metal nanostructures grown. Self-assembly, chemical confinement, and molecular templating are some of the methods used for nanoscale positioning of the photocatalyst molecules. When exposed to light, the photocatalyst molecule repeatedly reduces metal ions from solution, leading to deposition and the synthesis of the new nanostructures and nanostructured materials. Studies of the photocatalytic growth process and the resulting nanostructures address a number of fundamental biological, chemical, and environmental issues and draw on the combined nanoscience characterization and multi-scale simulation capabilities of the new DOE Center for Integrated Nanotechnologies, the University of New Mexico, and Sandia National Laboratories. Our main goals are to elucidate the processes involved in the photocatalytic growth of metal nanomaterials and provide the scientific basis for controlled synthesis. The nanomaterials resulting from these studies have applications in nanoelectronics, photonics, sensors, catalysis, and micromechanical systems. The proposed nanoscience concentrates on three thematic research areas: (1) the creation of nanoscale structures for realizing novel phenomena and quantum control, (2) understanding nanoscale processes in the environment, and (3) the development and use of multi-scale, multi-phenomena theory and simulation. Our goals for FY03 have been to understand the role of photocatalysis in the synthesis of dendritic platinum nanostructures grown from aqueous surfactant solutions under ambient conditions. The research is expected to lead to highly nanoengineered materials for catalysis mediated by platinum, palladium, and potentially other catalytically important metals. The nanostructures made also have potential applications in nanoelectronics, nanophotonics, and nanomagnetic systems. We also expect to develop a fundamental understanding of the uses and limitations of biomimetic photocatalysis as a means of producing metal and semiconductor nanostructures and nanomaterials. The work has already led to a relationship with InfraSUR LLC, a small business that is developing our photocatalytic metal reduction processes for environmental remediation. This work also contributes to science education at a predominantly Hispanic and Native American university.
The velocity of short duration high-amplitude shock waves and high-speed motion created by sources such as explosives, high energy plasmas and other rapid-acceleration devices are difficult to measure due to their fast reaction times. One measurement tool frequently used is VISAR (Velocity Interferometer System for Any Reflector). VISAR is an optical-based system that utilizes Doppler interferometry techniques to measure the complete time-history of the motion of a surface. This technique is gaining worldwide acceptance as the tool of choice for measurement of shock phenomena. However, one limitation of the single point VISAR is that it measures only one point on a surface. The new Multi Point VISAR remedies the single point VISAR's limitation by using multiple fiber optics and sensors to send and receive information. Upcoming programs that need analysis of large diameter flyers prompted the concept and design of a single cavity-multiple fiber optic Multi Point VISAR (MPV). Preliminary designs and the testing of a single cavity prototype in 1996 supported the theory of compact fiber optic bundle systems for development into the Multi Point VISAR. The new MPV was used to evaluate the performance of two components; a piezo-driven plane wave generating isolator, and a slim-loop ferroelectric (SFE)-type fireset.
Millions of sealed radioactive sources (SRSs) are being used for a wide variety of beneficial purposes throughout the world. Security experts are now concerned that these beneficial SRSs could be used in a radiological dispersion device to terrorize and disrupt society. The greatest safety and security threat is from those highly radioactive Category 1 and 2 SRSs. Without adequate controls, it may be relatively easy to legally purchase a Category 1 or 2 SRS on the international market under false pretenses. Additionally, during transfer, SRSs are particularly susceptible to theft since the sources are in a shielded and mobile configuration, transportation routes are predictable, and shipments may not be adequately guarded. To determine if government controls on SRS are adequate, this study was commissioned to review the current SRS import and export controls of six countries. Canada, the Russian Federation, and South Africa were selected as the exporting countries, and Egypt, the Philippines, and the United States were selected as importing countries. A detailed review of the controls in each country is presented. The authors found that Canada and Russia are major exporters, and are exporting highly radioactive SRSs without first determining if the recipient is authorized by the receiving country to own and use the SRSs. Available evidence was used to estimate that on average there are tens to possibly hundreds of intercountry transfers of highly radioactive SRSs each day. Based on these and other findings, this reports recommends stronger controls on the export and import of highly radioactive SRSs.
The PANDA code is used to construct tabular equations of state (EOS) for four metals-- beryllium, nickel, tungsten and gold. Each EOS includes melting, vaporization, and thermal electronic excitation. Separate EOS tables are constructed for the solid and fluid phases, and the PANDA phase transition model is used to construct a multiphase EOS table for each metal. These new EOS tables are available for use with the CTH code and other hydrocodes that access the CTH database.
The PANDA code is used to build tabular equations of state (EOS) for titanium and the alloy Ti4Al6V. Each EOS includes solid-solid phase transitions, melting, vaporization, and thermal electronic excitation. Separate EOS tables are constructed for the solid and fluid phases, and the PANDA phase transition model is used to construct a single multiphase table. The model explains a number of interesting features seen in the Hugoniot data, including an anomalous increase in shock velocity, recently observed near 200 GPa in Ti6Al4V. These new EOS tables are available for use with the CTH code and other hydrocodes that access the CTH database.
This report summarizes the results of a three-year LDRD project on prognostics and health management. System failure over some future time interval (an alternative definition is the capability to predict the remaining useful life of a system). Prognostics are integrated with health monitoring (through inspections, sensors, etc.) to provide an overall PHM capability that optimizes maintenance actions and results in higher availability at a lower cost. Our goal in this research was to develop PHM tools that could be applied to a wide variety of equipment (repairable, non-repairable, manufacturing, weapons, battlefield equipment, etc.) and require minimal customization to move from one system to the next. Thus, our approach was to develop a toolkit of reusable software objects/components and architecture for their use. We have developed two software tools: an Evidence Engine and a Consequence Engine. The Evidence Engine integrates information from a variety of sources in order to take into account all the evidence that impacts a prognosis for system health. The Evidence Engine has the capability for feature extraction, trend detection, information fusion through Bayesian Belief Networks (BBN), and estimation of remaining useful life. The Consequence Engine involves algorithms to analyze the consequences of various maintenance actions. The Consequence Engine takes as input a maintenance and use schedule, spares information, and time-to-failure data on components, then generates maintenance and failure events, and evaluates performance measures such as equipment availability, mission capable rate, time to failure, and cost. This report summarizes the capabilities we have developed, describes the approach and architecture of the two engines, and provides examples of their use. 'Prognostics' refers to the capability to predict the probability of