Publications

Porous materials technology has developed products with a wide variety of pore sizes ranging from 1 angstrom to 100`s of microns and beyond. Beyond 15{angstrom} it becomes difficult to obtain well ordered, monodisperse pores. In this report the authors describe efforts in making novel porous material having monodisperse, controllable pore sizes spanning the mesoporous range (20--500 {angstrom}). They set forth to achieve this by using unique properties associated with block copolymers--two linear homopolymers attached at their ends. Block copolymers phase separate into monodisperse mesophases. They desired to selectively remove one of the phases and leave the other behind, giving the uniform monodisperse pores. To try to achieve this the authors used ring-opening metathesis polymerization to make the block copolymers. They synthesized a wide variety of monomers and surveyed their polymers by TGA, with the idea that one phase could be made thermally labile while the other phase would be thermally stable. In the precipitated and sol-gel processed materials, they determined by porosimetry measurements that micropores, mesopores, and macropores were created. In the film processed sample there was not much porosity present. They moved to a new system that required much lower thermal treatments to thermally remove over 90% of the labile phase. Film casting followed by thermal treatment and solvent extraction produced the desired monodisperse materials (based solely on SEM results). Modeling using Density Functional Theory was also incorporated into this project. The modeling was able to predict accurately the domain size and spacing vs. molecular weight for a model system, as well as accurate interfacial thicknesses.

The origin of recrystallization nuclei is reviewed with particular emphasis on materials in which well-developed cells are present in the deformed state. Nucleation is discussed in terms of coarsening of the subgrain network that develops on annealing and an analogy is made with abnormal grain growth. The results of a theoretical analysis of abnormal growth are summarized. The Monte Carlo model for grain growth is adapted for variable grain boundary energy and mobility in order to investigate the behavior of individual grains with special properties. The simulation results show that both energy and mobility affect abnormal growth as expected from the theoretical analysis. The results are discussed in terms of the stability that subgrain networks may exhibit depending on their mean misorientation.

Large scale coherent structures are intrinsic fluid mechanical characteristics of all free-shear flows, from incompressible to compressible, and laminar to fully turbulent. These quasi-periodic fluid structures, eddies of size comparable to the thickness of the shear layer, dominate the mixing process at the free-shear interface. As a result, large scale coherent structures greatly influence the operation and efficiency of many important commercial and defense technologies. Large scale coherent structures have been studied here in a research program that combines a synergistic blend of experiment, direct numerical simulation, and analysis. This report summarizes the work completed for this Sandia Laboratory-Directed Research and Development (LDRD) project.

The authors present the final report on a Laboratory-Directed Research and Development (LDRD) project, A Multi-level Code for Metallurgical Effects in metal-Forming Processes, performed during the fiscal years 1995 and 1996. The project focused on the development of new modeling capabilities for simulating forging and extrusion processes that typically display phenomenology occurring on two different length scales. In support of model fitting and code validation, ring compression and extrusion experiments were performed on 304L stainless steel, a material of interest in DOE nuclear weapons applications.

This article discusses a new intracavity laser technique that uses living or fixed cells as an integral part of the laser. The cells are placed on a GaAs based semiconductor wafer comprising one half of a vertical cavity surface-emitting laser. After placement, the cells are covered with a dielectric mirror to close the laser cavity. When photo-pumped with an external laser, this hybrid laser emits coherent light images and spectra that depend sensitively on the cell size, shape, and dielectric properties. The light spectra can be used to identify different cell types and distinguish normal and abnormal cells. The laser can be used to study single cells in real time as a cell-biology lab-on-a-chip, or to study large populations of cells by scanning the pump laser at high speed. The laser is well-suited to be integrated with other micro-optical or micro-fluidic components to lead to micro-optical-mechanical systems for analysis of fluids, particulates, and biological cells.

The goal of this project was to develop a framework for robotic planning and execution that provides a continuum of adaptability with respect to model incompleteness, model error, and sensing error. For example, dividing robot motion into gross-motion planning, fine-motion planning, and sensor-augmented control had yielded productive research and solutions to individual problems. Unfortunately, these techniques could only be combined by hand with ad hoc methods and were restricted to systems where all kinematics are completely modeled in planning. The original intent was to develop methods for understanding and autonomously synthesizing plans that coordinate motion, sensing, and control. The project considered this problem from several perspectives. Results included (1) theoretical methods to combine and extend gross-motion and fine-motion planning; (2) preliminary work in flexible-object manipulation and an implementable algorithm for planning shortest paths through obstacles for the free-end of an anchored cable; (3) development and implementation of a fast swept-body distance algorithm; and (4) integration of Sandia`s C-Space Toolkit geometry engine and SANDROS motion planer and improvements, which yielded a system practical for everyday motion planning, with path-segment planning at interactive speeds. Results (3) and (4) have either led to follow-on work or are being used in current projects, and they believe that (2) will eventually be also.

Six hydraulic-fracture injections into a fluvial sandstone at a depth of 4300 ft were monitored with multi-level tri-axial seismic receivers in two wells and an inclinometer array in one well, resulting in maps of the growth and final geometry of each fracture injection. These diagnostic images show the progression of height and length growth with fluid volume, rate and viscosity. Complexities associated with shut downs and high treatment pressures can be observed. Validation of the seismic geometry was made with the inclinometers and diagnostic procedures in an intersecting well. Fracture information related to deformation, such as fracture closure pressure, residual widths, and final prop distribution, were obtained from the inclinometer data.

Results from SmartWeld`s first working session involving in-progress designs is presented. The Welding Advisor component of SmartWeld was thoroughly exercised, evaluated all eleven welds of the selected part. The Welding Advisor is an expert system implemented with object-oriented techniques for knowledge representation. With two welding engineers in attendance, the recommendations of the Welding Advisor were thoroughly examined and critiqued for accuracy and for areas of improvement throughout the working session. The Weld Schedule Database component of SmartWeld was also exercised. It is a historical archive of proven, successful weld schedules that can be intelligently searched using the current context of SmartWeld`s problem solving state. On all eleven welds, the experts agreed that Welding Advisor recommended the most risk free options. As a result of the Advisor`s recommendation, six welds agreed completely with the experts, two welds had their joint geometry modified for production, and three welds were not modified but extra care was exercised during welding. 25 figs., 3 tabs.

This report documents the final results of the XR2-1 boiling water reactor (BWR) metallic melt relocation experiment, conducted at Sandia National Laboratories for the U.S. Nuclear Regulatory Commission. The objective of this experiment was to investigate the material relocation processes and relocation pathways in a dry BWR core following a severe nuclear reactor accident such as an unrecovered station blackout accident. The imposed test conditions (initial thermal state and the melt generation rates) simulated the conditions for the postulated accident scenario and the prototypic design of the lower core test section (in composition and in geometry) ensured that thermal masses and physical flow barriers were modeled adequately. The experiment has shown that, under dry core conditions, the metallic core materials that melt and drain from the upper core regions can drain from the core region entirely without formation of robust coherent blockages in the lower core. Temporary blockages that suspended pools of molten metal later melted, allowing the metals to continue draining downward. The test facility and instrumentation are described in detail. The test progression and results are presented and compared to MERIS code analyses. 6 refs., 55 figs., 4 tabs.

This project was supported by LDRD funding for the development and preliminary testing of a portable narcotics detection system. The system developed combines a commercial trace detector known as an ion mobility spectrometer (IMS) with a preconcentrator originally designed by Department 5848 for the collection of explosives molecules. The detector and preconcentrator were combined along with all necessary accessories onto a push cart, thus yielding a fully portable detection unit. Preliminary testing with both explosives and narcotics molecules shown that the system is operational, and that it can successfully detect drugs as marijuana, methamphetamine (speed), and cocaine based on their characteristics IMS signatures.

This document is the final report for the LDRD: An Enabling Architecture for Information Driven Manufacturing. The project was motivated by the need to bring quality products to market quickly and to remain efficient and profitable with small lot sizes, intermittent production and short product life cycles. The emphasis is on integration of the product realization process and the information required to drive it. Enterprise level information was not addressed except in so far as the enterprise must provide appropriate information to the production equipment to specify what to produce, and the equipment must return enough information to record what was produced. A production script approach was developed in which the production script specifies all of the information required to produce a quality product. A task sequencer that decomposes the script into process steps which are dispatched to capable Standard Manufacturing Modules. The plug and play interface to these modules allows rapid introduction of new modules into the production system and speeds up the product realization cycle. The results of applying this approach to the Agile Manufacturing Prototyping System are described.

This paper documents an effort to use a constrained nonlinear optimization package (OptdesX) to drive a feature-based mechanical design system (Pro/Engineer) in an optimization loop. Optimizations performed in this manner can maximally respect the design intent built into the model, and eliminate the need to propagate optimization results back to design, a flaw of most current optimization systems. A prototype system was built to demonstrate the capability; use of the prototype uncovered a variety of issues that should be addressed to productionize this kind of capability.

This report documents the work performed under the Laboratory-Directed Research and Development (LDRD) grant {open_quotes}Learning Efficient Hypermedia Navigation.{close_quotes} The bulk of the work is contained in the software developed for the WWW and a copy of the software demonstrating its use has been submitted to the LDRD office.

A mechanistically based model for a possible spall event at the WIPP site is developed and evaluated in this report. Release of waste material to the surface during an inadvertent borehole intrusion is possible if future states of the repository include high gas pressure and waste material consisting of fine particulates having low mechanical strength. The conceptual model incorporates the physics of wellbore hydraulics coupled to transient gas flow to the intrusion borehole, and mechanical response of the waste. Degraded waste properties using of the model. The evaluations include both numerical and analytical implementations of the conceptual model. A tensile failure criterion is assumed appropriate for calculation of volumes of waste experiencing fragmentation. Calculations show that for repository gas pressures less than 12 MPa, no tensile failure occurs. Minimal volumes of material experience failure below gas pressure of 14 MPa. Repository conditions dictate that the probability of gas pressures exceeding 14 MPa is approximately 1%. For these conditions, a maximum failed volume of 0.25 m{sup 3} is calculated.

Sandia National Laboratories/New Mexico (SNL/NM) is operated in support of the U.S. Department of Energy (DOE) mission to provide weapon component technology and hardware for national security needs, and to conduct fundamental research and development (R&D) to advance technology in energy research, computer science, waste management, electronics, materials science, and transportation safety for hazardous and nuclear components. In support of this mission, the Environmental Safety and Health (ES&H) Center at SNL/NM conducts extensive environmental monitoring, surveillance, and compliance activities to assist SNL`s line organizations in meeting all applicable environmental regulations applicable to the site including those regulating radiological and nonradiological effluents and emissions. Also herein are included, the status of environmental programs that direct and manage activities such as terrestrial surveillance; ambient air and meteorological monitoring; hazardous, radioactive, and solid waste management; pollution prevention and waste minimization; environmental restoration (ER); oil and chemical spill prevention; and National Environmental Policy Act (NEPA) documentation. This report has been prepared in compliance with DOE order 5400.1, General Environmental Protection.

The elevation change data measured at the West Hackberry SPR site over the last 14+ years has been studied and a model utilized to project elevation changes into the future. The subsidence rate has decreased with time due to instituting maintenance of higher operating pressures for caverns (since about 1990) and the normal decrease in creep closure rate of caverns with time. However, the subsidence at the site is projected to continue. As a result, low lying regions exist and the extents of these regions are projected to increase with time. These low lying regions are susceptible to inundation with water from Black Lake and/or hurricane storm surges. This work may assist DOE in planning the construction and location of mitigative measures for flood control.

Sandia National Laboratories (SNL) operates the Tonopah Test Range (TTR) for the Department of Energy`s (DOE) Weapons Ordnance Program. This annual report (calendar year 1996) summarizes the compliance status to environmental regulations applicable at the site including those statutes that govern air and water quality, waste management, clean-up of contaminated areas, control of toxic substances, and adherence to requirements as related to the National Environmental Policy Act (NEPA). In compliance with DOE Orders, SNL also conducts environmental surveillance for radiological and nonradiological contaminants. SNL`s responsibility for environmentals surveillance for radiological and nonradiological contaminants. SNL`s responsibility for environmental surveillance extends only to those activities performed by SNL or under its direction. Annual radiological and nonradiological routine releases and unplanned releases (occurrences) are also summarized herein.

In September, 1996, following the completion of an extensive Environmental Impact Statement (EIS), a record of decision (ROD) was issued by DOE selecting Sandia as the facility to take on the {sup 99}Mo production mission. {sup 99}Mo is the precursor to {sup 99m}Tc which is used in 36,000 medical procedures per day in the US. to meet US {sup 99}Mo medical demands, 20 kCi of {sup 99}Mo must be delivered to the pharmaceutical companies each week. This could be accomplished by the processing of twenty-five targets (total fission product of 15 kCi/target) each week within the SNL Hot Cell Facility (HCF). To accomplish this new mission, significant modifications to the HCF will have to be undertaken. This paper presents a brief history of the HCF, and describes modifications necessary to achieve DOE directives.

The mission of the Sandia National Laboratories (SNL) Annular Core Research Reactor (ACRR) and the Hot Cell Facility (HCF) has recently changed from support of Defense and other programs to support of the Department of Energy (DOE) Isotope Production and Distribution Program (IPDP). SNL`s primary role, in support of IPDP, is ensuring a reliable supply of {sup 99}Mo to the US health care system. SNL will also play a role of complementing the isotope production of other DOE Reactor facilities such as High Flux Isotope Reactor (HFIR) at Oak Ridge, Tennessee; High Flux Beam Reactor (HFBR) at Brookhaven, New York, ad Advanced Test Reactor (ATR) in Idaho. The unique characteristics that the SNL facilities offer to the IPDP facility capability are simplicity, multiple irradiation locations, ready irradiation space access and co-located hot cell facilities capable of processing a short decay fission product stream. The SNL {sup 99}Mo effort is characterized elsewhere and this paper is intended to describe the production of additional isotopes for that can be produced medical and other uses planned to start soon after the {sup 99}Mo capability has been established. Isotope production in the SNL facilities is through fission or by neutron activation.

The theory is developed for the antenna array for a proposed continuous-wave, ground-penetrating radar for use in a borehole, and field measurements are presented. Accomplishments include the underground measurement of the transmitting beam in the azimuth plane, active azimuth-steering of the transmitting beam, and the development of a range-to-target algorithm. The excellent performance of the antenna array supports the concept of a continuous-wave borehole radar. A field-prototype should be developed for use in both geothermal zones and for the exploration and recovery of oil and gas.

In this paper, the authors present a digital system requirements specification method that has demonstrated a potential for improving the completeness of requirements while reducing ambiguity. It assists with making proper digital system design decisions, including the defense against specific digital system failures modes. It also helps define the technical rationale for all of the component and interface requirements. This approach is a procedural method that abstracts key features that are expanded in a partitioning that identifies and characterizes hazards and safety system function requirements. The key system features are subjected to a hierarchy that progressively defines their detailed characteristics and components. This process produces a set of requirements specifications for the system and all of its components. Based on application to nuclear power plants, the approach described here uses two ordered domains: plant safety followed by safety system integrity. Plant safety refers to those systems defined to meet the safety goals for the protection of the public. Safety system integrity refers to systems defined to ensure that the system can meet the safety goals. Within each domain, a systematic process is used to identify hazards and define the corresponding means of defense and mitigation. In both domains, the approach and structure are focused on the completeness of information and eliminating ambiguities in the generation of safety system requirements that will achieve the plant safety goals.

Two closed form analytical solutions for tri-material thermomechanical stress and deformation, along with one-quarter section finite element model (FEM), were validated using an in-situ CMOS piezoresistive stress measurement test chip that has been repatterened into a fine pitch area array flip-chip. A special printed circuit board substrate for the test chip was designed at Sandia and fabricated by the Hadco Corp. The flip-chip solder attach (FCA) and underfill was performed by a SEMATECH member company. The measured incremental stresses produced by the underfill are reported and discussed for two underfill materials used in this experiment. Detailed comparisons between theory and experiment are presented and discussed.

This paper describes development of the conceptual and mathematical models for the part of the Waste Isolation Pilot Plant (WIPP) repository performance assessment that is concerned with what happens to the waste over long times after the repository is decommissioned. These models, collectively referred to as the {open_quotes}Disposal Room Model,{close_quotes} describe the repository closure process during which deformation of the surrounding salt consolidates the waste. First, the relationship of repository closure to demonstration of compliance with the Environmental Protection Agency (EPA) standard (40 CFR 191 Appendix C) and how sensitive performance results are to it are examined. Next, a detailed description is provided of the elements of the disposal region, and properties selected for the salt, waste, and other potential disposal features such as backfill. Included in the discussion is an explanation of how the various models were developed over time. Other aspects of closure analysis, such as the waste flow model and method of analysis, are also described. Finally, the closure predictions used in the final performance assessment analysis for the WIPP Compliance Certification Application are summarized.

This report describes the results to date of a program that was initiated to predict and measure residual stresses in Mo-Al{sub 2}O{sub 3} cermet-containing components and to develop new materials and processes that would lead to the reduction or elimination of the thermal mismatch stresses. The period of performance includes work performed CY95-97. Excessive thermal mismatch stresses had produced cracking in some cermet-containing neutron tube components. This cracking could lead to a loss of hermeticity or decreased tube reliability. Stress predictions were conducted using finite element models of the various components, along with the thermal coefficient of expansion (CTE), Young`s modulus, and strength properties. A significant portion of the program focused on the property measurements for the existing cermet materials, processing conditions, and the measurement technique. The effects of differences in the properties on the predicted residual stresses were calculated for existing designs. Several potential approaches were evaluated for reducing the residual stresses and cracking in cermet-containing parts including reducing the Mo content of the cermet, substituting a ternary alloy with a better CTE match with alumina, and substituting Nb for Mo. Processing modifications were also investigated for minimizing warpage that occurs during sintering due to differential sintering. These modifications include changing the pressing of the 94ND2 alumina and changing to a 96% alumina powder from AlSiMag.

The use of sulfuric acid based chemistries for the removal of photoresist ashing residue was investigated. Samples were prepared by ion-implanting patterned, UV-hardened photoresist. The efficacy of post-ash cleaning was determined by measuring organic, metallic, and particulate surface concentrations. Sulfuric-nitric mixtures and sulfuric-hydrogen peroxide mixtures were highly effective for the removal of metallic contaminants. Neither chemistry was very effective for particulate and organic residue. Highly effective overall cleaning was observed when a sulfuric acid based clean was followed with an RCA-type process sequence. Redundant cleans provided no additional benefits. Post-ash cleaning may be simplified by either reducing the number of sulfuric acid based cleans, or for certain post-ash applications, by replacing them with RCA-type processes.