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STM measurements of the interaction of vacancies and steps during low-energy-ion bombardment of Si(001)

Swartzentruber, Brian S.

We create mobile surface vacancies on vicinal Si(001) by bombarding the surface with 300 eV Xe ions at a substrate temperature of 465{degrees}C. The vacancies preferentially annihilate at the rough steps retracting them with respect to their smooth neighbors. This process leads to a bimodal terrace width distribution. The retraction of the rough steps due to the vacancy annihilation is in competition with the healing process by which the surface tries to maintain its equilibrium configuration of equally spaced steps. As the two competing processes balance, the surface reaches steady state and subsequent removal of surface atoms is manifest as simple step flow.

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Minutes of the fourth annual workshop on chromate replacements in light metal finishing

Guilinger, Terry R.

The purpose of publishing the minutes of this workshop is to document the content of the presentations and the direction of the discussions at the workshop as a means of fostering collaborative research and development on chromate replacements throughout the defense, automotive, aerospace, and packaging industries. The goal of the workshop was to bring together coating researchers, developers, and users from a variety of industries to discuss new coating ideas, testing methods, and coating preparation techniques from the perspective not only of end user, but also from the perspective of coating supplier, developer, and researcher. To this end, we succeeded because of the wide-ranging interests of attendees present in the more than 60 workshop registrants. It is our hope that future workshops, not only this one but others like it throughout government and industry, can benefit from the recorded minutes of our meeting and use them as a starting point for future discussions of the directions for chromate replacements in light metal finishing.

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Numerical simulations of multicomponent evaporation and gas-phase transport experiments using M{sup 2}NOTS

Ho, Clifford K.

The multiphase, multicomponent, non-isothermal simulator M2NOTS was tested against several one-dimensional experiments. The experiments represented limiting conditions of soil venting processes: (1) a through-flow condition in which air flows through the contaminated region, and (2) a bypass-flow condition in which air is channeled around (rather than through) the contaminated region. Predictions using M2NOTS of changing in situ compositions and effluent concentrations for toluene and o-xylene mixtures were compared to the observed results for each condition. Results showed that M2NOTS was able to capture the salient trends and features of multicomponent through-flow and bypass-flow venting processes.

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On bootstrapping local search with trail-markers

Chen, Pang C.

We identify a general framework for search called bootstrap search, which is defined as global search using only a local search procedure along with some memory for learning intermediate subgoals. We present a simple algorithm for bootstrap search, and provide some initial theory on their performance. In our theoretical analysis, we develop a random digraph problem model and use it to make some performance predictions and comparisons. We also use it to provide some techniques for approximating the optimal resource bound on the local search to achieve the best global search. We validate our theoretical results with empirical demonstration on the 15-puzzle. We show how to reduce the cost of a global search by 2 orders of magnitude using bootstrap search. We also demonstrate a natural but not widely recognized connection between search costs and the lognormal distribution. To further illustrate our algorithm`s generality and effectiveness, we also apply it to robot path planning, and demonstrate a phenomenon of over-learning.

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xdamp: An IDL{reg_sign}-based Data Manipulation Program

Ballard, William P.

The original DAMP (DAta Manipulation Program) was written by Mark Hedemann of Sandia National Laboratories and used the CA-DISSPLA{trademark} (available from Computer Associates International, Inc., Garden City, NY) graphics package as its engine. It was used to plot, modify, and otherwise manipulate the one-dimensional data waveforms (data vs time) from a wide variety of accelerators. With the waning of CA-DISSPLA and the increasing popularity of UNIX{reg_sign}-based workstations, a replacement was needed. This package uses the IDL{reg_sign} software, available from Research Systems Incorporated in Boulder, Colorado, as the engine, and creates a set of widgets to manipulate the data in a manner similar to the original DAMP. IDL is currently supported on a wide variety of UNIX platforms such as IBM{reg_sign} workstations, Hewlett Packard workstations, SUN{reg_sign} workstations, Microsoft{reg_sign} Windows{trademark} computers, Macintosh{reg_sign} computers and Digital Equipment Corporation VMS{reg_sign} systems. Thus, this program should be portable across many platforms. We have verified operation, albeit with some IDL bugs, on IBM UNIX platforms, DEC Alpha systems, HP 9000/7OO series workstations, and Macintosh computers, both regular and PowerPC{trademark} versions.

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PINCA: A scalable parallel program for compressible gas dynamics with nonequilibrium chemistry

Wong, C.C.; Blottner, F.G.; Payne, J.L.; Soetrisno, M.; Imlay, S.T.

This report documents an exploratory research work, funded by the Laboratory Directed Research and Development (LDRD) office at Sandia National Laboratories, to develop an advanced, general purpose, robust compressible flow solver for handling large, complex, chemically reacting gas dynamics problems. The deliverable of this project, a computer program called PINCA (Parallel INtegrated Computer Analysis) will run on massively parallel computers such as the Intel/Gamma and Intel/Paragon. With the development of this parallel compressible flow solver, engineers will be better able to address large three-dimensional scientific arid engineering problems involving multi-component gas mixtures with finite rate chemistry. These problems occur in high temperature industrial processes, combustion, and hypersonic: reentry of space-crafts.

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Globally stable feedback laws for near-minimum-fuel and near-minimum-time pointing maneuvers for a landmark-tracking spacecraft

Schaub, H.; Robinett, R.D.; Junkins, J.L.

Utilizing unique properties of a recently developed set of attitude parameters, the modified Rodrigues parameters, we develop feedforward/feedback type control laws that globally control a spacecraft undergoing large nonlinear motions, using three or more reaction wheels. The method is suitable for tracking given smooth reference trajectories that spline smoothly into a target slate or pure spin motion; these reference trajectories may be exact or approximate solutions of the system equations of motion. In particular, we illustrate the ideas using both near-minimum-time and near-minimum fuel rotations about Euler`s principal rotation axis, with parameterization of the sharpness of the control switching for each class of reference maneuvers. Lyapunov stability theory is used to prove rigorous stability of closed loop motion in the end game, and qualified Lyapunov stability during the large nonlinear path tracking portion of the closed loop tracking error dynamics. The methodology is illustrated by designing example control laws for a prototype landmark tracking spacecraft; simulations are reported that show this approach to be attractive for practical applications. The inputs to the reference trajectory are designed with user-controlled sharpness of all control switches, to enhance the trackability of the reference maneuvers in the presence of structural flexibility.

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Observations and insights from low power and shutdown studies: Grand Gulf Nuclear Power Plant during POS 5 of a refueling outage

Whitehead, Donnie W.

With the recent completion of the documentation of the results from the Grand Gulf Nuclear Power Plant Low Power and Shutdown (LP and S) project funded by the US Nuclear Regulatory Commission (NRC), detailed probabilistic risk assessment (PRA) information from a boiling water reactor (BWR) for a specific time period in LP and S conditions became available for examination. This report contains observations and insights extracted from an examination of: (1) results in the LP and S documentation; (2) the specific models and assumptions used in the LP and S analyses; (3) selected results from the full-power analysis; (4) the experience of the analysts who performed the original LP and S study; and (5) results from sensitivity calculations performed as part of this project to help determine the impact that model assumptions and data values had on the results from the original LP and S analysis. Specifically, this study makes observations on and develops insights from the estimates of core damage frequency and aggregate risk (early fatalities and total latent cancer fatalities) associated with operations during plant operational state (POS) 5 (i.e., basically cold shutdown as defined by Technical Specifications) during a refueling outage for traditional internal events. A discussion of similarities and differences between full power accidents and accidents during LP and S conditions is provided. As part of this discussion, core damage frequency and risks results are presented on a per hour and per calendar year basis, allowing alternative perspectives on both the core damage frequency and risk associated with these two operational states.

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Electron beam joining of structural ceramics

Turman, Bobby N.

Feasibility of ceramic joining using a high energy (10 MeV) electron beam. The experiments used refractory metals as bonding materials in buried interfaces between Si{sub 3}N{sub 4} pieces. Because the heat capacity of the metal bonding layer is much lower than the ceramic, the metal reaches much higher temperatures than the adjoining ceramic. Using the right combination of beam parameters allows the metal to be melted without causing the adjoining ceramics to melt or decompose. Beam energy deposition and thermal simulations were performed to guide the experiments. Joints were shear tested and interfaces between the metal and the ceramic were examined to identify the bonding mechanism. Specimens joined by electron beams were compared to specimens produced by hot-pressing. Similar reactions occurred using both processes. Reactions between the metal and ceramic produced silicides that bond the metal to the ceramic. The molybdenum silicide reaction products appeared to be more brittle than the platinum silicides. Si{sub 3}N{sub 4} was also joined to Si{sub 3} N{sub 4} directly. The bonding appears to have been produced by the flow of intergranular glass into the interface. Shear strength was similar to the metal bonded specimens. Bend specimens Of Si{sub 3}N{sub 4} were exposed to electron beams with similar parameters to those used in joining experiments to determine how beam exposure degrades the strength. Damage was macroscopic in nature with craters being tonned by material ablation, and cracking occurring due to excessive thermal stresses. Si was also observed on the surface indicating the Si{sub 3}N{sub 4} was decomposing. Bend strength after exposure was 62% of the asreceived strength. No obvious microstructural differences were observed in the material close to the damaged region compared to material in regions far away from the damage.

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Design rules and reality check for carbon-based ultracapacitors

Eisenmann, E.T.

Design criteria for carbon-based Ultracapacitors have been determined for specified energy and power requirements, using the geometry of the components and such material properties as density, porosity and conductivity as parameters, while also considering chemical compatibility. This analysis shows that the weights of active and inactive components of the capacitor structure must be carefully balanced for maximum energy and power density. When applied to nonaqueous electrolytes, the design rules for a 5 Wh/kg device call for porous carbon with a specific capacitance of about 30 F/cm{sup 3}. This performance is not achievable with pure, electrostatic double layer capacitance. Double layer capacitance is only 5 to 30% of that observed in aqueous electrolyte. Tests also showed that nonaqeous elcctrolytes have a diminished capability to access micropores in activated carbon, in one case yielding a capacitance of less than 1 F/cm{sup 3} for carbon that had 100 F/cm{sup 3} in aqueous electrolyte. With negative results on nonaqueous electrolytes dominating the present study, the obvious conclusion is to concentrate on aqueous systems. Only aqueous double layer capacitors offer adequate electrostatic charging characteristics which is the basis for high power performance. There arc many opportunities for further advancing aqueous double layer capacitors, one being the use of highly activated carbon films, as opposed to powders, fibers and foams. While the manufacture of carbon films is still costly, and while the energy and power density of the resulting devices may not meet the optimistic goals that have been proposed, this technology could produce true double layer capacitors with significantly improved performance and large commercial potential.

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Learning to improve path planning performance

Chen, Pang C.

In robotics, path planning refers to finding a short. collision-free path from an initial robot configuration to a desired configuratioin. It has to be fast to support real-time task-level robot programming. Unfortunately, current planning techniques are still too slow to be effective, as they often require several minutes, if not hours of computation. To remedy this situation, we present and analyze a learning algorithm that uses past experience to increase future performance. The algorithm relies on an existing path planner to provide solutions to difficult tasks. From these solutions, an evolving sparse network of useful robot configurations is learned to support faster planning. More generally, the algorithm provides a speedup-learning framework in which a slow but capable planner may be improved both cost-wise and capability-wise by a faster but less capable planner coupled with experience. The basic algorithm is suitable for stationary environments, and can be extended to accommodate changing environments with on-demand experience repair and object-attached experience abstraction. To analyze the algorithm, we characterize the situations in which the adaptive planner is useful, provide quantitative bounds to predict its behavior, and confirm our theoretical results with experiments in path planning of manipulators. Our algorithm and analysis are sufficiently, general that they may also be applied to other planning domains in which experience is useful.

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System identification for robust control design

Dohner, Jeffrey L.

System identification for the purpose of robust control design involves estimating a nominal model of a physical system and the uncertainty bounds of that nominal model via the use of experimentally measured input/output data. Although many algorithms have been developed to identify nominal models, little effort has been directed towards identifying uncertainty bounds. Therefore, in this document, a discussion of both nominal model identification and bounded output multiplicative uncertainty identification will be presented. This document is divided into several sections. Background information relevant to system identification and control design will be presented. A derivation of eigensystem realization type algorithms will be presented. An algorithm will be developed for calculating the maximum singular value of output multiplicative uncertainty from measured data. An application will be given involving the identification of a complex system with aliased dynamics, feedback control, and exogenous noise disturbances. And, finally, a short discussion of results will be presented.

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Petroleum and geothermal production technology in Russia: Summary of information obtained during informational meetings with several Russian Institutes

Schafer, D.M.; Glowka, D.A.; Teufel, L.W.

Russian scientists and engineers have drilled the deepest holes in the world. It is recognized that this experience has given them an expertise in drilling superdeep holes, as well as other aspects of drilling, completions, and geophysics. More and more US oil and gas companies are vigorously expanding their exploration and development into Russia. It is important for them to identify and use Russian technology in drilling, completion, logging, and reservoir characterization to the extent possible, in order to both reduce drilling costs and help support the Russian economy. While these US companies are interested in becoming involved in and/or sponsoring research in Russia, they have been unsure as to which scientists and institutes are working on problems of interest. It was also important to determine in which areas Russian technology is farther advanced than in the West. Such technology could then be commercialized as part of the Industrial Partnering Program. In order to develop a clear understanding of these issues, two Sandia engineers with drilling and completions expertise and a geophysicist with expertise in reservoir analysis traveled to Russia to meet with Russian scientists and engineers to discuss their technologies and areas of interest. This report contains a summary of the information obtained during the visit.

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Historical and projected costs of natural disasters

Engi, Dennis E.

Natural disasters cause billions of dollars of damage and thousands Of deaths globally each year. While the magnitude is clear, the exact costs (in damage and fatalities) are difficult to clearly identify. This document reports on the results of a survey of data on the costs associated with significant natural disasters. There is an impressive amount of work and effort going into natural disaster research, mitigation, and relief. However, despite this effort, there are surprisingly few consistent and reliable data available regarding the effects of natural disasters. Even lacking consistent and complete data, it is clear that the damage and fatalities from natural disasters are increasing, both in the United States, and globally. Projections using the available data suggest that, in the United States alone, the costs of natural disasters between 1995 and 2010 will be in the range of $90 billion (94$) and 5000 lives.

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Off site demonstrations for MWLID technologies

Williams, Cecelia V.

Open demonstrations of technologies developed by the Office of Technology Development`s (QTD`s) Mixed Waste Landfill Integrated Demonstration (MWLID) should facilitate regulatory acceptance and speed the transfer and commercialization of these technologies. The purpose of the present project is to identify the environmental restoration needs of hazardous waste and/or mixed waste landfill owners within a 25-mile radius of Sandia National Laboratories (SNL). Most municipal landfills that operated prior to the mid-1980s accepted household/commercial hazardous waste and medical waste that included low-level radioactive waste. The locations of hazardous and/or mixed waste landfills within the State of New Mexico were. identified using federal, state, municipal and Native American tribal environmental records. The records reviewed included the US Environmental Protection Agency (EPA) Superfund Program CERCLIS Event/Site listing (which includes tribal records), the New Mexico Environment Department (NMED), Solid Waste Bureau mixed waste landfill database, and the City of Albuquerque Environmental Health Department landfill database. Tribal envirorunental records are controlled by each tribal government, so each tribal environmental officer and governor was contacted to obtain release of specific site data beyond what is available in the CERCLIS listings.

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Analysis of the frequency response of a TeO{sub 2} slow shear wave acousto-optic cell exposed to radiation

Erteza, Ireena A.

Radiation testing of photonic components is not new, however component level testing to date has not completely addressed quantities which are important to system behavior. One characteristic that is of particular importance for optical processing systems is the frequency response. In this report, we present the analysis of data from an experiment designed to provide a preliminary understanding of the effects of radiation on the frequency response of acousto-optic devices. The goal of the analysis is to describe possible physical mechanisms responsible for the radiation effects and to discuss the effects on signal processing functionality. The experiment discussed in this report was designed by Sandia National Laboratories and performed by Sandia and Phillips Laboratory personnel at White Sands Missile Range (WSMR). In the experiment, a TeO{sub 2} slow shear wave acousto-optic cell was exposed to radiation from the WSMR linear accelerator. The TeO{sub 2} cell was placed in an experimental configuration which allowed swept frequency diffracted power measurements to be taken during radiation exposure and recovery. A series of exposures was performed. Each exposure consisted of between 1 to 800, 1{mu}sec radiation pulses (yielding exposures of 2.25 kRad(Si) to 913 kRad(Si)), followed by recovery time. At low total and cumulative doses, the bandshape of the frequency response (i.e. diffracted power vs. frequency) remained almost identical during and after radiation. At the higher exposures, however, the amplitude and width of the frequency response changed as the radiation continued, but returned to the original shape slowly after the radiation stopped and recovery proceeded. It is interesting to note that the location of the Bragg degeneracy does not change significantly with radiation. In this report, we discuss these effects from the perspective of anisotropic Bragg diffraction and momentum mismatch, and we discuss the effect on the signal processing functionality.

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Annotated bibliography National Environmental Policy Act (NEPA) documents for Sandia National Laboratories

Harris, Joan M.

The following annotated bibliography lists documents prepared by the Department of Energy (DOE), and predecessor agencies, to meet the requirements of the National Environmental Policy Act (NEPA) for activities and facilities at Sandia National Laboratories sites. For each NEPA document summary information and a brief discussion of content is provided. This information may be used to reduce the amount of time or cost associated with NEPA compliance for future Sandia National Laboratories projects. This summary may be used to identify model documents, documents to use as sources of information, or documents from which to tier additional NEPA documents.

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Electrophoretically-deposited solid film lubricants

Dugger, Michael T.

An aqueous-based process that uses electrophoresis to attract powdered lubricant in suspension to a charged target was developed. The deposition process yields coatings with low friction, complies with environmental safety regulations, requires minimal equipment, and has several advantages over processes involving organic binders or vacuum techniques. This work focuses on development of the deposition process, includes an analysis of the friction coefficient of the material in sliding contact with stainless steel under a range of conditions, and a functional evaluation of coating performance in a precision mechanical device application. Results show that solid lubricant films with friction coefficients as low as 0.03 can be produced. A 0.03 friction coefficient is superior to solid lubricants with binder systems and is comparable to friction coefficients generated with more costly vacuum techniques.

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An optically-triggered semiconductor switch for high power laser beams

Chow, Weng W.

The work involves research leading to an optically triggered switch for a high power laser pulse. The switch uses a semiconductor heterostructure whose optical properties are modified by a low power laser trigger such as a laser diode. Potential applications include optical control of pulsed power systems, control of medical lasers and implementation of security features in optical warhead architectures.

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Velocity boundary conditions for vorticity formulations of the incompressible Navier-Stokes equations

Kempka, Steven N.

formulation to satisfy velocity boundary conditions for the vorticity form of the incompressible, viscous fluid momentum equations is presented. The tangential and normal components of the velocity boundary condition are satisfied simultaneously by creating vorticity adjacent to boundaries. The newly created vorticity is determined using a kinematical formulation which is a generalization of Helmholtz` decomposition of a vector field. Though it has not been generally recognized, these formulations resolve the over-specification issue associated with creating voracity to satisfy velocity boundary conditions. The generalized decomposition has not been widely used, apparently due to a lack of a useful physical interpretation. An analysis is presented which shows that the generalized decomposition has a relatively simple physical interpretation which facilitates its numerical implementation. The implementation of the generalized decomposition is discussed in detail. As an example the flow in a two-dimensional lid-driven cavity is simulated. The solution technique is based on a Lagrangian transport algorithm in the hydrocode ALEGRA. ALEGRA`s Lagrangian transport algorithm has been modified to solve the vorticity transport equation and the generalized decomposition, thus providing a new, accurate method to simulate incompressible flows. This numerical implementation and the new boundary condition formulation allow vorticity-based formulations to be used in a wider range of engineering problems.

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Dynamic pulse buckling of cylindrical shells under axial impact: A comparison of 2D and 3D finite element calculations with experimental data

Hoffman, Edward L.

A series of tests investigating dynamic pulse buckling of a cylindrical shell under axial impact is compared to several 2D and 3D finite element simulations of the event. The purpose of the work is to investigate the performance of various analysis codes and element types on a problem which is applicable to radioactive material transport packages, and ultimately to develop a benchmark problem to qualify finite element analysis codes for the transport package design industry. Four axial impact tests were performed on 4 in-diameter, 8 in-long, 304 L stainless steel cylinders with a 3/16 in wall thickness. The cylinders were struck by a 597 lb mass with an impact velocity ranging from 42.2 to 45.1 ft/sec. During the impact event, a buckle formed at each end of the cylinder, and one of the two buckles became unstable and collapsed. The instability occurred at the top of the cylinder in three tests and at the bottom in one test. Numerical simulations of the test were performed using the following codes and element types: PRONTO2D with axisymmetric four-node quadrilaterals; PRONTO3D with both four-node shells and eight-node hexahedrons; and ABAQUS/Explicit with axisymmetric two-node shells and four-node quadrilaterals, and 3D four-node shells and eight-node hexahedrons. All of the calculations are compared to the tests with respect to deformed shape and impact load history. As in the tests, the location of the instability is not consistent in all of the calculations. However, the calculations show good agreement with impact load measurements with the exception of an initial load spike which is proven to be the dynamic response of the load cell to the impact. Finally, the PRONIT02D calculation is compared to the tests with respect to strain and acceleration histories. Accelerometer data exhibited good qualitative agreement with the calculations. The strain comparisons show that measurements are very sensitive to gage placement.

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Characterization of polyurethane systems which contain low levels of free TDI

Thomas, Edward V.

EN-7, EN-8, and EN-9 are polyurethane systems that are used in numerous applications in the Department of Energy complex. These systems contain high levels of toluene diisocyanate (TDI). Currently, TDI is being treated as a suspect human carcinogen within the Department of Energy complex. This report documents the results of a material characterization study of three polyurethane systems that contain low levels of free (potentially airborne) TDI. The characterization has been accomplished by performing a set of statistically designed experiments. The purpose of these experiments is to explore the effects of formulation and cure schedule on various material properties. In general, the material properties (pot life, glass transition temperature, hardness, and tear strength) were relatively insensitive to variation in the cure schedule. On the other hand, variation in curative level had measurable effects on material properties for the polyurethane systems studied. Furthermore, the material properties of the three low-free-TDI polyurethane systems were found to be comparable or superior (for certain curative levels) to commonly-used polyurethane systems. Thus, these low-free-TDI systems appear to be viable candidates for applications where a polyurethane is needed.

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DOE`s planning process for mixed low-level waste disposal

Chu, Sze-Tai Y.

A disposal planning process was established by the Department of Energy (DOE) Mixed Low-Level Waste (MLLW) Disposal Workgroup. The process, jointly developed with the States, includes three steps: site-screening, site-evaluation, and configuration study. As a result of the screening process, 28 sites have been eliminated from further consideration for MLLW disposal and 4 sites have been assigned a lower priority for evaluation. Currently 16 sites are being evaluated by the DOE for their potential strengths and weaknesses as MLLW disposal sites. The results of the evaluation will provide a general idea of the technical capability of the 16 disposal sites; the results can also be used to identify which treated MLLW streams can be disposed on-site and which should be disposed of off-site. The information will then serve as the basis for a disposal configuration study, which includes analysis of both technical as well as non-technical issues, that will lead to the ultimate decision on MLLW disposal site locations.

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Multivariate classification of BPSG thin films using Mahalanobis distances

Haaland, David M.

Infrared absorption spectra of borophosphosilicate glass (BPSG) thin films were collected to develop a rapid classification method for determining if the films are within the desired specifications. Classification of samples into good and bad categories was performed using principal component analysis applied to the spectra. Mahalanobis distances were used as the classification metric. The highest overall percentage of correct classification of samples based upon their spectra was 91.6%.

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Cesium/oxide interactions for ultrathin films on {alpha}-Al{sub 2}O{sub 3}(0001) and {alpha}-Al{sub 2}O{sub 3}(1{bar 1}02)

Zavadil, Kevin R.

The interaction of cesium at the (0001) and (1{bar 1}02) surfaces of sapphire has been investigated using a variety of surface analytical techniques. Reflection mass spectrometric measurements yield initial Cs adsorption probabilities of 0.9 and 0.85 for the unreconstructed (0001) and (1{bar 1}02) surfaces, respectively. The adsorption probability decreases dramatically for these surfaces at critical Cs coverages of 2.O {times} 10{sup 14} and 3.4 {times} 10{sup 14} atoms/cm{sup 2}, respectively. Thermally induced reconstruction of the (0001) surface to form an oxygen deficient surface results in a decrease in the initial probability and capacity for Cs adsorption. Low energy electron diffraction (LEED) demonstrates that an intermediate, mixed domain surface yields an initial adsorption probability of 0.5 while a ({radical}31 {times} {radical}31) R {plus_minus} 9{degree} reconstructed surface yields a value of 0.27. Thermal desorption mass spectrometry (TDMS) shows that surface reconstruction eliminates the high binding energy states of Cs (2.7 eV/atom), consistent with the observed changes in adsorption probability. In contrast, reconstruction of the (1{bar 1}02) surface produces only minor changes in Cs adsorption. X-ray photoelectron spectroscopy (XPS) indicates that no formal reductive/oxidative chemistry takes place at the interface. We interpret the facile adsorption and strong binding of Cs on sapphire to result from Cs interacting with coordinatively unsaturated oxygen.

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Functionalized block copolymers as adhesion promoters

Kent, Michael S.

The goal of this work is to develop novel functionalized block copolymers to promote adhesion at inorganic substrate/polymer interfaces. We envision several potential advantages of functionalized block copolymers over small molecule coupling agents. Greater control over the structure of the interphase region should result through careful design of the backbone of the copolymer. The number of chains per area, the degree of entanglement between the copolymer and the polymer matrix, the number of sites per chain able to attach to the substrate, and the hydrophobicity of the interphase region can all be strongly affected by the choice of block lengths and the monomer sequence. In addition, entanglement between the copolymer and the polymer matrix, if achieved, should contribute significantly to adhesive strength. Our program involves four key elements: the synthesis of suitable functionalized block copolymers, characterization of the conformation of the copolymers at the interface by neutron reflectivity and atomic force microscopy, characterization of the degree of bonding by spectroscopy, and measurement of the mechanical properties of the interface. In this paper we discuss block copolymers designed as adhesion promoters for the copper/epoxy interface. We have synthesized a diblock with one block containing imidazole groups to bond to copper and a second block containing secondary amines to react with the epoxy matrix. We have also prepared a triblock copolymer containing a hydrophobic middle block. Below we describe the synthesis of the block copolymers by living, ring-opening metathesis polymerization (ROMP) and the first characterization data obtained by neutron reflectivity.

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New developments for sol-gel film and fiber processing

Hurd, A.J.

New insights into the development of microstructure in sol-gel films have recently been revealed by several diagnostic techniques, including imaging ellipsometry, {open_quotes}chemical imaging{close_quotes} by fluorescent tracers, light scattering from capillary waves, and finite-element modeling. The evolution of porosity during the continuous transition from dilute sol to porous solid in restricted geometries such as films and fibers is becoming clearer through fundamental understanding of evaporation dynamics and capillarity.

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Laser Tracker III: Sandia National Laboratories` third generation laser tracking system

Patrick, D.L.

At Sandia Labs` Coyote Canyon Test Complex, it became necessary to develop a precision single station solution to provide time space position information (tspi) when tracking airborne test vehicles. Sandia`s first laser tracker came on line in 1968, replacing the fixed camera technique for producing trajectory data. This system shortened data reduction time from weeks to minutes. Laser Tracker 11 began operations in 1982, replacing the original tracker. It incorporated improved optics and electronics, with the addition of a microprocessor-based real-time control (rtc) system within the main servo loop. The rtc added trajectory prediction with the loss of adequate tracking signal and automatic control of laser beam divergence according to target range. Laser Tracker III, an even more advanced version of the systems, came on line in 1990. Unlike LTII, which is mounted in a trailer and must by moved by a tractor, LTIII is mounted on its own four-wheel drive carrier. This allows the system to be used at even the most remote locations. It also incorporated improved optics and electronics with the addition of absolute ranging, acquisition on the fly, and automatic transition from manual Joystick tracking to laser tracking for aircraft tests. LTIII provides a unique state of the art tracking capability for missile, rocket sled, aircraft, submunition, and parachute testing. Used in conjunction with LTII, the systems together can provide either simultaneous or extended range tracking. Mobility, accuracy, reliability, and cost effectiveness enable these systems to support a variety of testing at Department of Energy and Department of Defense ranges.

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Polarization characteristics, control, and modulation of vertical-cavity surface emitting lasers

Choquette, K.D.

The gain-dependent polarization properties of vertical-cavity surface emitting lasers and methods for polarization control and modulation are discussed. The partitioning of power between the two orthogonal eigen polarizations is shown to depend upon the relative spectral alignment of the nondegenerate polarization cavity resonances with the laser gain spectrum. A dominant polarization can thus be maintained by employing a blue-shifted offset of the peak laser gain relative to the cavity resonance wavelength. Alternatively, the polarization can be controlled through use of anisotropic transverse cavity geometries. The orthogonal eigen polarizations are also shown to enable polarization modulation. By exploiting polarization switching transitions in cruciform lasers, polarization modulation of the fundamental mode up to 50 MHz is demonstrated. At lower modulation frequencies, complementary digital polarized output or frequency doubling of the polarized output is obtained. Control and manipulation of vertical-cavity laser polarization may prove valuable for present and future applications.

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Comparison of lower-frequency (<1000 Hz) downhole seismic sources for use at environmental sites

Elbring, Gregory J.

In conjunction with crosswell seismic surveying being done at the Hanford Site in south-central Washington, four different downhole seismic sources have been tested between the same set of boreholes. The four sources evaluated were the Bolt airgun, the OYO-Conoco orbital vibrator, and two Sandia-developed vertical vibrators, one pneumatically-driven, and the other based on a magnetostrictive actuator. The sources generate seismic energy in the lower frequency range of less than 1000 Hz and have different frequency characteristics, radiation patterns, energy levels, and operational considerations. Collection of identical data sets with all four sources allows the direct comparison of these characteristics and an evaluation of the suitability of each source for a given site and target.

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Using high-density magnetic and electromagnetic data for waste site characterization: A case study

Cochran, John R.

Magnetometers are frequently used to characterize hazardous waste sites. Due to cost and time considerations, data are typically collected on a coarse grid with nodes on 3 to 6 meter (m) centers. Hardware and software are now available which allow the rapid and cost effective collection of information on a much finer sampling grid. In this paper we present and compare total field magnetometery data collected on 3 m centers to total field magnetometery data collected on a grid with centers of 0.5 m or less. We also compare the magnetometery data to time-domain electromagnetic (EM) data collected on a 1 m by 0.2 m grid using the recently introduced Geonics Ltd. EM61 metal detector. All three data sets were collected at an abandoned landfill radioactive Burial Site No. 11 (RB-11) is located on Kirtland Air Force Base near Albuquerque, New Mexico.

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Transport processes investigation: A necessary first step in site scale characterization plans

Roepke, C.

We propose an approach, which we call the Transport Processes Investigation or TPI, to identify and verify site-scale transport processes and their controls. The TPI aids in the formulation of an accurate conceptual model of flow and transport, an essential first step in the development of a cost effective site characterization strategy. The TPI is demonstrated in the highly complex vadose zone of glacial tills that underlie the Fernald Environmental Remediation Project (FEMP) in Fernald, Ohio. As a result of the TPI, we identify and verify the pertinent flow processes and their controls, such as extensive macropore and fracture flow through layered clays, which must be included in an accurate conceptual model of site-scale contaminant transport. We are able to conclude that the classical modeling and sampling methods employed in some site characterization programs will be insufficient to characterize contaminant concentrations or distributions at contaminated or hazardous waste facilities sited in such media.

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Research on robotics by principal investigators of the Robotics Technology Development Program

Harrigan, R.W.

The U.S. Department of Energy`s Office of Technology Development has been developing robotics and automation technologies for the clean-up and handling of hazardous and radioactive waste through one of its major elements, Cross Cutting and Advanced Technology development. CC&AT university research and development programs recognize the strong technology, base resident in the university community and sponsor a focused technology research and development program which stresses close interaction between the university sector and the DOE community. This report contains a compilation of research articles by each of 14 principle investigators supported by CC&AT to develop robotics and automation technologies for the clean-up and handling of hazardous and radioactive waste. This research has led to innovative solutions for waste clean-up problems, and it has moved technology out of university laboratories into functioning systems which has allowed early evaluation by site technologists.

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A Heuristic and complete planner for the classical mover`s problem

Hwang, Yong K.

We present a motion planner for the classical mover`s problem in three dimensions that is both resolution-complete and efficient in that it has performance commensurate with task difficulty. It is based on the SANDROS search strategy, which uses a hierarchical, multi-resolution representation of the configuration space along with a generate-and-test paradigm for solution paths. This planner can control the trade-offs between the computation resource and algorithmic completeness/solution path quality, and thus can fully utilize the available computing power. It is useful for navigation of mobile robots, submarines and spacecraft, or part motion feasibility in assembly planning.

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Percolation model for selective dissolution of multi-component glasses

Brinker, C.J.

A percolation model is developed which accounts for most known features of the process of porous glass membrane preparation by selective dissolution of multi-component glasses. The model is founded within tile framework of the classical percolation theory, wherein the components of a glass are represented by random sites on a suitable lattice. Computer simulation is used to mirror the generation of a porous structure during the dissolution process, reproducing many of the features associated with the phenomenon. Simulation results evaluate the effect of the initial composition of the glass on the kinetics of the leaching process as well as the morphology of the generated porous structure. The percolation model establishes the porous structure as a percolating cluster of unreachable constituents in the glass. The simulation algorithm incorporates removal of both, the accessible leachable components in the glass as well as the independent clusters of unreachable components not attached to the percolating cluster. The dissolution process thus becomes limited by the conventional site percolation thresholds of the unreachable components (which restricts the formation of the porous network), as well as the leachable components (which restricts the accessibility of the solvating medium into the glass). The simulation results delineate the range of compositional variations for successful porous glass preparation and predict the variation of porosity, surface area, dissolution rates and effluent composition with initial composition and time. Results compared well with experimental studies and improved upon similar models attempted in die past.

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Adaptive path planning: Algorithm and analysis

Chen, Pang C.

To address the need for a fast path planner, we present a learning algorithm that improves path planning by using past experience to enhance future performance. The algorithm relies on an existing path planner to provide solutions difficult tasks. From these solutions, an evolving sparse work of useful robot configurations is learned to support faster planning. More generally, the algorithm provides a framework in which a slow but effective planner may be improved both cost-wise and capability-wise by a faster but less effective planner coupled with experience. We analyze algorithm by formalizing the concept of improvability and deriving conditions under which a planner can be improved within the framework. The analysis is based on two stochastic models, one pessimistic (on task complexity), the other randomized (on experience utility). Using these models, we derive quantitative bounds to predict the learning behavior. We use these estimation tools to characterize the situations in which the algorithm is useful and to provide bounds on the training time. In particular, we show how to predict the maximum achievable speedup. Additionally, our analysis techniques are elementary and should be useful for studying other types of probabilistic learning as well.

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A natural analogue for high-level waste in tuff: Chemical analysis and modeling of the Valles site

Stockman, Harlan W.

The contact between an obsidian flow and a steep-walled tuff canyon was examined as an analogue for a high-level waste repository. The analogue site is located in the Valles Caldera in New Mexico, where a massive obsidian flow filled a paleocanyon in the Battleship Rock Tuff. The obsidian flow provided a heat source, analogous to waste panels or an igneous intrusion in a repository, and caused evaporation and migration of water. The tuff and obsidian samples were analyzed for major and trace elements and mineralogy by INAA, XRF, x-ray diffraction, and scanning electron microscopy and electron microprobe. Samples were also analyzed for D/H and {sup 39}Ar/{sup 40}Ar isotopic composition. Overall, the effects of the heating event seem to have been slight and limited to the tuff nearest the contact. There is some evidence of devitrification and migration of volatiles in the tuff within 10 m of the contact, but variations in major and trace element chemistry are small and difficult to distinguish from the natural (pre-heating) variability of the rocks.

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The sorption behavior of Cs and Cd onto oxide and clay surfaces

Westrich, Henry R.

The sorption of Cs and Cd on model soil minerals was examined by complementary analytical and experimental procedures. X-ray photoelectron spectroscopy (XPS) and nuclear magnetic resonance (NMR) spectroscopy were used to characterize the chemical and physical nature of Cs-reacted soil minerals. Cd and Cs adsorption isotherms for kaolinite were also measured at variable pH and temperature to establish likely reaction stoichiometries, while atomic force microscopy (AFM) was used to characterize the microtopography of the clay surface. XPS analyses of Cs-exchanged samples show that Cs is sorbed at mineral surfaces and at the interlayer site of smectite clays, although the spectral resolution of XPS analyses is insufficient to differentiate between basal, edge or interlayer sites. {sup 133}Cs MAS-NMR results also show that Cs is adsorbed primarily in an interlayer site of montmorillonite and on edge and basal sites for kaolinite. Cd adsorption isotherms on kaolinite were found to be additive using Al{sub 2}0{sub 3} + Si0{sub 2} Cd binding constants. AFM quantification of kaolinite crystallites suggest that edges comprise up to 50% of the BET surface area, and are consistent with NMR and surface charge results that Cs an Cd adsorption occur primarily at edge sites.

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Steam reforming of DOE complex waste simulants

Miller, James E.

Sandia National Laboratories has worked with Synthetica Technologies and Manufacturing and Technology Conversion International (MTCl) to demonstrate the applicability of their commercial steam reforming technologies for treating DOE low-level mixed wastes. Previously, Synthetica successfully demonstrated destruction of a Sandia formulated lab trash simulant. During November 1994 Synthetica did not adequately process the aqueous halogenated organic liquid mixed waste simulant (MWTP-2110) formulated by the DOE Mixed Waste Integrated Program (MWIP). Testing at MTCl is ongoing and initial results appear to be favorable. Approximately 200 lbs each of the MWIP aqueous halogenated organic liquids (MWTP-2110), and absorbed aqueous and organic liquids (MWTP-3113/3114) simulants have been processed. At 1650{degree}F, destruction efficiencies of greater than 99% were obtained for tetrachloroethylene, toluene, and 1,2 dichlorobenzene. Product cases consisted primarily of H{sub 2}, C0{sub 2}, CO, and CH{sub 4} and had higher heating values of up to 355 BTU/SCF. Conclusions concerning the suitability of the MTCI process for treating DOE mixed wastes will be drawn upon the completion of testing.

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Geochemical and stable isotope variations in baseflow from an urbanized watershed: White Rock Creek, Dallas, Texas

Brady, Patrick V.

Public concerns about surface water quality and its impact on health issues have put a premium on the ability to predict surface and groundwater quality in urban areas. The movement of toxins and nutrients in urban areas is largely controlled by interactions with soil and aquifer minerals along hydrologic pathways. Despite progress in theoretical modeling of the effects of these interactions on water chemistry, it is presently impossible to predict overall trends in urban water quality. Determining the controls on stream water chemistry is problematic due to the interplay between different hydrologic reservoirs which cannot be easily observed or measured. Natural tracers, such as dissolved ions and isotopes, provide an indirect method for observing subsurface interactions and are useful for time series analysis of stream water composition. Ionic species are generally nonconservative components because of chemical reactions and are thus useful for discerning the overall discharge chemistry affected by the relationship.

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Viscous diffusion of vorticity in unsteady wall layers using the diffusion velocity concept

Strickland, James H.

The primary purpose of this paper is to provide a careful evaluation of the diffusion velocity concept with regard to its ability to predict the diffusion of vorticity near a moving wall. A computer code BDIF has been written which simulates the evolution of the vorticity field near a wall of infinite length which is moving in an arbitrary fashion. The simulations generated by this code are found to give excellent results when compared to several exact solutions. We also outline a two-dimensional unsteady viscous boundary layer model which utilizes the diffusion velocity concept and is compatible with vortex methods. A primary goal of this boundary layer model is to minimize the number of vortices generated on the surface at each time step while achieving good resolution of the vorticity field near the wall. Preliminary results have been obtained for simulating a simple two-dimensional laminar boundary layer.

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Synthesis of novel precursors for PMN powders and the thin films obtained from them

Boyle, Timothy J.

Sol-gel processing has been widely used in the preparation of lead zirconate titanate (PZT) thin films. The authors have applied this methodology to the formation of lead magnesium niobate (PMN) spin-cast deposited thin films. Since there is a limited number of soluble, commercially available compounds, the authors have recently synthesized a series of novel metal alkoxides for use as precursors for generation of PMN thin films and powders. The process for generation of the perovskite phase of these PMN powders and films are reported.

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Assessing alternative conceptual models of fracture flow

Ho, Clifford K.

The numerical code TOUGH2 was used to assess alternative conceptual models of fracture flow. The models that were considered included the equivalent continuum model (ECM) and the dual permeability (DK) model. A one-dimensional, layered, unsaturated domain was studied with a saturated bottom boundary and a constant infiltration at the top boundary. Two different infiltration rates were used in the studies. In addition, the connection areas between the fracture and matrix elements in the dual permeability model were varied. Results showed that the two conceptual models of fracture flow produced different saturation and velocity profiles-even under steady-state conditions. The magnitudes of the discrepancies were sensitive to two parameters that affected the flux between the fractures and matrix in the dual permeability model: (1) the fracture-matrix connection areas and (2) the capillary pressure gradients between the fracture and matrix elements.

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The impact of technology on the economy

Rogers, Jonathan D.

This paper discusses, in a general way, the influence of technology on the economy. The target audience is engineers who are involved in technology development but who are not especially familiar with economics. The measure used for describing the health of an economy is productivity. The impact of technological developments on productivity is discussed.

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Hazardous materials management using a Cradle-to-Grave Tracking and Information System (CGTIS)

Campbell, D.

Hazardous materials management includes interactions among materials, personnel, facilities, hazards, and processes of various groups within a DOE site`s environmental, safety & health (ES&H) and line organizations. Although each group is charged with addressing a particular aspect of these properties and interactions, the information it requires must be gathered into a coherent set of common data for accurate and consistent hazardous material management and regulatory reporting. It is these common data requirements which the Cradle-to-Grave Tracking and Information System (CGTIS) is designed to satisfy. CGTIS collects information at the point at which a process begins or a material enters a facility, and maintains that information, for hazards management and regulatory reporting, throughout the entire life-cycle by providing direct on-line links to a site`s multitude of data bases to bring information together into one common data model.

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Interactive development of RADTRAN

Neuhauser, K.S.; Kanipe, F.L.; Weiner, R.F.; Yoshimura, H.R.; Joy, H.W.

The RADTRAN computer code for transportation risk analysis, which has been under continuous development at Sandia National Laboratories since 1977, has evolved from a purely research tool into a publicly available with a variety of applications. This expansion of the user community has substantially increased the need to make the system easier to use without decreasing its capabilities or the quality of output. A large set of modifiable RADTRAN input files has been available via TRANSNET for several years. One approach to assisting the user involves adding annotations/information to each of these files. A second approach is providing additional help in building new/modifying old input files. Keeping the proposed information/annotation files separate from but closely coupled to the modifiable input files within the TRANSNET shell system allows the modifiable input files to remain as regular input files while providing rapid, automatic access to, useful information about the analysis. In this way, the sample input files remain intact as regular RADTRAN input files and any files generated using associated on-line menus or editors may be readily converted into new input files. A single sample file is selected and used as an example to illustrate the prototype help features.

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Scenarios constructed for nominal flow in the presence of a repository at Yucca Mountain and vicinity

Barr, George E.

Scenario development for the system performance assessment of the Yucca Mountain Site Characterization Project defines a scenario as a well-posed problem connecting an initiating event with radionuclide release to the accessible environment by a logical and physically possible combination or sequence of features, events, and processes. Drawing on the advice and assistance of the Project`s principal investigators (PIs), a collection of release scenarios initiated by the nominal ground-water flow occurring in the vicinity of the potential Yucca Mountain high-level-waste repository is developed and described in pictorial form. This collection of scenarios is intended to provide a framework to assist PIs in recognizing essential field and calculational analyses, to assist performance assessment in providing guidance to site characterization, and to continue the effort to exhaustively identify all features, events, and processes important to releases. It represents a step in the iterative process of identifying what details of the potential site are important for safe disposal. 67 refs.

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Risk-based assessment of the surety of information systems

Jansma, R.

Correct operation of an information system requires a balance of ``surety`` domains -- access control (confidentiality), integrity, utility, availability, and safety. However, traditional approaches provide little help on how to systematically analyze and balance the combined impact of surety requirements on a system. The key to achieving information system surety is identifying, prioritizing, and mitigating the sources of risk that may lead to system failure. Consequently, the authors propose a risk assessment methodology that provides a framework to guide the analyst in identifying and prioritizing sources of risk and selecting mitigation techniques. The framework leads the analyst to develop a risk-based system model for balancing the surety requirements and quantifying the effectiveness and combined impact of the mitigation techniques. Such a model allows the information system designer to make informed trade-offs based on the most effective risk-reduction measures.

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The role of advanced engineering simulation in model-based design

Hommert, Paul J.

The agile manufacturing paradigm engenders many new concepts and work approaches for manufacturing operations. A technology often invoked in the concept of agility is modeling and simulation. Few would disagree that modeling and simulation holds the potential to substantially reduce the product development cycle and lead to improve product reliability and performance. Advanced engineering simulation can impact manufacturing in three areas: process design, product design, and process control. However, despite that promise, the routine utilization of modeling and simulation by industry within the design process is very limited. Advanced simulation is still used primarily in a troubleshooting mode examining design or process problems after the fact. Sandia National Laboratories has been engaged in the development of advanced engineering simulation tools for many years and more recently has begun to focus on the application of such models to manufacturing processes important for the defense industry. These efforts involve considerable interaction and cooperative research with US industry. Based upon this experience, this presentation examines the elements that are necessary for advanced engineering simulation to become an integral part of the design process.

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Results 93401–93450 of 96,771
Results 93401–93450 of 96,771