Publications

An integrated microsystem to detect traces of chemical agents (pChemLab™) is being developed at Sandia for counter-terrorism and nonproliferation applications. This microsystem has two modes of operation: liquid and gas phase detection. For the gas phase detection. we are integrating these critical components: a preconcentrator for sample collection, a gas chromatographic (GC) separator, a chemically selective flexural plate wave (FPW) anay mass detector, and a latching valve onto a single chip. By fabricating these components onto a single integrated system (pChemLab™on a chip), the advantages of reduced dead volume, lower power consumption, and smaller physical size can be realized. In this paper, the development of a latching valve will be presented. The key design parameters for this latching valve are: a volumetric flow rate of 1 mL/min, a maximum hold-off pressure of 40 kPa (6 psi), a relatively low power, and a fast response time. These requirements have led to the design of a magnetically actuated latching relay diaphragm valve. Magnetic actuation is chosen because it can achieve sufficient force to effectively seal against back pressure and its power consumption is relatively low. The actuation time is rapid, and valve can latch in either an open or closed state. A corrugated parylene membrane is used to separate the working fluid from internal components of the valve. Corrugations in the parylene ensure that the diaphragm presents minimum resistance to the actuator for a relativley large deflection. Two different designs and their performance of the magnetic actuation have been evaluated. The first uses a linear magnetic drive mechanism, and the second uses a relay mechanism. Preliminary results of the valve performance indicates that the required driving voltage is about 10 volts, the measured flow rate is about 50 mL/min, and it can hold off pressure of about 5 psi (34 kPa). Latest modifications of the design show excellent performance improvements.

In the ℓ-phylogeny problem, one wishes to construct an evolutionary tree for a set of species represented by characters, in which each state of each character induces no more than ℓ connected components. We consider the fixed-topology version of this problem for fixed-topologies of arbitrary degree. This version of the problem is known to be NP-comPlete for ℓ ≥ 3 even for degree-3 trees in which no state labels more than ℓ+ 1 leaves (and therefore there is a trivial ℓ + 1 phytogeny). We give a 2-approximation algorithm for all ℓ ≥ 3 for arbitrary input topologies and we give an optimal approximation algorithm that constructs a 4-phylogeny when a 3-phylogeny exists. Dynamic programming techniques, which are typically used in fixed-topology problems, cannot be applied to ℓ-phylogeny problems. Our 2-approximation algorithm is the first application of linear programming to approximation algorithms for phylogeny problems. We extend our results to a related problem in which characters are polymorphic.

Evaluation of battery and other energy-storage technologies for stationary uses is progressing rapidly toward application-specific testing. This testing uses computer-based data acquisition and control equipment, active electronic loads and power supplies, and customized software, to enable sophisticated test regimes which simulate actual use conditions. These simulated-use tests provide more accurate performance and life evaluations than simple constant resistance or current testing regimes. Several organizations are cooperating to develop simulated-use tests for utility-scale storage systems, especially battery energy-storage systems (BESSs). Some of the tests use stepped constant-power charge and discharge regimes to simulate conditions created by electric utility applications such as frequency regulation (FR) and spinning reserve (SR). Other test profiles under development simulate conditions for the energy-storage component of remote-area power supplies (RAPSs) which include renewable and/or fossil-fuelled generators. Various RAPS applications have unique sets of service conditions that require specialized test profiles. Almost all RAPS tests and many tests that represent other stationary applications need, however, to simulate significant time periods that storage devices operate at low-to-medium states-of-charge without full recharge. Consideration of these and similar issues in simulated-use test regimes is necessary to predict effectively the responses of the various types of batteries in specific stationary applications. This paper describes existing and evolving stationary applications for energy-storage technologies and test regimes which are designed to simulate them. The paper also discusses efforts to develop international testing standards.

SolarPACES (Solar Power and Chemical Energy Systems) is the International Energy Agency's solar thermal working group. To date, research and development activities sponsored by the group have helped reduce the cost of solar thermal systems to one-fifth that of the early pilot plants. This report presents the collective position of the SolarPACES community on solar thermal electricity-generating technology. Topics discussed include the current status of the technology and likely near-term improvements, the needs of target markets, and important technical and financial issues that must be resolved for success in near-term global markets.

Some time ago we presented evidence that, under nonhydrostatic loading, the F{sub R1} {r_arrow} A{sub O} polymorphic phase transformation in unpoled PZT 95/5-2Nb ceramic began when the maximum compressive stress equaled the hydrostatic pressure at which the transformation otherwise took place. More recently, we showed that this simple stress criterion did not apply to nonhydrostatically compressed, poled ceramic. However, unpoled ceramic is isotropic, whereas poled ceramic has a preferred crystallographic orientation and is mechanically anisotropic. If we further assume that the transformation depends not only on the magnitude of the compressive stress, but also its orientation relative to some feature(s) of PZT 95/5-2Nb's crystallography, then these disparate results can be qualitatively resolved. In this report, we first summarize the existing results for unpoled and poled ceramic. Using our orientation-dependent hypothesis and these results, we derive simple arithmetic expressions that accurately describe our previously-observed effects of nonhydrostatic stress on the transformation of unpoled ceramic. We then go on to test new predictions based on the orientation-dependent model. It has long been known that the transformation can be triggered in uniaxial compression: the model specifically requires a steadily increasing axial stress to drive the transformation of a randomly-oriented polycrystal to completion. We show that when the stress is held constant during uniaxial compression experiments, the transformation stops, supporting our hypothesis. We close with a discussion of implications of our model, and ways to test it using poled ceramic.

A computer code has been developed to solve the linear Boltzmann transport equation on an unstructured mesh of triangles, from a Pro/E model. An arbitriwy arrangement of distinct material regions is allowed. Energy dependence is handled by solving over an arbitrary number of discrete energy groups. Angular de- pendence is treated by Legendre-polynomial expansion of the particle cross sections and a discrete ordinates treatment of the particle fluence. The resulting linear system is solved in parallel with a preconditioned conjugate-gradients method. The solution method is unique, in that the space-angle dependence is solved si- multaneously, eliminating the need for the usual inner iterations. Electron cross sections are obtained from a Goudsrnit-Saunderson modifed version of the CEPXS code. A one-dimensional version of the code has also been develop@ for testing and development purposes.

Small, reliable chemical sensors are needed for a wide range of applications, such as weapon state-of-health monitoring, nonproliferation activities, and manufacturing emission monitoring. Significant improvements in present surface acoustic wave sensors could be achieved by developing a flexural plate-wave (FPW) architecture, in which acoustic waves are excited in a thin sensor membrane. Further enhancement of device performance could be realized by integrating a piezoelectric thin film on top of the membrane. These new FPW-piezoelectric thin film devices would improve sensitivity, reduce size, enhance ruggedness and reduce the operating frequency so that the FPW devices would be compatible with standard digital microelectronics. Development of these piezoelectric thin film // FPW devices requires integration of (1) acoustic sensor technology, (2) silicon rnicromachining techniques to fabricate thin membranes, and (3) piezoelectric thin films. Two piezoelectric thin film technologies were emphasized in this study: Pb(Zr,Ti)O{sub 3} (PZT) and AlN. PZT thin films were of sufficient quality such that the first high frequency SAW measurements on PZT thin films were measured during the course of this study. Further, reasonable ferroelectric properties were obtained from PZT films deposited on Si surface micromachined FPW device membranes. Fundamental understanding of the effect of nanodimension interfacial layers on AlN thin film domain configurations and piezoelectric response was developed. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy under contract DE-AC04-94AL85000.

As part of the Laboratory-Directed Research and Development (LDRD) Program at Sandia National Laboratories, an investigation into the existence of enhanced vapor-phase diffusion (EVD) in porous media has been conducted. A thorough literature review was initially performed across multiple disciplines (soil science and engineering), and based on this review, the existence of EVD was found to be questionable. As a result, modeling and experiments were initiated to investigate the existence of EVD. In this LDRD, the first mechanistic model of EVD was developed which demonstrated the mechanisms responsible for EVD. The first direct measurements of EVD have also been conducted at multiple scales. Measurements have been made at the pore scale, in a two- dimensional network as represented by a fracture aperture, and in a porous medium. Significant enhancement of vapor-phase transport relative to Fickian diffusion was measured in all cases. The modeling and experimental results provide additional mechanisms for EVD beyond those presented by the generally accepted model of Philip and deVries (1957), which required a thermal gradient for EVD to exist. Modeling and experimental results show significant enhancement under isothermal conditions. Application of EVD to vapor transport in the near-surface vadose zone show a significant variation between no enhancement, the model of Philip and deVries, and the present results. Based on this information, the model of Philip and deVries may need to be modified, and additional studies are recommended.

This report documents a collection of papers on a family of uniform strain tetrahedral finite elements and their connection to different element types. Also included in the report are two papers which address the general problem of connecting dissimilar meshes in two and three dimensions. Much of the work presented here was motivated by the development of the tetrahedral element described in the report "A Suitable Low-Order, Eight-Node Tetrahedral Finite Element For Solids," by S. W. Key {ital et al.}, SAND98-0756, March 1998. Two basic issues addressed by the papers are: (1) the performance of alternative tetrahedral elements with uniform strain and enhanced uniform strain formulations, and (2) the proper connection of tetrahedral and other element types when two meshes are "tied" together to represent a single continuous domain.

Optical channeling or refractive guiding processes involving the nonlinear interaction of intense femtosecond optical pulses with matter in the self-focussing regime has created exciting opportunities for next-generation laser plasma-based x-ray sources and directed energy applications. This fundamentally new form of extended paraxial electromagnetic propagation in nonlinear dispersive media such as underdense plasma is attributed to the interplay between normal optical diffraction and intensity-dependent nonlinear focussing and refraction contributions in the dielectric response. Superposition of these mechanisms on the intrinsic index profile acts to confine the propagating energy in a dynamic self-guiding longitudinal waveguide structure which is stable for power transmission and robust compression. The laser-driven channels are hypothesized to support a degree of solitonic transport behavior, simultaneously stable in the space and time domains (group velocity dispersion balances self-phase modulation), and are believed to be self-compensating for diffraction and dispersion over many Rayleigh lengths in contrast with the defining characteristics of conventional diffractive imaging and beamforming. By combining concentrated power deposition with well-ordered spatial localization, this phenomena will also create new possibilities for production and regulation of physical interactions, including electron beams, enhanced material coupling, and self-modulated plasma wakefields, over extended gain distances with unprecedented energy densities. Harmonious combination of short-pulse x-ray production with plasma channeling resulting from a relativistic charge displacement nonlinearity mechanism in the terawatt regime (10{sup 18} W/cm{sup 2}) has been shown to generate high-field conditions conducive to efficient multi-kilovolt x-ray amplification and peak spectral brightness. Channeled optical propagation with intense short-pulse lasers is expected to impact several critical mission areas at Sandia including x-ray backlighting of pinch implosions, nondestructive radiographic imaging of aging weapons components, high-power electromagnetic pulse generation, particle acceleration, and remote sensing.

This effort studied the integration of innovative methods of key management crypto synchronization, and key agility while scaling encryption speed. Viability of these methods for encryption of ATM cell payloads at the SONET OC- 192 data rate (10 Gb/s), and for operation at OC-48 rates (2.5 Gb/s) was shown. An SNL-Developed pipelined DES design was adapted for the encryption of ATM cells. A proof-of-principle prototype circuit board containing 11 Electronically Programmable Logic Devices (each holding the equivalent of 100,000 gates) was designed, built, and used to prototype a high speed encryptor.

This study evaluated multiple, long-term environmental oil-contamination risk scenarios that could result from the potential leakage of UP to 1.5 million barrels of crude oil entombed in the Weeks Island SPR mine following site decommissioning and abandonment, and up to 100 years thereafter. This risk assessment also provides continuity with similar risk evaluations performed earlier and documented in the 1995 DOE Environmental Assessment for Decommissioning the Strategic Petroleum Reserve Weeks Island Facility (EA). This current study was requested by the DOE to help them determine if their previous Finding of No Significant Impact (FONSI), in the EA, is still valid or needs to be rescinded. Based on the calculated environmental risk results (in terms of clean-up and remediation expenses) presented in this risk assessment, including the calculated average likelihoods of oil release and potential oil-leakage volumes, none of the evaluated risk events would appear to satisfy the definition of significant environmental impact in National Environmental Policy Act (NEPA) terminology. The DOE may combine these current results with their earlier evaluations and interpretations in the 1995 EA in order to assess whether the existing FONSI is still accurate, acceptable, and valid. However, from a risk evaluation standpoint, the assessment of impacts appears to be the same whether only 10,000 to 30,000 barrels of crude oil (as considered in the 1995 EA), or up to 1.5 million barrels of oil (as considered herein) are abandoned in the Weeks Island SPR facility.

The theoretical background for the finite element computer program, MPSalsa Version 1.5, is presented in detail. MPSalsa is designed to solve laminar or turbulent low Mach number, two- or three-dimensional incompressible and variable density reacting fluid flows on massively parallel computers, using a Petrov-Galerkin finite element formulation. The code has the capability to solve coupled fluid flow (with auxiliary turbulence equations), heat transport, multicomponent species transport, and finite-rate chemical reactions, and to solve coupled multiple Poisson or advection-diffusion-reaction equations. The program employs the CHEMKIN library to provide a rigorous treatment of multicomponent ideal gas kinetics and transport. Chemical reactions occurring in the gas phase and on surfaces are treated by calls to CHEMKIN and SURFACE CHEMK3N, respectively. The code employs unstructured meshes, using the EXODUS II finite element database suite of programs for its input and output files. MPSalsa solves both transient and steady flows by using fully implicit time integration, an inexact Newton method and iterative solvers based on preconditioned Krylov methods as implemented in the Aztec. solver library.

The U.S. Department of Energy (DOE) has been developing a nuclear waste disposal facility, the Waste Isolation Pilot Plant (WIPP), located approximately 42 km east of Carlsbad, New Mexico. The WIPP is designed to demonstrate the safe disposal of transuranic wastes produced by the defense nuclear-weapons program. Performance assessment analyses (U.S. DOE, 1996) indicate that human intrusion by inadvertent and intermittent drilling for resources provide the only credible mechanisms for significant releases of radionuclides horn the disposal system. These releases may occur by five mechanisms: (1) cuttings, (2) cavings, (3) spallings, (4) direct brine releases, and (5) long-term brine releases. The first four mechanisms could result in immediate release of contaminant to the accessible environment. For the last mechanism, migration pathways through the permeable layers of rock above the Salado are important, and major emphasis is placed on the Culebra Member of the Rustler Formation because this is the most transmissive geologic layer in the disposal system. For reasons of initial quantity, half-life, and specific radioactivity, certain isotopes of Th, U, Am, and Pu would dominate calculated releases from the WIPP. In order to help quanti~ parameters for the calculated releases, radionuclide transport experiments have been carried out using five intact-core columns obtained from the Culebra dolomite member of the Rustler Formation within the Waste Isolation Pilot Plant (WIPP) site in southeastern New Mexico. This report deals primarily with results of mathematical analyses related to the retardation of %J%, 24%, and 24'Am in two of these cores (B-Core - VPX26-11A and C-Core - VPX28-6C). All B-Core transport experiments were done using Culebra-simukmt brine relevant to the core recovery location (the WIPP air-intake shaft - AIS). Most experiments with C-Core were done with AIS brine with some admixture of a brine composition (ERDA-6) that simulated deeper formation brines. No significant changes in transport behavior were observed for changes in brine. Hydraulic characteristics (i.e., apparent porosity and apparent dispersion coefficient) for the cores were obtained via experiments using conservative tracer `Na. Elution experiments carried out over periods of a few days with tracers `*U and %Np indicated that these tracers were weakly retarded as indicated by delayed elution of these species. Elution experiments with tracers `%, 24'Pu, and 24'Ani were performed, but no elution of any of these species was observed in any flow experiment to date, including experiments of up to two years duration. However, B-Core was subjected to tomographic analysis from which a retardation factor can be inferred for%. Moreover, the fact of non- elution for 24*Pu and 24'Am after more than two years brine flow through C-Core can be coupled with the minimum detectable activity for each of these species to compute minimum retardation factors in C-Core. The retardation factors for all three species can then be coupled with the apparent hydraulic characteristics to estimate an apparent minimum solutionhock distribution coefficient, &, for each actinide. The specific radionuclide isotopes used in these experiments were chosen to facilitate analysis. Even though these isotopes are not necessarily the same as those that are most important to WIPP performance, they are isotopes of the same elements, and . their chemical and transport properties are therefore identical to those of isotopes in the WIPP inventory. The retardation factors and & values deduced from experimental results strongly support the contention that sorption in the Culebra provides an effective barrier to release of Th, Pu, and Am during the regulatory period.

This paper presents the Local Area Network Distributed Supervisory Control and Programming Environment (LandScape) commands set that provides a Generic Device Subsystem Application Programmers Interface (API). These commands are implemented using the Common Object Request Broker Architecture (CORBA) specification with Orbix from Iona Technologies.

The purpose of this project was to create a reliable, 3D sensing and visualization system for unattended monitoring. The system provides benefits for several of Sandia's initiatives including nonproliferation, treaty verification, national security and critical infrastructure surety. The robust qualities of the system make it suitable for both interior and exterior monitoring applications. The 3D sensing system combines two existing sensor technologies in a new way to continuously maintain accurate 3D models of both static and dynamic components of monitored areas (e.g., portions of buildings, roads, and secured perimeters in addition to real-time estimates of the shape, location, and motion of humans and moving objects). A key strength of this system is the ability to monitor simultaneous activities on a continuous basis, such as several humans working independently within a controlled workspace, while also detecting unauthorized entry into the workspace. Data from the sensing system is used to identi~ activities or conditions that can signi~ potential surety (safety, security, and reliability) threats. The system could alert a security operator of potential threats or could be used to cue other detection, inspection or warning systems. An interactive, Web-based, 3D visualization capability was also developed using the Virtual Reality Modeling Language (VRML). The intex%ace allows remote, interactive inspection of a monitored area (via the Internet or Satellite Links) using a 3D computer model of the area that is rendered from actual sensor data.

This report provides an overview of the results of the Vital the Nicaraguan Water Resources Management Initiative, Issues process as implemented for a collaborative effort between the Nicaraguan Ministry of Environment and Natural Resources and Sandia National Laboratories. This initiative is being developed to assist in the development of an efficient and sustainable water resources management system for Nicamgua. The Vital Issues process was used to provide information for developing a project that will develop and implement an advanced information system for managing Nicaragua's water resources. Three Vital Issues panel meetings were convened to 1) develop a mission statement and evaluation criteria for identifying and ranking the issues vital to water resources management in Nicaragua 2) define and rank the vital issues; and 3) identify a preliminary list of information needed to address the vital issues. The selection of panelists from the four basic institutional perspectives- government, industiy, academe, and citizens' groups (through nongovernmental organizations (NGOs))-ensured a high level of stakeholder representation on the panels. The already existing need for a water resource management information system has been magnified in the aftemnath of Hurricane Mitch. This information system would be beneficial for an early warning system in emergencies, and the modeling and simulation capabilities of the system would allow for advanced planning. Additionally, the outreach program will provide education to help Nicaraguan improve their water hygiene practices.

Materials compatibility studies of aged, engineered materials and hardware are critical to understanding and predicting component reliability, particularly for systems with extended stockpile life requirements. Nondestructive testing capabilities for component reliability would significantly enhance lifetime predictions. For example, if the detection of crack propagation through a solder joint can be demonstrated, this technique could be used to develop baseline information to statistically determine solder joint lifelengths. This report will investigate high frequency signal response techniques for nondestructively evaluating the electrical behavior of thick film hybrid transmission lines.

Parameters have been identified that can be modeled stochastically using PORFLOW and Latin Hypercube Sampling (LHS). These parameters include hydrologic and transport properties in the vadose and saturated zones, as well as source-term parameters and infiltration rates. A number of resources were used to define the parameter distributions, primarily those provided in the Retrieval Performance Evaluation Report (Jacobs, 1998). A linear rank regression was performed on the vadose-zone hydrologic parameters given in Khaleel and Freeman (1995) to determine if correlations existed between pairs of parameters. No strong correlations were found among the vadose-zone hydrologic parameters, and it was recommended that these parameters be sampled independently until future data or analyses reveal a strong correlation or functional relationship between parameters. Other distributions for source-term parameters, infiltration rates, and saturated-zone parameters that are required to stochastically analyze the performance of the AX Tank Farm using LHS/PORFLOW were adapted from distributions and values reported in Jacobs (1998) and other literature sources. Discussions pertaining to the geologic conceptualization, vadose-zone modeling, and saturated-zone modeling of the AX Tank Farm are also presented.

Abstract not provided.

Abstract not provided.

In 1989 BNL was added to the EPAs National Priorities List. The site is divided into seven operable units (OU). OU-I includes the former landfill area. The field task site is noted as the AOC 2C Glass Holes location. Beginning in the 1960s and continuing into the 1980s, BNL disposed of laboratory waste (glassware, chemicals and animal carcasses) in numerous shallow pits. The drivers for remediating the pits are; historical records that indicate hazardous materials may have been disposed of in the pits; ground water contamination down gradient of the pits; a test excavation of one of the glass holes that unearthed laboratory glass bottles with unidentified liquids still contained; and the fact that BNL rests atop an EPA designated sole-source aquifer. The specific site chosen for this demonstration was pit G-11. The requirements that lead to choosing this pit were; a well characterized pit and a relatively isolated pit where our construction operations would not impact on adjacent pits. The glass holes area, including pit G-11, was comprehensively surveyed using a suite of geophysical techniques (e.g., EM-31, EM-61, GPR). Prior to stabilizing the waste form a subsurface barrier was constructed to contain the entire waste pit. The pit contents were then stabilized using a cement grout applied via jet grouting. The stabilization was performed to make removal of the waste from the pit easier and safer in terms of worker exposure. The grouting process would mix and masticate the waste and grout and form a single monolithic waste form. This large monolith would then be subdivided into smaller 4 foot by 4 foot by 10-12 foot block using a demolition grout. The smaller blocks would then be easily removed from the site and disposed of in a CERCLA waste site.

This is the final report of an LDRD program entitled 'Scanning Probe-Based Processes for Nanometer-Scale Device Fabrication'. This program intends to expand Sandia's expertise in scanning-probe based fabrication and characterization of nanostructures. Our object is to achieve an order of magnitude decrease in feature size compared to conventional fabrication technology. We are exploring approaches to nanostructure fabrication and characterization using scanning probe-based (STM, AFM). We also are developing numerical simulations of localized electric field and emission current to explore mechanisms and characterize limits to processing techniques. We emphasize novel fabrication processes and characterization of physical, chemical and electronic effects in nanostructures.

The process of manufacturing the MC4277 Neutron Tube requires the evacuation of the device through a 4.76 mm (.1875 in.) OD copper tube. Eight tubes are simultaneously evacuated and then baked out. When the process is completed, the tubes must be separated from the system without compromising the ultra-high vacuum in the tube and the system. Previously, a manual pinch-off tool was used. This procedure required up to 3 operators with a high probability of creating defective seals or destroyed tubes. Two new identical robotic systems were built to allow a single operator to consistently produce good tubes with perfect seals. These systems have the added capability of partially pinching off tubes at jaw displacements repeatable to *0.05 mm (kO.002 in.). Both systems have operated flawlessly since their installation in January and March, 1998. A detailed description of these systems is given in this report.

The elevation change data measured at the Weeks Island SPR site over the last 16+ years has been studied and analyzed. The subsidence rate is not constant with time and while the subsidence rate may have increased slightly during the past several years, recently the rate has increased more dramatically. The most recent increase comes at a time when the Strategic Petroleum Reserve (SPR) storage mine had been emptied of oil and was in the process of being refilled with brine. Damage to surface structures that has been observed during the past 12-18 months is attributed to the continued subsidence and dtierential subsidence across structures. The recent greater subsidence rates were unanticipated according to analysis results and will be used to aid further subsidence model development.