Publications

This paper describes the use of computerized simulation to model microstructures of various materials.

Thermally activated (``thermal``) batteries have been used for ordnance applications (e.g., proximity fuzes) since World War II and, subsequent to that, in nuclear weapons. This technology was developed by the Germans as a power source for their V2 rockets. It was obtained by the Allies by interrogation of captured German scientists after the war. The technology developed rapidly from the initial primitive systems used by the Germans to one based on Ca/CaCrO{sub 4}. This system was used very successfully into the late 1970s, when it was replaced by the Li-alloy/FeS{sub 2} electrochemical system. This paper describes the predominant electrochemical couples that have been used in thermal batteries over the years. Major emphasis is placed on the chemistry and electrochemistry of the Ca/CaCrO{sub 4} and Li-alloy/FeS{sub 2} systems. The reason for this is to give the reader a better appreciation for the advances in thermal-battery technology for which these two systems are directly responsible. Improvements to date in the current Li-alloy/FeS{sub 2} and related systems are discussed and areas for possible future research and development involving anodes, cathodes, electrolytes, and insulations are outlined. New areas where thermal-battery technology has potential applications are also examined.

The current publicly released version of the Integrated TIGER Series (ITS), Version 3.0, has been widely distributed both domestically and internationally, and feedback has been very positive. This feedback as well as our own experience have convinced us to upgrade the system in order to honor specific user requests for new features and to implement other new features that will improve the physical accuracy of the system and permit additional variance reduction. This presentation we will focus on components of the upgrade that (1) improve the physical model, (2) provide new and extended capabilities to the three-dimensional combinatorial-geometry (CG) of the ACCEPT codes, and (3) permit significant variance reduction in an important class of radiation effects applications.

Several wellbore hydraulic models have been examined to determine their applicability in measuring the characteristics of lost circulation zones encountered in geothermal drilling. Characteristics such as vertical location in the wellbore, fracture size, effective permeability, and formation pressure must be known in order to optimize treatment of such zones. The models that have been examined to date are a steady-state model, a standpipe-pressure model, a raising-the-drill-bit model, a mud-weight model, a hydrofracture model, and several time-dependent models. None of these models yet have been found to adequately match the field data obtained from six loss zones in three geothermal wells. The development of these models is presented in this paper, and a discussion of their limitations is provided.

Short communication.

Oxide electrode technology is investigated for optimization of Pb(Zr,Ti)O{sub 3} (PZT) thin film capacitor properties for high density nonvolatile memory applications. PZT thin film capacitors with RF sputter deposited La{sub 0.5}Sr{sub 0.5}CoO{sub 3} (LSCO) electrodes have been characterized with respect to the following parameters: initial dielectric hysteresis loop characteristics, fatigue performance, microstructure and imprint behavior. Our studies have determined that the fatigue of PZT capacitors with LSCO electrodes is less sensitive to B site cation ratio and underlying electrode stack technology than with RuO{sub 2} electrodes. Doping PZT thin films with Nb (PNZT) improves imprint behavior of LSCO//PZT//LSCO capacitors considerably. We have demonstrated that PNZT 4/30/70 // LSCO capacitors thermally processed at either 550{degrees}C or 675{degrees}C have almost identical initial hysteresis properties and exhibit essentially no fatigue out to approximately 10{sup 10} cycles.

This paper describes a method for criticality control at fissile material storage facilities. The method involves the use criticiality indices for storage canisters. The logic, methodology, and results for selected canisters are presented. A concept for an interactive computer program using the method is also introduced. The computer program can be used in real time (using precalulated data) to select a Criticality Index (CI) for a container when it is delivered to or packaged at a site. Criticality safety is assured by controlling the sum of the CIs at each storage location below a defined Emit value when containers are moved.

The possibility of worker exposure to radioactive materials during accidents at nuclear facilities is a principal concern of the DOE. The KBERT software has been developed at Sandia National Laboratories under DOE support to address this issue by assisting in the estimation of risks posed by accidents at chemical and nuclear facilities. KBERT is an acronym for Knowledge-Based system for Estimating hazards of Radioactive material release Transients. The current prototype version of KBERT focuses on calculation of doses and consequences to in-facility workers due to accidental releases of radioactivity. This report gives detailed instructions on how a user who is familiar with the design, layout and potential hazards of a facility can use KBERT to assess the risks to workers in that facility. KBERT is a tool that allows a user to simulate possible accidents and observe the predicted consequences. Potential applications of KBERT include the evaluation of the efficacy of evacuation practices, worker shielding, personal protection equipment and the containment of hazardous materials.

An Image Compression and Authentication Module (ICAM) has been designed to perform the digitization, compression, and authentication of video images in a camera enclosure. The ICAM makes it possible to build video surveillance systems that protect the transmission and storage of video images. The ICAM functions with both NTSC 525 line and PAL 625 line cameras and contains a neuron chip (integrated circuit) permitting it to be interfaced with a local operating network which is part of the Modular Integrated Monitor System (MIMS). The MIMS can be used to send commands to the ICAM from a central controller or any sensor on the network. The ICAM is capable of working as a stand alone unit or it can be integrated into a network of other cameras. As a stand alone unit it sends its video images directly over a high speed serial digital link to a central controller for storage. A number of ICAMs can be multiplexed on a single coaxial cable. In this case, images are captured by each ICAM and held until the MIMS delivers commands for an individual image to be transmitted for review or storage. The ICAM can capture images on a time interval basis or upon receipt of a trigger signal from another sensor on the network. An ICAM which collects images based on other sensor signals, forms the basis of an intelligent {open_quotes}front end{close_quotes} image collection system. The burden of image review associated with present video systems is reduced by only recording the images with significant action. The cards used in the ICAM can also be used to decompress and display the compressed images on a NTSC/PAL monitor.

Coatings produced by feeding a steel wire into a high-velocity oxy-fuel (HVOF) torch are being intensively studied by the automotive industry as a cost-effective alternative to the more expensive cast iron sleeves currently used in aluminum engine blocks. The microstructure and properties of the sprayed coatings and the overall economics of the process depend critically on the melting and atomization occurring at the wire tip. This paper presents results characterizing several aspects of wire melting and droplet breakup in an HVOF device. Fluctuations in the incandescent emission of the plume one centimeter downstream from the wire tip were recorded using a fast photodiode. A Fourier transform of the light traces provided a measure of the stripping rate of molten material from the wire tip. Simultaneous in-flight measurement of atomized particle size and velocity distributions were made using a Phase Doppler Particle Analyzer (PDPA). The recorded size distributions approximate a log-normal distribution. Small particles traveled faster than large particles, but the difference was considerably smaller than simple aerodynamic drag arguments would suggest. A set of experiments was carried out to determine the effect that variations in torch gas flow rates have on wire melt rate, average particle size, and average particle velocity. The observed variation of particle size with spray condition is qualitatively consistent with a Weber breakup of the droplets coming off the wire. The measurements also showed that it was possible to significantly alter atomized particle size and velocity without appreciably changing the wire melt rate.

This paper discusses two commercially-available laser diagnostics that have been used in thermal spray research at Sandia National Laboratories: (1) a Phase Doppler Particle Analyzer (PDPA) and (2) a Laser Two-Focus (L2F) velocimeter. The PDPA provides simultaneous, correlated measurements of particle velocity and particle size distributions; but, particle sizing doesn`t work well with non-spherical particles or particles with rough surfaces. The L2F is used to collect particle velocity and number density distributions, and it can readily distinguish and separately measure particles with off-axis velocity vectors. PDPA and L2F principles of operation are presented along with potential advantages and limitations for thermal spray research. Four experiments were conducted to validate and compare measurement results with the PDPA and L2F instruments: (1) spinning wire, (2) powder in a High-Velocity Oxy-Fuel (HVOF) jet, (3) powder in a cold jet, and (4) droplets in a wire-fed HVOF jet. TWO DIFFERENT TYPES of commercially-available laser velocimeter systems, a Phase Doppler Particle Analyzer and a Laser-Two-Focus velocimeter have been used in the Thermal Spray Research Laboratory at Sandia National Laboratories. Each of these techniques has inherent advantages and limitations for thermal spray, and each involves assumptions that may not be valid for some experimental conditions. This paper describes operating principles and possible sources of measurement error for these two diagnostic systems. Some potential advantages and limitations are also presented. Four types of experiments were also conducted to validate and compare PDPA and L2F measurement results: (1) spinning wire, (2) powder in a High-Velocity Oxy-Fuel (HVOF) jet, (3) powder in a cold jet, and (4) droplets in a wire-fed HVOF jet. We also offer a few observations related to practical issues such as ease-of-use, reliability, and effects of dust and vibration in a thermal spray lab.

In the context of U.S. and Russian lab-to-lab initiatives, Sandia National Laboratories contracted with Kurchatov Institute Russian Research Center to demonstrate the feasibility of remotely monitoring the storage of nuclear material. The cooperative experiment was to demonstrate the Remote Monitoring System (RMS) with a minimum of 10 kg of HEU in storage at reciprocal facilities. The Kurchatov Institute selected a site at their facility and the DOE selected a site at the Argonne National Laboratory-West facility. At Kurchatov, there is material for monitoring in a floor vault, a cabinet, and shipping containers. At Argonne West, material stored in two types of storage systems is available for material monitoring. This paper discusses the system concept from both perspectives: the operator of a facility where a RMS is deployed and the user of the RMS at the remote site. The demonstration provides a unique opportunity to have a bilateral demonstration/evaluation where each participant examines all aspects of the system. The hardware and software needed to implement this system is discussed. The impacts to the operation of the facilities are discussed as well as the use of the system to remotely monitor a facility. This technology provides the capability of remotely monitoring the access to the stored nuclear materials but is not a real time security alarm system. Several enhancements to the Remote Monitoring System have been identified for future consideration.

The MIMS program is funded by the Department of Energy under the Office of Nonproliferation and National Security. The program objective is to develop cost effective, modular, multi-sensor monitoring systems. Both in-plant and ground based sensors are envisioned. It is also desirable to develop sensors/systems that can be fielded/deployed in a rapid fashion. A MIMS architecture was selected to allow modular integration of sensors and systems and is based on LonWorks technology, commercially developed by Echelon Corporation. The first MIMS fieldable hardware was demonstrated at Lawrence Livermore National Laboratory. The field test, known within the DOE as the Item Tracking and Transparency (IT&I) demonstration, involved the collaboration and cooperation of five DOE laboratories (Sandia (SNL), Lawrence Livermore (LLNL), Pacific Northwest (PNL), Los Alamos (LANL), and Oak Ridge (ORNL)). The IT&T demonstration involved the monitoring of special nuclear material as it was transported around the facility utilizing sensors from the participating labs. The scenario was programmed to ignore normal activity in the facility until entry into the room where the material was stored. A second demonstration, which involved three separate scenarios, was conducted at Idaho National Engineering Laboratory (INEL). The participants included representatives from SNL, LLNL, PNL, and INEL. DOE has selected INEL as the long term testbed for MIMS developed sensors, systems, and scenarios. This paper will describe the installation, intended purpose, and results of the field demonstrations at LLNL and INEL under the MIMS program.

A goal among many law enforcement and security professionals, and the National Institute of Justice, is to decrease the risk that an officer or security guard may encounter. One risk that officers confront is unpredictable persons who sometimes try to gain control of the officer`s firearm. The addition of user-recognizing-and-authorizing technologies to a firearm could eliminate the capability of an unauthorized user from firing an officer`s firearm. Sandia National Laboratories has been active in the research and development of nuclear security systems that include access and use control technologies. Sandia is being sponsored by the National Institute of Justice to perform a research and development project to determine the feasibility of a user authorized firearm, or {open_quotes}smart gun.{close_quotes} The focus group for the research is law enforcement officers because of the number of firearm take aways that have occurred in the past and the severe use requirements placed on their firearms. A comprehensive look at the problem of weapon take aways in the United States was conducted using information available from the Federal Bureau of Investigation and other law enforcement sources. An investigation into the end user requirements for smart gun technologies has been completed. During the remainder of the project, the user requirements are being transformed into engineering requirements. which will then be used to evaluate numerous technologies that could be used in a smart gun. Demonstration models will be made of the most promising technologies. Other potential applications are remote enabling and disabling of firearms, transportation of prisoners by corrections officers, military use in operations other than war, and use by private citizens.

A nonaqueous coprecipitation process has been developed to prepare controlled stoichiometry lithium manganese oxalate precipitates. The process involved mixing a methanolic Li-Mn nitrate solution with a methanolic solution containing tetramethylammonium oxalate as the precipitating agent. The resulting oxalates were readily converted to a variety of phase pure lithium manganese oxides at moderate temperatures ({le}600{degrees}C), where the phase formed was determined by the initial Li/Mn ratio in the starting solution. Metal cation dopants have been incorporated into the oxalate precipitate by dissolving the appropriate metal nitrate in the Li-Mn precursor solution The various starting solutions, oxalate precipitates, and calcined oxides have been extensively characterized using a variety of techniques, including {sup 7}Li NMR, TGA/DTA, SEM, and XRD. Results indicate that a strong interaction occurs between Li and Mn in the nitrate solution which carries over into the oxalate phase during precipitation. The morphology and the crystallite size of the oxide powders were shown to be controlled by the morphology of the oxalate precursor and the oxalate calcination temperature, respectively. The results of initial cathode performance tests with respect to dopant type (Al, Ni, Co) and concentration for LiMn{sub 2}O{sub 4} are also reported.

The Treaty on Open Skies has very specific requirements as a confidence building measure, but it could also serve as a component of an SNM Cutoff monitoring strategy. The participants to the Treaty are European countries, the United States, and Canada and would have to be extended to include other than the present signatories if it were to be used in a worldwide SNM verification Cutoff role. The major nuclear powers with the exception of China are signatories to the Treaty and the inclusion of other member states will only be considered once entry into force has started. The technology and data sharing provisions of the Treaty have defined the airborne sensor performance specifications. Therefore, the Treaty allowed sensor technology may not be adequate for the purposes of monitoring an SNM Cutoff regime. New sensors and sensor performance levels to adequately monitor an SNM Cutoff regime may be proposed only after entry into force of the Treaty on Open Skies. The utility of an aerial inspection component to the monitoring strategy for an SNM Cutoff regime would best be evaluated with field trials using realistic scenarios. This would allow the testing of synergism among other components of an overall monitoring strategy and would lend insight into the appropriate sensor technology to be recommended for future implementation.

While many techniques exist for production of soft tooling, for die casting there is limited recent experience with cast tooling. The most common US alloy used for manufacture of die casting tooling is wrought AISI H13. If the performance of the cast material is comparable to the wrought counterpart, the use of investment cast HI 3 tooling directly from patterns made via rapid prototyping is of considerable interest. A metallurgical study of investment cast H13 was conducted to evaluate the mechanical behavior in simulated die casting applications. Variable thickness plate investment castings of AISI H13 hot work die steel were produced and characterized in the as-cast and heat-treated conditions. The characterization included light microscopy and mechanical testing. Wrought samples of standard and premium grade H13 were heat-treated and characterized similarly for comparison. Microstructural differences were observed in as-cast samples produced in different section thicknesses. Dendrite cell size and carbide morphology constituted the most prominent microstructural differences observed. After a full heat-treatment, microstructural differences between the wrought material and cast materials were slight regardless of section thickness.The mechanical properties of the cast and heat-treated material proved similar to the properties of the standard heat-treated wrought material. A thermal fatigue testing unit was to con-elate the heat checking susceptibility of H13 steel to its processing and consequent microstructural condition. Surface hardness decreased significantly with thermal cycling, and heat checking was observed in as few as 50 cycles. Thermal softening and thermal fatigue susceptibility were quantified and discussed relative to the microstructural conditions created by processing and heat-treatment. It was found that the premium grade wrought H13 steel provided the best overall resistance to heat checking.

Changes in the reactant ion composition in the ion mobility spectrometer (IMS) can result in a change in the ionization processes occurring in the ionization region, ultimately leading to an altered instrumental response for the analyte, and exacerbating the problem of qualitative and quantitative analysis. Some species are very susceptible to changes in reactant ions, while other species are relatively unaffected. These types of behavior are observed for two common explosives, namely, hexahydro-1,3,5-trinitrol,3,5-triazine (RDX) and 1,3,5-trinitrotoluene (TNT), respectively. To control the reactant ion composition, and hence the gas phase chemistry, it is necessary to control the composition of gases present in the ionization region of the IMS. A series of modifications are described for the PCP Phemto-Chem 100 IMS that afford the requisite control. The effectiveness of these modifications for analysis of RDX and TNT are described and contrasted with that observed for the unmodified system.

Sputter deposition of ZnS:Mn/SrS:Ce multilayered broad-band ``white`` emission thin film electroluminescent (TFEL) stacks has been investigated. To date, deposition of these multilayers has been limited to vacuum evaporation techniques and atomic layer epitaxy, both of which require two different substrate temperatures for growth of high quality ZnS and SrS. This repeated thermal cycling during multilayer deposition can induce stress, defects, and interdiffusion with adversely affect EL performance. Sputter deposition of ZnS and SrS produces high quality TFELs for a wider range of substrate temperatures. Both materials can be sputter deposited at a common temperature (300-350{degrees}C) which eliminates the need for thermal cycling and increases manufacturability. Luminance outputs from sputter deposited ZnS and SrS thin films are comparable to those from evaporated films, making sputtering an attractive alternative deposition technique for these materials. We report on the effects of sputter deposition parameters including chamber pressure, substrate temperature, and H2S process gas partial pressure on the resultant composition and morphology of ZnS:Mn and SrS:Ce thin films and multilayers. Their EL performance was evaluated and correlated to composition and morphology.

This paper presents an overview of physical protection cooperation activities between Sandia (SNL) and the Former Soviet Union (FSU) regarding Material Protection Control and Accounting (MPC&A) responsibilities. Begun four years ago as part of the Safe, Secure Dismantlement Program, this project is intended to stem proliferation of weapons of mass destruction. Purpose of the program is to accelerate progress toward a goal shared by both Russia and the United States: to reduce the risk of nuclear weapons proliferation, including such threats as theft, diversion, and unauthorized possession of nuclear materials. This will be accomplished by strengthening the MPC&A systems in both, countries. This new program (US Department of Energy Laboratory-to-Laboratory MPC&A program) is designed to complement Government-to-Government programs sponsored by US Senators Nunn and Lugar. US and Russian representatives exchange visits and discuss physical protection philosophies. Russian representatives have received formal training in the US process of system design and analysis to include the design of an effective physical protection system, determination of physical protection system objectives, initial design of a physical protection system, evaluation of the design, and often redesign or refinement of the existing system. Some Russian organizations have philosophies similar to those of the United States, but when they differ, the US and Russian representatives must negotiate. Other Russian organizations, because of heavy reliance on guard forces, have not developed a systematic design process. Cooperative work between US national laboratories and Russian counterparts has resulted in major physical protection enhancements at a Russian demonstration site and other advancements for Laboratory-to-Laboratory projects.

The objective of this project is to develop novel catalysts for the direct conversion of natural gas to a liquid fuel. The current work investigates the use of biomimetic metalloporphyrins as catalysts for the partial oxidation of light alkanes to alcohols.

Long term mechanical creep and fatigue testing at elevated temperatures requires reliable systems with safeguards to prevent destruction of equipment, loss of data and negative environmental impacts. Toward this goal, a computer controlled system has been developed and built for interlocking tests run on elevated temperature mechanical test facilities. Sensors for water flow, water pressure, water leakage, temperature, power and hydraulic status are monitored to control specimen heating equipment through solid state relays and water solenoid valves. The system is designed to work with the default interlocks present in the RF generators and mechanical tests systems. Digital hardware consists of two National Instruments 1/0 boards mounted in a Macintosh IIci computer. Software is written in National Instruments LabVIEW. Systems interlocked include two MTS closed loop servo controlled hydraulic test frames, one with an RF generator and one with both an RF generator and a quartz lamp furnace. Control for individual test systems is modularized making the addition of more systems simple. If any of the supporting utilities fail during tests, heating systems, chill water and hydraulics are powered down, minimizing specimen damage and eliminating equipment damage. The interlock control is powered by an uninterruptible power supply. Upon failure the cause is documented in an ASCII file.

This document describes the processes to be used for creating corporate information systems within the scope of the Integrated information Services (IIS) Center. This issue A describes the Analysis and Implementation phases within the context of the entire life cycle. Appendix A includes a full set of examples of the analysis set deliverables. Subsequent issues will describe the other life cycle processes as we move toward enterprise-level management of information assets, including information meta-models and an integrated corporate information model. The analysis phase as described here, when combined with a specifications repository, will provide the basis for future reusable components and improve traceability of information system specifications to enterprise business rules.

In an R&D environment, Environmentally Conscious Manufacturing (ECM), which focuses on specific materials processing and manufacturing operations, can be used to bring about a broader objective: pollution prevention. Decreasing the impact a product or process has on the environment is quickly becoming the way to do business. In the past, the impact on the environment was considered separately from manufacturing processes. Now, companies are beginning to see the benefits of designing to minimize environmental impact. Incorporating upfront the process changes that reduce environmental impact offers improved process efficiency and long-term cost savings not only for manufacturing operations but also for R&D. Among the approaches used, all with the same objective of decreasing pollution and environmental impact from manufacturing or other business operations, are Environmentally Conscious Manufacturing (ECM), Design for Environment (DfE), and Pollution Prevention (P2).

The upwind leapfrog scheme for electromagnetic scattering is briefly described. Its application to the 3D Maxwell`s time domain equations is shown in detail. The scheme`s use of upwind characteristic variables and a narrow stencil result in a smaller demand in communication overhead, making it ideal for implementation on distributed memory parallel computers. The algorithm`s implementation on two message passing computers, a 1024-processor nCUBE 2 and a 1840-processor Intel Paragon, is described. Performance evaluation demonstrates that the scheme performs well with both good scaling qualities and high efficiencies on these machines.