Publications

The Statistics and Human Factors Department at SNL has evolved as the Labs' mission has evolved from engineering designs for the non-nuclear parts of nuclear weapons, including the safety and security components, to a multi-program lab focusing on national security. Twenty years ago their client base was the engineers, scientists, and managers of the nuclear weapon stockpile program, at Sandia and other facilities within the DOE complex. Client relationships developed over years of association. Components and systems were assigned to statisticians so that they could develop a knowledge base in that area. Because of the many different component types and system designs in the stockpile, they typically juggled five or six statistical projects at a time. project participation other than statistical consulting was limited. They rarely had the time to lead project teams, and any skills or inclinations in that direction were often undeveloped. This paper describes a (hit-or-miss) selection of some early and recent efforts. This paper also presents their self-assessment metrics and their external assessment metrics. These metrics were selected to track the business aspects of the department; they are systematic (not hit-or-miss). These two types of histories should allow them to judge whether we're doing the right things, and also doing things right.

Methods are discussed for computing the sensitivity of field variables to changes in material properties and initial/boundary condition parameters for heat transfer problems. The method we focus on is termed the ''Sensitivity Equation Method'' (SEM). It involves deriving field equations for sensitivity coefficients by differentiating the original field equations with respect to the parameters of interest and numerically solving the resulting sensitivity field equations. Uncertainty in the model parameters are then propagated through the computational model using results derived from first-order perturbation theory; this technique is identical to the methodology typically used to propagate experimental uncertainty. Numerical results are presented for the design of an experiment to estimate the thermal conductivity of stainless steel using transient temperature measurements made on prototypical hardware of a companion contact conductance experiment. Comments are made relative to extending the SEM to conjugate heat transfer problems.

The investigation of a complex system is often performed using computer generated response data supplemented by system and component test results where possible. Analysts rely on an efficient use of limited experimental resources to test the physical system, evaluate the models and to assure (to the extent possible) that the models accurately simulate the system order investigation. The general problem considered here is one where only a restricted number of system simulations (or physical tests) can be performed to provide additional data necessary to accomplish the project objectives. The levels of variables used for defining input scenarios, for setting system parameters and for initializing other experimental options must be selected in an efficient way. The use of computer algorithms to support experimental design in complex problems has been a topic of recent research in the areas of statistics and engineering. This paper describes a resampling based approach to form dating this design. An example is provided illustrating in two dimensions how the algorithm works and indicating its potential on larger problems. The results show that the proposed approach has characteristics desirable of an algorithmic approach on the simple examples. Further experimentation is needed to evaluate its performance on larger problems.

AerMet 100 is a high strength, high fracture toughness alloy designed for use in aerospace applications. In previous work the welding behavior of this alloy has been evaluated, and it has been shown that a softened region in the heat-affected zone (HAZ) is a principal feature of the weld zone. A model for this softening, based on classical theories of precipitate coarsening and isothermal softening data, was developed and found to provide a reasonable description for weld thermal cycle simulation (Gleeble) experiments. Recent work has shown, however, that softening in real welds is not always well predicted by this model, so that additional effects, which are not captured in conventional Gleeble thermal cycle simulations must be addressed. In particular, the stresses associated with real weld HAZ's may modify the softening kinetics. In the current work, Gleeble simulations in both stress-free and stressed conditions have been conducted and the kinetics compared. The accuracy of the thermal model predictions have also been considered regarding their impact on estimated hardness values.

The parametric grid capability of the Knowledge Base (KBase) provides an efficient robust way to store and access interpolatable information that is needed to monitor the Comprehensive Nuclear Test Ban Treaty. To meet both the accuracy and performance requirements of operational monitoring systems, we use an approach which combines the error estimation of kriging with the speed and robustness of Natural Neighbor Interpolation. The method involves three basic steps: data preparation, data storage, and data access. In past presentations we have discussed in detail the first step. In this paper we focus on the latter two, describing in detail the type of information which must be stored and the interface used to retrieve parametric grid data from the Knowledge Base. Once data have been properly prepared, the information (tessellation and associated value surfaces) needed to support the interface functionality, can be entered into the KBase. The primary types of parametric grid data that must be stored include (1) generic header information; (2) base model, station, and phase names and associated ID's used to construct surface identifiers; (3) surface accounting information; (4) tessellation accounting information; (5) mesh data for each tessellation; (6) correction data defined for each surface at each node of the surfaces owning tessellation (7) mesh refinement calculation set-up and flag information; and (8) kriging calculation set-up and flag information. The eight data components not only represent the results of the data preparation process but also include all required input information for several population tools that would enable the complete regeneration of the data results if that should be necessary.

This work is an attempt to elucidate effects that may limit efficiency in magnetrons operated at relativistic voltages (V {approximately} 500 kV). Three-dimensional particle-in-cell simulation is used to investigate the behavior of 14 and 22 cavity, cylindrical, rising-sun magnetrons. Power is extracted radially through a single iris located at the end of every other cavity. Numerical results show that in general output power and efficiency increase approximately linearly with increasing iris width (decreasing vacuum Q) until the total Q becomes too low for stable oscillation in the n-mode to be maintained. Beyond this point mode competition and/or switching occur and efficiency decreases. Results reveal that the minimum value of Q (maximum efficiency) that can be achieved prior to the onset of mode competition is significantly affected by the magnitude of the 0-space-harmonic of the {pi}-mode, a unique characteristic of rising-suns, and by the magnitude of the electron current density (space-charge effects). By minimizing these effects, up to 3.7 GW output power has been produced at an efficiency of 40%.

The incorporation of vacancies, H atoms, and sp{sup 2} bond defects into single-crystal homoepitaxial (100)(2x1)- and(111)-oriented CVD diamond was simulated by atomic-scale kinetic Monte Carlo. Simulations were performed for substrate temperatures from 600 C to 1200 C with 0.4% CH{sub 4} in the feed gas, and for 0.4% to 7% CH{sub 4} feeds with a substrate temperature of 800 C. The concentrations of incorporated H atoms increase with increasing substrate temperature and feed gas composition, and sp{sup 2} bond trapping increases with increasing feed gas composition. Vacancy concentrations are low under all conditions. The ratio of growth rate to H atom concentration is highest around 800-900 C, and the growth rate to sp{sup 2} ratio is maximum around 1% CH{sub 4}, suggesting that these conditions are ideal for economical diamond growth under the simulated conditions.

Abstract not provided.

Under both static and common MAS conditions (< 15 kHz) the question of residual X-Y heteronuclear decoupling can become a complicating factor in the analysis of various NMR results. In our lab the impact of {sup 31}P-{sup 23}Na dipolar coupling on the observed {sup 23}Na M{sub 2} relaxation for a series of sodium phosphate glasses was recently investigated by employing continuous wave {sup 31}P decoupling during the entire pulse sequence. Initially these efforts were complicate by the inability to provide a gating pulse during the data acquisition using the standard Bruker nomenclature, go=2, for the acquisition loop. A pulse sequence to overcome these restrictions is given below. Our AMX400 instrument is configured with a 3 channel MCI, but utilizes a linear AMT amplifier on the 3rd channel (requiring gating pulse via the C4 program call during the entire time it is on). The standard acquisition loop has been replaced by direct adc and aq commands for data acquisition. Unlike the go=2 statement which does not allow a C4 gating command to be included, these individual acquisition commands can all include distinct C4 gating.

ZX is a new z-pinch accelerator planned as the next generation z-pinch driver at SNL, and as an intermediate step towards X-1. It is planned to drive either a single 50 MA z-pinch load, or two 25 to 30 MA z pinches. Three designs for the ZX accelerator are presented. All require 7 to 8 MV at the insulator stack to drive the z-pinch load to implosion in 100 to 120 ns. Two of the designs are based on the Z accelerator, and use water-line technology; a transit-time-isolated water adder, and a water transformer. The third design uses inductive-voltage adders in water. They also describe a low-inductance insulator stack design that helps minimize voltage requirements. This design is evaluated for water and vacuum break-down using JCM, THM, and magnetic-flashover-inhibition criteria.

The Z-accelerator at the Sandia National Laboratories (SNL) was modified in 1996 to deliver a 20 MA pulse to a z-pinch load in 100 ns. The pulsed-power driver is a 36-module waterline accelerator. Each waterline contains four self-break switches as part of the pulse-forming section. A study was conducted to investigate the effects of increasing the capacitance of the waterline switches on the shape of the electrical prepulse at the load. Past studies have shown that increasing the prepulse at the z-pinch load increases the x-ray output power. In this study, one set of switches with its surrounding waterline hardware was modeled in 3-D and capacitance calculated using the electrostatic code, COULOME. The capacitance values were used in a SCREAMER model of the Z-accelerator. SCREAMER an SNL developed, lumped-element circuit code was used to calculate the time-dependent current waveforms delivered to the z-pinch load. The design was changed and a new capacitance matrix and output waveforms were calculated. This paper presents the results of the COULOMB 3-D modeling, and the SCREAMER circuit-model analyses.

A suite of plate loading tests has recently been conducted by Sandia National Laboratories at the Exploratory Studies Facility at Yucca Mountain, Nevada. Fielding of these in situ tests as well as other approaches undertaken for the determination of rock mass modulus are described. The various methodologies are evaluated and their data compared. Calculation by existing empirical methods and numerical modeling are compared to each other as well as to field data.

Stress measurement test chips were flip chip assembled to organic BGA substrates containing micro-vias and epoxy build-up interconnect layers. Mechanical degradation observed during temperature cycling was correlated to a damage theory developed based on 3D finite element method analysis. Degradation included die cracking, edge delamination and radial fillet cracking.

We discuss the design and testing of a miniaturized explosives preconcentrator that can be used to enhance the capabilities of man-portable field detection systems, such as those based on ion mobility spectrometry (IMS). The preconcentrator is a smaller version of a similar device that was developed recently at Sandia National Laboratories for use in a trace detection portal that screens personnel for explosives. Like its predecessor, this preconcentrator is basically a filtering device that allows a small amount of explosive residue in a large incoming airflow to be concentrated into a much smaller air volume via adsorption and resorption, prior to delivery into a chemical detector. We discuss laboratory testing of this preconcentrator interfaced to a commercially available IMS-based detection system, with emphasis on the explosives 2,4,6-trinitrotoluene (TNT) and cyclotrimethylenetrinitramine (RDX). The issues investigated include optimization of the preconcentrator volume and inlet airflow, the use of different types of adsorbing surfaces within the preconcentrator, Wd preconcentrator efficiency and concentration factor. We discuss potential field applications of the preconcentrator, as well as avenues for further investigations and improvements.

A portable, autonomous, hand-held chemical laboratory ({mu}ChemLab{trademark}) is being developed for trace detection (ppb) of chemical warfare (CW) agents and explosives in real-world environments containing high concentrations of interfering compounds. Microfabrication is utilized to provide miniature, low-power components that are characterized by rapid, sensitive and selective response. Sensitivity and selectivity are enhanced using two parallel analysis channels, each containing the sequential connection of a front-end sample collector/concentrator, a gas chromatographic (GC) separator, and a surface acoustic wave (SAW) detector. Component design and fabrication and system performance are described.

During the development and qualification of a radiation-hardened, 0.5 {micro}m shallow trench isolation technology, several yield-limiting defects were observed. The 256K (32K x 8) static-random access memories (SRAMs) used as a technology characterization vehicle had elevated power supply current during wafer probe testing. Many of the die sites were functional, but exhibited quiescent power supply current (I{sub DDQ}) in excess of 100 {micro}A, the present limit for this particular SRAM. Initial electrical analysis indicated that many of the die sites exhibited unstable I{sub DDQ} that fluctuated rapidly. We refer to this condition as ''jitter.'' The I{sub DDQ} jitter appeared to be independent of temperature and predominantly associated with the larger 256K SRAMs and not as prevalent in the 16K SRAMs (on the same reticle set). The root cause of failure was found to be two major processing problems: salicide bridging and stress-induced dislocations in the silicon islands.

As information systems have become distributed over many computers within the enterprise, managing those applications has become increasingly important. This is an emerging area of work, recognized as such by many large organizations as well as many start-up companies. In this report, we present a summary of the move to distributed applications, some of the problems that came along for the ride, and some specific examples of the tools and techniques we have used to analyze distributed applications and gain some insight into the mechanics and politics of distributed computing.

A description and user's guide are given for a computer program, PATTRN, developed at Sandia National Laboratories for use in sensitivity analyses of complex models. This program is intended for use in the analysis of input-output relationships in Monte Carlo analyses when the input has been selected using random or Latin hypercube sampling. Procedures incorporated into the program are based upon attempts to detect increasingly complex patterns in scatterplots and involve the detection of linear relationships, monotonic relationships, trends in measures of central tendency, trends in measures of variability, and deviations from randomness. The program was designed to be easy to use and portable.

This report documents the history of Building 828 in Sandia National Laboratories' Technical Area I. Building 828 was constructed in 1946 as a mechanical test laboratory for Los Alamos' Z-Division (later Sandia) as it moved to Sandia Base. The building has undergone significant remodeling over the years and has had a variety of occupants. The building was evaluated in compliance with the National Historic Preservation Act, but was not eligible for the National Register of Historic Places. Nevertheless, for many Labs employees, it was a symbol of Sandia's roots in World War II and the Manhattan Project.

A major cause of semiconductor yield degradation is contaminant particles that deposit on wafers while they reside in processing tools during integrated circuit manufacturing. This report presents numerical models for assessing particle transport and deposition in a parallel-plate geometry characteristic of a wide range of single-wafer processing tools: uniform downward flow exiting a perforated-plate showerhead separated by a gap from a circular wafer resting on a parallel susceptor. Particles are assumed to originate either upstream of the showerhead or from a specified position between the plates. The physical mechanisms controlling particle deposition and transport (inertia, diffusion, fluid drag, and external forces) are reviewed, with an emphasis on conditions encountered in semiconductor process tools (i.e., sub-atmospheric pressures and submicron particles). Isothermal flow is assumed, although small temperature differences are allowed to drive particle thermophoresis. Numerical solutions of the flow field are presented which agree with an analytic, creeping-flow expression for Re < 4. Deposition is quantified by use of a particle collection efficiency, which is defined as the fraction of particles in the reactor that deposit on the wafer. Analytic expressions for collection efficiency are presented for the limiting case where external forces control deposition (i.e., neglecting particle diffusion and inertia). Deposition from simultaneous particle diffusion and external forces is analyzed by an Eulerian formulation; for creeping flow and particles released from a planar trap, the analysis yields an analytic, integral expression for particle deposition based on process and particle properties. Deposition from simultaneous particle inertia and external forces is analyzed by a Lagrangian formulation, which can describe inertia-enhanced deposition resulting from particle acceleration in the showerhead. An approximate analytic expression is derived for particle velocity at the showerhead exit as a function of showerhead geometry, flow rate, and gas and particle properties. The particle showerhead-exit velocity is next used as an initial condition for particle transport between the plates to determine whether the particle deposits on the wafer, as a function of shower-head-exit particle velocity, the plate separation, flow rate, and gas and particle properties. Based on the numerical analysis, recommendations of best practices are presented that should help tool operators and designers reduce particle deposition in real tools. These guidelines are not intended to replace detailed calculations, but to provide the user with a general feel for inherently-clean practices.

This LDRD project explored the fundamental physics of a new class of photonic materials, photonic bandgap structures (PBG), and examine its unique properties for the design and implementation of photonic devices on a nano-meter length scale for the control and confinement of light. The low loss, highly reflective and quantum interference nature of a PBG material makes it one of the most promising candidates for realizing an extremely high-Q resonant cavity, >10,000, for optoelectronic applications and for the exploration of novel photonic physics, such as photonic localization, tunneling and modification of spontaneous emission rate. Moreover, the photonic bandgap concept affords us with a new opportunity to design and tailor photonic properties in very much the same way we manipulate, or bandgap engineer, electronic properties through modern epitaxy.

A database of mechanical properties for weldment fusion and heat-affected zones was established for AerMet{reg_sign}100 alloy, and a study of the welding metallurgy of the alloy was conducted. The properties database was developed for a matrix of weld processes (electron beam and gas-tungsten arc) welding parameters (heat inputs) and post-weld heat treatment (PWHT) conditions. In order to insure commercial utility and acceptance, the matrix was commensurate with commercial welding technology and practice. Second, the mechanical properties were correlated with fundamental understanding of microstructure and microstructural evolution in this alloy. Finally, assessments of optimal weld process/PWHT combinations for cotildent application of the alloy in probable service conditions were made. The database of weldment mechanical properties demonstrated that a wide range of properties can be obtained in welds in this alloy. In addition, it was demonstrated that acceptable welds, some with near base metal properties, could be produced from several different initial heat treatments. This capability provides a means for defining process parameters and PWHT's to achieve appropriate properties for different applications, and provides useful flexibility in design and manufacturing. The database also indicated that an important region in welds is the softened region which develops in the heat-affected zone (HAZ) and analysis within the welding metallurgy studies indicated that the development of this region is governed by a complex interaction of precipitate overaging and austenite formation. Models and experimental data were therefore developed to describe overaging and austenite formation during thermal cycling. These models and experimental data can be applied to essentially any thermal cycle, and provide a basis for predicting the evolution of microstructure and properties during thermal processing.

The original scope of the project was to research improvements to the processes and materials used in the manufacture of wood-epoxy blades, conduct tests to qualify any new material or processes for use in blade design and subsequently build and test six blades using the improved processes and materials. In particular, ABM was interested in reducing blade cost and improving quality. In addition, ABM needed to find a replacement material for the mature Douglas fir used in the manufacturing process. The use of mature Douglas fir is commercially unacceptable because of its limited supply and environmental concerns associated with the use of mature timber. Unfortunately, the bankruptcy of FloWind in June 1997 and a dramatic reduction in AWT sales made it impossible for ABM to complete the full scope of work. However, sufficient research and testing were completed to identify several promising changes in the blade manufacturing process and develop a preliminary design incorporating these changes.

This report presents an implementation of the Berlekamp-Massey linear feedback shift-register (LFSR) synthesis algorithm in the C programming language. Two pseudo-code versions of the code are given, the operation of LFSRs is explained, C-version of the pseudo-code versions is presented, and the output of the code, when run on two input samples, is shown.

Decontamination of radioactive contaminated stainless steel using the ESR process is investigated by conducting thermophysical and thermochemical laboratory studies on the slag. The ESR base slag investigated in this research project is 60wt%CaF{sub 2}-20wt%CaO-20wt%Al{sub 2}O{sub 3}. In this report, we present the data obtained to date on relevant slag properties, capacity to incorporate the radioactive contaminant (using CeO{sub 3}) as surrogate, simulant for PUO{sub 2} and UO{sub 2}, slag-metal partition coefficient, volatilization rate and volatile species, viscosity, electrical conductivity and surface tension as a function of temperature. The impact of these properties on the ESR decontamination process is presented.