SNLO is public domain software developed at Sandia National Laboratories. It is intended to assist in the selection of the best nonlinear crystal for a particular application, and in predicting its performance. This paper briefly describes its functions and how to use them.

Because of their strong internal bonding, S-decorated Cu trimers are a likely agent of S-enhanced Cu transport between islands on Cu(111). According to ab-initio calculations, excellent healing of dangling Cu valence results in an ad-Cu{sub 3}S{sub 3} formation energy of only {approximately}0.28 eV, compared to 0.79 eV for a self-adsorbed Cu atom, and a diffusion barrier {le}0.35 eV.

A scalable, distributed modeling and simulation framework has been developed at Argonne National Laboratory to study Intelligent Transportation Systems. The framework can run on a single-processor workstation, or run distributed on a multiprocessor computer or network of workstations. The framework is modular and supports plug-in models, hardware, and live data sources. The initial set of models currently includes road network and traffic flow, probe and smart vehicles, traffic management centers, communications between vehicles and centers, in-vehicle navigation systems, roadway traffic advisories. The modeling and simulation capability has been used to examine proposed ITS concepts. Results are presented from modeling scenarios from the Advanced Driver and Vehicle Advisory Navigation Concept (ADVANCE) experimental program to demonstrate how the framework can be used to evaluate the benefits of ITS and to plan future ITS operational tests and deployment initiatives.

Reservation and adaptation are two well-known and effective techniques for enhancing the end-to-end performance of network applications. However, both techniques also have limitations, particularly when dealing with high-bandwidth, dynamic flows: fixed-capability reservations tend to be wasteful of resources and hinder graceful degradation in the face of congestion, while adaptive techniques fail when congestion becomes excessive. We propose an approach to quality of service (QoS) that overcomes these difficulties by combining features of reservations and adaptation. In this approach, a combination of online control interfaces for resource management, a sensor permitting online monitoring, and decision procedures embedded in resources enable a rich variety of dynamic feedback interactions between applications and resources. We describe a QoS architecture, GARA, that has been extended to support these mechanisms, and use three examples of application-level adaptive strategies to show how this framework can permit applications to adapt both their resource requests and behavior in response to online sensor information.

A long-standing goal of the equation of state (EOS) community has been the development of a loading capability for direct measurement of material properties along an isentrope. Previous efforts on smooth bore launchers have been somewhat successful, but quite difficult to accurately reproduce, had pressure limitations, or tended to be a series of small shocks as opposed to a smoothly increasing pressure load. A technique has recently been developed on the Sandia National Laboratories Z accelerator which makes use of the high current densities and magnetic fields available to produce nearly isentropic compression of samples that are approximately 1 mm in thickness over approximately 120 ns. Velocity interferometry is used to measure the rear surface motion of these samples. The resulting time resolved velocity profiles from multiple sample thicknesses provide information about mechanical response under isentropic loading conditions and phase transition kinetics. Feasibility experiments have been performed to pressures of approximately 130 kbar in copper and 300 kbar in iron with effects of the {alpha}-{var_epsilon} phase change kinetics in iron clearly observed. Work is in progress to achieve 1--2% accuracy in P-v space along an isentrope, provide uniaxial strain, and to eliminate magnetic field and current diffusion within the sample …

In addition to impacting non-renewable energy supplies, buildings world wide contribute to climate change by being responsible for the release of carbon dioxide, either directly through combustion of carbon-based fuels or indirectly through electricity consumption from carbon fuels. Engineers and architects have an obligation to design for sustainability. This paper addresses each step in the building design process from inception to occupancy. Recommendations and examples of how sustainability can be achieved are given using two examples of actual buildings that have low energy use and minimal impact on the environment. In addition, these buildings have life cycle costs comparable to conventional buildings and provide comfortable, healthy, and productive indoor environments.

This paper focuses on implementation of daylighting into the Bighorn Center, a collection of home improvement retail spaces in Silverthorne, Colorado, which were constructed in three phases. Daylighting was an integral part of the design of the Phase 3 building. Energy consultants optimized the daylighting design through detailed modeling using an hourly building energy simulation tool. Energy consultants also used this tool to address the building owner's concerns related to customer comfort and increased product sales.

The authors examine pair mass dependence near threshold as a means to measure the spin of the top quark in hadron collisions, and they discuss the possibility that a top quark signal could be hidden among the top events.

The power density of the dipole x-rays in the 7-GeV APS storage ring is 261 watts/mrad at 300 mA of beam current. An array of absorbers is used in the ring to shield its vacuum chambers and diagnostics components in the path of these intense x-rays. This paper describes some of the unique absorber designs that were developed to handle the requirements of high power density and UHV compatibility with no water-to-vacuum joints.

The purpose of this initial study was to begin development of a new, objective diagnostic instrument that will allow simultaneous quantitation of multiple proteases within a single periodontal pocket using a chemical fiber optic sensor. This approach could potentially be adapted to use specific antibodies and chemiluminescence to detect and quantitate virtually any compound and compare concentrations of different compounds within the same periodontal pocket. The device could also be used to assay secretions in salivary ducts or from a variety of wounds. The applicability is, therefore, not solely limited to dentistry and the device would be important both for clinical diagnostics and as a research tool.

A time-dependent cohesive zone model is employed to model adhesive failure and grain-boundary cracking. Through the incorporation of viscoelasticity and evolving damage, the viscoelastic cohesive zone model (VCZM) yields a time-dependent critical energy release rate. A double-cantilever beam configuration is investigated. Crack growth curves are presented for the Xu-Needleman and VCZM model. In addition, a fifty-five grain polycrystal is simulated in compression. Time-dependent grain boundary prying and sliding result in inter-granular separation parallel to the major axis of loading.

Two major problems associated with Si-based MEMS devices are stiction and wear. Surface modifications are needed to reduce both adhesion and friction in micromechanical structures to solve these problems. In this paper, the authors will present a process used to selectively coat MEMS devices with tungsten using a CVD (Chemical Vapor Deposition) process. The selective W deposition process results in a very conformal coating and can potentially solve both stiction and wear problems confronting MEMS processing. The selective deposition of tungsten is accomplished through silicon reduction of WF{sub 6}, which results in a self-limiting reaction. The selective deposition of W only on polysilicon surfaces prevents electrical shorts. Further, the self-limiting nature of this selective W deposition process ensures the consistency necessary for process control. Selective tungsten is deposited after the removal of the sacrificial oxides to minimize process integration problems. This tungsten coating adheres well and is hard and conducting, requirements for device performance. Furthermore, since the deposited tungsten infiltrates under adhered silicon parts and the volume of W deposited is less than the amount of Si consumed, it appears to be possible to release stuck parts that are contacted over small areas such as dimples. Results from tungsten deposition …

The authors are particularly interested in the work of adhesion measurements as a means to facilitate the understanding of the adhesive failure mechanisms for systems containing encapsulated and bonded components. Of the several issues under investigation, one is the effect of organic contamination on the adhesive strength for several types of polymer/metal interface combinations. The specific question that the authors are trying to address is at what level of contamination does adhesive strength decrease. The use of contact mechanics, the JKR method, is a good approach for studying this question. Another approach being studied is the use of interracial fracture mechanics. The model contaminant is hexadecane--non-polar, medium molecular weight hydrocarbon fluid. They choose hexadecane because it replicates typical machining fluids, is nonreactive with Al surfaces, and should not dissolve readily into the adhesive systems of interest. The application of a uniform, controllable and reproducible hexadecane layer on Al surfaces has proven to be difficult. A primary concern is whether studies of model systems can be extended to systems of technological interest. The JKR theory is a continuum mechanics model of contact between two solid spheres that was developed by Johnson, Kendall and Roberts. The JKR theory is an extension of …

The administrative controls associated with transferring containers from one criticality hazard control zone to another in the Argonne National Laboratory (ANL) Fuel Conditioning Facility (FCF) are described. FCF, located at the ANL-West site near Idaho Falls, Idaho, is used to remotely process spent sodium bonded metallic fuel for disposition. The process involves nearly forty widely varying material forms and types, over fifty specific use container types, and over thirty distinct zones where work activities occur. During 1999, over five thousand transfers from one zone to another were conducted. Limits are placed on mass, material form and type, and container types for each zone. Ml material and containers are tracked using the Mass Tracking System (MTG). The MTG uses an Oracle database and numerous applications to manage the database. The database stores information specific to the process, including material composition and mass, container identification number and mass, transfer history, and the operators involved in each transfer. The process is controlled using written procedures which specify the zone, containers, and material involved in a task. Transferring a container from one zone to another is called a zone-to-zone transfer (ZZT). ZZTs consist of four distinct phases, select, request, identify, and completion.

Much progress has been made through these years to achieve automatic hexahedral mesh generation. While general meshing algorithms that can take on general geometry are not there yet; many well-proven automatic meshing algorithms now work on certain classes of geometry. This paper presents a feature based volume decomposition approach for automatic Hexahedral Mesh generation. In this approach, feature recognition techniques are introduced to determine decomposition features from a CAD model. The features are then decomposed and mapped with appropriate automatic meshing algorithms suitable for the correspondent geometry. Thus a formerly unmeshable CAD model may become meshable. The procedure of feature decomposition is recursive: sub-models are further decomposed until either they are matched with appropriate meshing algorithms or no more decomposition features are detected. The feature recognition methods employed are convexity based and use topology and geometry information, which is generally available in BREP solid models. The operations of volume decomposition are also detailed in the paper. The final section, the capability of the feature decomposer is demonstrated over some complicated manufactured parts.

{sup 1}H NMR studies of the protonation of highly nonplanar porphyrins with strong acids reveal the presence of the previously elusive monocation, and show that its stability can be related to the amount of saddle distortion induced by protonation; the amount of saddle distortion for a porphyrin dication is also found to correlate well with the rate of intermolecular proton transfer.

Molecular dynamics (MD) simulations for three separately parameterized embedded atom methods (EAM) function sets are used to determine the liquid/vapor surface tension {gamma} for Al, Ni, Cu, Ag, and Au. The three EAM models differ in both the functional forms employed and the fitting procedure used. All the EAM potentials underestimate {gamma} but one of the models performs consistently better than the others. The authors show that including a correction to the local charge density associated with gradients in the density together with exploiting the invariance of the EAM bulk potential to appropriate transformations in the charge density can lead to improved values for {gamma}, as well as for solid free surface energies, within existing EAM function sets.

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An interactive Beamline Matching application has been developed using beamline and automatic differentiation class libraries. Various freely available components were used; in particular, the user interface is based on FLTK, a C++ toolkit distributed under the terms of the GNU Public License (GPL). The result is an application that compiles without modifications under both X-Windows and Win32 and offers the same look and feel under both operating environments. In this paper, we discuss some of the practical issues that were confronted and the choices that were made. In particular, we discuss object-based event propagation mechanisms, multithreading, language mixing and persistence.

A mobile 480-V, 2-MVA UPS System utilizing battery energy storage was installed at S and C Electric Company's Polymer Products Fabrication Building in Chicago, Illinois in May 1999 to provide uninterrupted power to the building for up to 15 seconds in the event of a voltage sag or momentary interruption in the local utility supply. Similar units can be applied at medium voltage through the application of a step-up transformer to provide momentary power disturbance ride through of up to 30 seconds for loads up to 15 MVA at system voltages ranging from 4.16 kV to 34.5 kV. A power quality evaluation of the installation was performed over a six-month period from July 1999 to early January 2000. This paper describes the details and results of this power quality evaluation, which involved two phases. Phase I involved the collection and review of power disturbance data and the effects on process equipment, while Phase II involved power quality monitoring of utility source and building load voltages and currents over a period of six months. Review of power disturbance data and equipment power-disturbance ride-through characteristics during Phase I of the project indicated that the polymer fabrication process in the building is affected …

The radiation transport and dose levels at four egresses located in the Spallation Neutron Source (SNS) accelerator system were analyzed based on controlled and uncontrolled beam losses in the accelerator system. A six-step hybrid Monte Carlo/Discrete Ordinates approach was employed to solve these problems using the Monte Carlo code MCNPX and the discrete ordinates code DORT along with the coupling tools MTD and DTD. MCNPX served to characterize the generation and leakage of secondary radiation from the accelerator and beam line structures, whereas DORT performed the analyses of the radiation fields (neutrons and gammas) in the accelerator tunnels and walkways of the egress. The coupling tools facilitated generation of the boundary sources from one transport step to the next step. In this effort, large detailed accelerator models were built for MCNPX to properly describe the different types of linac structures, the beam transport and focusing elements (dipoles, quadrupoles, sextupoles) , and the beam collimators. The studies confirmed that the present egress designs were adequate to attenuate the dose in the linac tunnel of up to 100 rem/hr to a level of about 0.5 mrem/hr at the egress exit during normal operation. The egress in the accumulator ring is located at …

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This paper illustrates the application of evolutionary algorithms (EAs) to the problem of oblique decision tree induction. The objectives are to demonstrate that EAs can find classifiers whose accuracy is competitive with other oblique tree construction methods, and that this can be accomplished in a shorter time. Experiments were performed with a (1+1) evolutionary strategy and a simple genetic algorithm on public domain and artificial data sets. The empirical results suggest that the EAs quickly find Competitive classifiers, and that EAs scale up better than traditional methods to the dimensionality of the domain and the number of training instances.

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