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The acquisition of dangerous biological materials: Technical facts sheets to assist risk assessments of 46 potential BW agents

Astuto Gribble, Lisa A.; Gaudioso, Jennifer M.

Numerous terrorist organizations have openly expressed interest in producing and deploying biological weapons. However, a limiting factor for many terrorists has been the acquisition of dangerous biological agents, as evidenced by the very few successful instances of biological weapons use compared to the number of documented hoaxes. Biological agents vary greatly in their ability to cause loss of life and economic damage. Some agents, if released properly, can kill many people and cause an extensive number of secondary infections; other agents will sicken only a small number of people for a short period of time. Consequently, several biological agents can potentially be used to perpetrate a bioterrorism attack but few are likely capable of causing a high consequence event. It is crucial, from a US national security perspective, to more deeply understand the likelihood that terrorist organizations can acquire the range of these agents. Few studies have attempted to comprehensively compile the technical information directly relevant to the acquisition of dangerous bacteria, viruses and toxins. In this report, technical fact sheets were assembled for 46 potentially dangerous biological agents. Much of the information was taken from various research sources which could ultimately and significantly expedite and improve bioterrorism threat assessments. By systematically examining a number of specific agent characteristics included in these fact sheets, it may be possible to detect, target, and implement measures to thwart future terrorist acquisition attempts. In addition, the information in these fact sheets may be used as a tool to help laboratories gain a rudimentary understanding of how attractive a method laboratory theft is relative to other potential acquisition modes.

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OPSAID Initial Design and Testing Report

Hurd, Steven A.; Stamp, Jason E.; Chavez, Adrian R.

Process Control System (PCS) security is critical to our national security. Yet, there are a number of technological, economic, and educational impediments to PCS owners implementing effective security on their systems. OPSAID (Open PCS Security Architecture for Interoperable Design), a project sponsored by the US Department of Energy's Office of Electricity Delivery and Reliability, aims to address this issue through developing and testing an open source architecture for PCS security. Sandia National Laboratories, along with a team of PCS vendors and owners, have developed and tested this PCS security architecture. This report describes their progress to date.2 AcknowledgementsThe authors acknowledge and thank their colleagues for their assistance with the OPSAID project.Sandia National Laboratories: Alex Berry, Charles Perine, Regis Cassidy, Bryan Richardson, Laurence PhillipsTeumim Technical, LLC: Dave TeumimIn addition, the authors are greatly indebted to the invaluable help of the members of the OPSAID Core Team. Their assistance has been critical to the success and industry acceptance of the OPSAID project.Schweitzer Engineering Laboratory: Rhett Smith, Ryan Bradetich, Dennis GammelTelTone: Ori Artman Entergy: Dave Norton, Leonard Chamberlin, Mark AllenThe authors would like to acknowledge that the work that produced the results presented in this paper was funded by the U.S. Department of Energy/Office of Electricity Delivery and Energy Reliability (DOE/OE) as part of the National SCADA Test Bed (NSTB) Program. Executive SummaryProcess control systems (PCS) are very important for critical infrastructure and manufacturing operations, yet cyber security technology in PCS is generally poor. The OPSAID (Open PCS (Process Control System) Security Architecture for Interoperable Design) program is intended to address these security shortcomings by accelerating the availability and deployment of comprehensive security technology for PCS, both for existing PCS and inherently secure PCS in the future. All activities are closely linked to industry outreach and advisory efforts.Generally speaking, the OPSAID project is focused on providing comprehensive security functionality to PCS that communicate using IP. This is done through creating an interoperable PCS security architecture and developing a reference implementation, which is tested extensively for performance and reliability.This report first provides background on the PCS security problem and OPSAID, followed by goals and objectives of the project. The report also includes an overview of the results, including the OPSAID architecture and testing activities, along with results from industry outreach activities. Conclusion and recommendation sections follow. Finally, a series of appendices provide more detailed information regarding architecture and testing activities.Summarizing the project results, the OPSAID architecture was defined, which includes modular security functionality and corresponding component modules. The reference implementation, which includes the collection of component modules, was tested extensively and proved to provide more than acceptable performance in a variety of test scenarios. The primary challenge in implementation and testing was correcting initial configuration errors.OPSAID industry outreach efforts were very successful. A small group of industry partners were extensively involved in both the design and testing of OPSAID. Conference presentations resulted in creating a larger group of potential industry partners.Based upon experience implementing and testing OPSAID, as well as through collecting industry feedback, the OPSAID project has done well and is well received. Recommendations for future work include further development of advanced functionality, refinement of interoperability guidance, additional laboratory and field testing, and industry outreach that includes PCS owner education. 4 5 --This page intentionally left blank --

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Characterizing and Improving Distributed Intrusion Detection Systems

Hurd, Steven A.

Due to ever-increasing quantities of information traversing networks, network administrators are developing greater reliance upon statistically sampled packet information as the source for their intrusion detection systems (IDS). Our research is aimed at understanding IDS performance when statistical packet sampling is used. Using the Snort IDS and a variety of data sets, we compared IDS results when an entire data set is used to the results when a statistically sampled subset of the data set is used. Generally speaking, IDS performance with statistically sampled information was shown to drop considerably even under fairly high sampling rates (such as 1:5). Characterizing and Improving Distributed Intrusion Detection Systems4AcknowledgementsThe authors wish to extend our gratitude to Matt Bishop and Chen-Nee Chuah of UC Davis for their guidance and support on this work. Our thanks are also extended to Jianning Mai of UC Davis and Tao Ye of Sprint Advanced Technology Labs for their generous assistance.We would also like to acknowledge our dataset sources, CRAWDAD and CAIDA, without which this work would not have been possible. Support for OC48 data collection is provided by DARPA, NSF, DHS, Cisco and CAIDA members.

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Chemical analyses of soil samples collected from the Sandia National Laboratories, Kauai Test Facility, HI, 1999-2007

Miller, Mark L.

In 1999, 2002, and 2007, the Environmental Programs and Assurance Department of Sandia National Laboratories (SNL) at the Kauai Test Facility (KTF), HI, has collected soil samples at numerous locations on-site, on the perimeter, and off-site for determining potential impacts to the environs from operations at KTF. These samples were submitted to an analytical laboratory for metal-in-soil analyses. Intercomparisons of these results were then made to determine if there was any statistical difference between on-site, perimeter, and off-site samples, or if there were increasing or decreasing trends that indicated that further investigation might be warranted. This work provided the SNL Environmental Programs and Assurance Department with a sound baseline data reference against which to compare future operational impacts. In addition, it demonstrates the commitment that the Laboratories have to go beyond mere compliance to achieve excellence in its operations. This data is presented in graphical format with narrative commentaries on particular items of interest.

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Behavior-aware decision support systems : LDRD final report

Backus, George A.; Strip, David R.

As Sandia National Laboratories serves its mission to provide support for the security-related interests of the United States, it is faced with considering the behavioral responses that drive problems, mitigate interventions, or lead to unintended consequences. The effort described here expands earlier works in using healthcare simulation to develop behavior-aware decision support systems. This report focuses on using qualitative choice techniques and enhancing two analysis models developed in a sister project.

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Accommodating complexity and human behaviors in decision analysis

Backus, George A.; Strip, David R.; Siirola, John D.; Bastian, Mark S.; Schoenwald, David A.; Braithwaite, Karl R.

This is the final report for a LDRD effort to address human behavior in decision support systems. One sister LDRD effort reports the extension of this work to include actual human choices and additional simulation analyses. Another provides the background for this effort and the programmatic directions for future work. This specific effort considered the feasibility of five aspects of model development required for analysis viability. To avoid the use of classified information, healthcare decisions and the system embedding them became the illustrative example for assessment.

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Spectral unfolds of PITHON Flash X-ray source

Hartman, Elmer F.; Zarick, Thomas A.; Sheridan, Timothy J.

Using a differential absorption spectrometer we obtained experimental spectral information for the PITHON Flash X-ray Machine located in San Leandro, California at L-3 Communications. Spectral information we obtained pertained to the 200 keV to 800 keV endpoint operation of PITHON. We also obtained data on the temporal behavior of high energy and low energy spectral content.

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Novel photonic crystal cavities and related structures

Luk, Ting S.

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Large-area metallic photonic lattices for military applications

Luk, Ting S.

In this project we developed photonic crystal modeling capability and fabrication technology that is scaleable to large area. An intelligent optimization code was developed to find the optimal structure for the desired spectral response. In terms of fabrication, an exhaustive survey of fabrication techniques that would meet the large area requirement was reduced to Deep X-ray Lithography (DXRL) and nano-imprint. Using DXRL, we fabricated a gold logpile photonic crystal in the <100> plane. For the nano-imprint technique, we fabricated a cubic array of gold squares. These two examples also represent two classes of metallic photonic crystal topologies, the connected network and cermet arrangement.

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Accident source terms for boiling water reactors with high burnup cores

Gauntt, Randall O.; Powers, Dana A.

The primary objective of this report is to provide the technical basis for development of recommendations for updates to the NUREG-1465 Source Term for BWRs that will extend its applicability to accidents involving high burnup (HBU) cores. However, a secondary objective is to re-examine the fundamental characteristics of the prescription for fission product release to containment described by NUREG-1465. This secondary objective is motivated by an interest to understand the extent to which research into the release and behaviors of radionuclides under accident conditions has altered best-estimate calculations of the integral response of BWRs to severe core damage sequences and the resulting radiological source terms to containment. This report, therefore, documents specific results of fission product source term analyses that will form the basis for the HBU supplement to NUREG-1465. However, commentary is also provided on observed differences between the composite results of the source term calculations performed here and those reflected NUREG-1465 itself.

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Structured rf hydrogen plasma induced by magnetic field

Proposed for publication in IEEE Transactions on Plasma Science.

Barnat, Edward V.

Images of the spatial structure of a capacitively coupled hydrogen discharge are presented for various strengths of applied magnetic field. With increasing magnetic field, we find that not only does the distribution of emission change because of the confinement of the electrons by the magnetic field, but we also find 'dark-bands' regions that form in the discharge. By using narrowband interference filters (10 nm bandwidth), we examine how the relative optical emission centered on H{sub {alpha}} and H{sub {beta}} (with respect to the total optical emission) change with the applied magnetic field.

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Automated mask creation from a 3D model using Faethm

Schmidt, Rodney C.; Schiek, Richard S.

We have developed and implemented a method which given a three-dimensional object can infer from topology the two-dimensional masks needed to produce that object with surface micro-machining. The masks produced by this design tool can be generic, process independent masks, or if given process constraints, specific for a target process. This design tool calculates the two-dimensional mask set required to produce a given three-dimensional model by investigating the vertical topology of the model.

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Report on the SNL/NSF International Workshop on Joint Mechanics, Arlington, Virginia, 16-18 October 2006

Segalman, Daniel J.

The NSF/SNL joint mechanics workshop, held in Arlington, Virginia, 16-18 October, 2006, attempted to assess the current state of the art for modeling joint mechanics for the purpose of structural dynamics calculation, to identify the underlying physics issues that must be addressed to advance the field, and to propose a path forward. Distinguished participants from several countries representing research communities that focus on very different length and time scales identified multiple challenges in bridging those scales. Additionally, two complementary points of view were developed for addressing those challenges. The first approach - the 'bottom-up' perspective - attempts to bridge scales by starting from the smallest length scale and working up. The other approach starts at the length scale of application and attempts to deduce mechanics at smaller length scales through reconciliation with laboratory observation. Because interface physics is a limiting element of predictive simulation in defense and transportation, this issue will be of continuing importance for the foreseeable future.

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Large-scale transient sensitivity analysis of a radiation damaged bipolar junction transistor

Bartlett, Roscoe B.; Hoekstra, Robert J.

Automatic differentiation (AD) is useful in transient sensitivity analysis of a computational simulation of a bipolar junction transistor subject to radiation damage. We used forward-mode AD, implemented in a new Trilinos package called Sacado, to compute analytic derivatives for implicit time integration and forward sensitivity analysis. Sacado addresses element-based simulation codes written in C++ and works well with forward sensitivity analysis as implemented in the Trilinos time-integration package Rythmos. The forward sensitivity calculation is significantly more efficient and robust than finite differencing.

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Oxidation of zirconium alloys in 2.5 kPa water vapor for tritium readiness

Mills, Bernice E.

A more reactive liner material is needed for use as liner and cruciform material in tritium producing burnable absorber rods (TPBAR) in commercial light water nuclear reactors (CLWR). The function of these components is to convert any water that is released from the Li-6 enriched lithium aluminate breeder material to oxide and hydrogen that can be gettered, thus minimizing the permeation of tritium into the reactor coolant. Fourteen zirconium alloys were exposed to 2.5 kPa water vapor in a helium stream at 300 C over a period of up to 35 days. Experimental alloys with aluminum, yttrium, vanadium, titanium, and scandium, some of which also included ternaries with nickel, were included along with a high nitrogen impurity alloy and the commercial alloy Zircaloy-2. They displayed a reactivity range of almost 500, with Zircaloy-2 being the least reactive.

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CX-100 Manufacturing (Final Project Report)

Berry, Derek S.

This report details the work completed under the CX-100 blade manufacturing project. It presents the tooling design and manufacturing, blade production, blade instrumentation, blade shipping and adapter plate design and fabrication. The CX-100 blade was designed to demonstrate the efficient use of carbon fiber in the spar cap of a wind turbine blade. The baseline blade used for this project was the ERS-100 (Revision D) wind turbine blade. ERS-100 master plugs – for both the high pressure and low pressure skins – were modified to create plugs for the CX-100. Using the new CX-100 master skin plugs, high pressure and low pressure molds were fabricated. Similar modifications were also completed on the shear web plug/mold, the blade assembly fixture and the root stud insertion fixture. Once all of the tooling modifications were complete, a production run of seven CX-100 prototype blades was undertaken. Of those seven blades, four were instrumented with strain gauges before final assembly. After production at the TPI facility in Rhode Island, the blades were shipped to various test sites: two blades to the NWTC at NREL, two blades to Sandia National Laboratory and three blades to the USDA-ARS turbine field test facility located in Bushland, Texas. An adapter plate was designed to allow the CX-100 blades to be installed on existing Micron 65/13M turbines at the USDA site. The conclusion of this program is the kick-off of the blade testing at the three testing facilities.

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Electron transport in zinc-blende wurtzite biphasic gallium nitride nanowires and GaNFETs

Nanotechnology

Jacobs, Benjamin W.; Ayres, Virginia M.; Stallcup, Richard E.; Hartman, Alan; Tupta, Mary A.; Baczewski, Andrew D.; Crimp, Martin A.; Halpern, Joshua B.; He, Maoqi; Shaw, Harry C.

Two-point and four-point probe electrical measurements of a biphasic gallium nitride nanowire and current–voltage characteristics of a gallium nitride nanowire based field effect transistor are reported. The biphasic gallium nitride nanowires have a crystalline homostructure consisting of wurtzite and zinc-blende phases that grow simultaneously in the longitudinal direction. There is a sharp transition of one to a few atomic layers between each phase. Here, all measurements showed high current densities. Evidence of single-phase current transport in the biphasic nanowire structure is discussed.

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Full-field characterization of mechanical behavior of polyurethane foams

International Journal of Solids and Structures

Jin, Helena; Lu, Wei-Yang L.; Scheffel, Simon S.; Hinnerichs, Terry D.; Neilsen, Michael K.

The foam material of interest in this investigation is a rigid closed-cell polyurethane foam PMDI with a nominal density of 20 pcf (320 kg/m3). Three separate types of compression experiments were conducted on foam specimens. The heterogeneous deformation of foam specimens and strain concentration at the foam-steel interface were obtained using the 3-dimensional digital image correlation (3D-DIC) technique. These experiments demonstrated that the 3D-DIC technique is able to obtain accurate and full-field large deformation of foam specimens, including strain concentrations. The experiments also showed the effects of loading configurations on deformation and strain concentration in foam specimens. These DIC results provided experimental data to validate the previously developed viscoplastic foam model (VFM). In the first experiment, cubic foam specimens were compressed uniaxially up to 60%. The full-field surface displacement and strain distributions obtained using the 3D-DIC technique provided detailed information about the inhomogeneous deformation over the area of interest during compression. In the second experiment, compression tests were conducted for cubic foam specimens with a steel cylinder inclusion, which imitate the deformation of foam components in a package under crush conditions. The strain concentration at the interface between the steel cylinder and the foam specimen was studied in detail. In the third experiment, the foam specimens were loaded by a steel cylinder passing through the center of the specimens rather than from its end surface, which created a loading condition of the foam components similar to a package that has been dropped. To study the effects of confinement, the strain concentration and displacement distribution over the defined sections were compared for cases with and without a confinement fixture.

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Congestion and cascades in payment systems

Physica A: Statistical Mechanics and its Applications

Beyeler, Walter E.; Glass, Robert J.; Bech, Morten L.; Soramäki, Kimmo

We develop a parsimonious model of the interbank payment system. The model incorporates an endogenous instruction arrival process, a scale-free topology of payments between banks, a fixed total liquidity which limits banks' capacity to process arriving instructions, and a global market that distributes liquidity. We find that at low liquidity the system becomes congested and payment settlement loses correlation with payment instruction arrival, becoming coupled across the network. The onset of congestion is evidently related to the relative values of three characteristic times: the time for banks' net position to return to 0, the time for a bank to exhaust its liquidity endowment, and the liquidity market relaxation time. In the congested regime settlement takes place in cascades having a characteristic length scale. A global liquidity market substantially attenuates congestion, requiring only a small fraction of the payment-induced liquidity flow to achieve strong beneficial effects. © 2007 Elsevier B.V. All rights reserved.

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Multivariate statistical analysis of three-spatial-dimension TOF-SIMS raw data sets

Analytical Chemistry

Smentkowski, V.S.; Ostrowski, S.G.; Braunstein, E.; Keenan, M.R.; Ohlhausen, J.A.; Kotula, Paul G.

Three-spatial-dimension (3D) time-of-flight-secondary ion mass spectrometry (TOF-SIMS) analysis can be performed if an X-Y image is saved at each depth of a depth profile. In this paper, we will show how images reconstructed from specified depths, depth profiles generated from specific X-Y coordinates, as well as three-spatial-dimensional rendering provide for a better understanding of the sample than traditional depth profiling where only a single spectrum is collected at each depth. We will also demonstrate, for the first time, that multivariate statistical analysis (MVSA) tools can be used to perform a rapid, unbiased analysis of the entire 3D data set. In the example shown here, retrospective analysis and MVSA revealed a more complete picture of the 3D chemical distribution of the sample than did the as-measured depth profiling alone. Color overlays of the MVSA components as well as animated movies allowing for visualization (in 3D) from various angles will be provided. © 2007 American Chemical Society.

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Advanced System Simulation, Emulation and Test (ASSET)

Concurrent Systems Engineering Series

Wickstrom, Gregory L.

Maturing embeddable real-time concepts into deployable high consequence systems faces numerous challenges. Although overcoming these challenges can be aided by commercially available processes, toolsets, and components, they often fall short of meeting the needs at hand. This paper will review the development of a framework being assembled to address many of the shortcomings while attempting to leverage commercial capabilities as appropriate. © 2007 The authors and IOS Press. All rights reserved.

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Defect-domain wall interactions in trigonal ferroelectrics

Annual Review of Materials Research

Gopalan, Venkatraman; Dierolf, Volkmar; Scrymgeour, David A.

Domains and domain walls are a fundamental property of interest in ferroelectrics, magnetism, ferroelastics, superconductors, and multiferroic materials. Unlike magnetic Bloch walls, ideal ferroelectric domain walls are well accepted to be only one to two lattice units wide, over which polarization and strain change across the wall. However, walls in real ferroelectrics appear to show unexpected property variations in the vicinity of domain walls that can extend over micrometer length scales. This chapter specifically reviews the local electrical, elastic, optical, and structural properties of antiparallel domain walls in the trigonal ferroelectrics lithium niobate and lithium tantalate. It is shown that extrinsic point defects and their clustering play a key role in the observed local wall structure and influence macroscale properties by orders of magnitude. The review also raises broader and yet unexplored fundamental questions regarding intrinsic widths, defect-domain wall interactions, and static versus dynamic wall structure. Copyright © 2007 by Annual Reviews. All rights reserved.

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High heat flux testing of a helium-cooled tungsten tube with porous foam

Fusion Engineering and Design

Youchison, Dennis L.; Lutz, Thomas J.; Williams, B.; Nygren, Richard E.

Utramet, Inc. fabricated one-piece heat exchanger tubes of chemical vapor deposited (CVD) tungsten (W), each with an internal porous mesh fused along either 51 or 38 mm of the axial length of a tube 15 mm in outer diameter. The open porous mesh has a structure of joined ligaments that combines relatively low resistance to flow and a large area for heat transfer. In tests at the Electron Beam Test Stand (EBTS) at Sandia National Laboratories, the maximum absorbed heat load was 22.4 MW/m2 with helium at 4 MPa, flowing at 27 g/s and with inlet and outlet temperatures of 40 and 91 °C and a pressure drop of ∼0.07 MPa. The preparation and testing of the samples was funded through a Phase I grant by the US Department of Energy's Small Business Innovation Research Program. The paper reports the surface temperature distribution indicated by an infrared camera, test conditions, a post-test examination in a scanning electron microscope and other details. © 2007 Elsevier B.V. All rights reserved.

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Fabrication of ultrathin film capacitors by chemical solution deposition

Journal of Materials Research

Brennecka, Geoff L.; Tuttle, Bruce T.

A facile solution-based processing route using standard spin-coating deposition techniques has been developed for the production of reliable capacitors based on lead lanthanum zirconate titanate (PLZT) with active areas of ≥1 mm2 and dielectric layer thicknesses down to 50 nm. With careful control of the dielectric phase development through improved processing, ultrathin capacitors exhibited slim ferroelectric hysteresis loops and dielectric constants of >1000, similar to those of much thicker films. Thus, it has been demonstrated that chemical solution deposition is a viable route to the production of capacitor films which are as thin as 50 nm but are still macroscopically addressable with specific capacitance values >160 nF/mm2.

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Investigations of the non-linear transient response of quantum point contacts using pulsed excitation with sub-nanosecond time resolution

Physica E: Low-Dimensional Systems and Nanostructures

Naser, B.; Ferry, D.K.; Heeren, J.; Reno, J.L.; Bird, J.P.

We review recent work where we have investigated the non-linear transient response of quantum point contacts (QPCs) using pulsed excitation with sub-nanosecond time resolution. The transient response of these devices is shown to be dominated by a large parallel capacitance that is independent of the QPC conductance and pulse amplitude. These characteristics lead us to suggest that the capacitance is associated with charging of the two-dimensional reservoirs that source and sink current to the QPC. Our investigations also show that the transient conductance of the QPC must develop very quickly as the voltage pulse is applied, at least on a time scale shorter than the fastest rise time (2 ns) used in the experiments. We also find the existence of a characteristic fixed point in the non-linear conductance, at which its value is bias independent. The fixed point appears to correspond to the situation where the unbiased QPC is almost depopulated and can be accounted for by considering the unidirectional population of QPC subbands by the voltage bias. To discuss the behavior of the transient conductance away from the fixed point, we find that it should be necessary to consider the influence of the applied bias on the QPC profile and electron-phonon scattering. © 2007 Elsevier B.V. All rights reserved.

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Materials-based process tolerances for neutron generator encapsulation

Adolf, Douglas B.; Stavig, Mark E.; Berry, Ryan S.

Variations in the neutron generator encapsulation process can affect functionality. However, instead of following the historical path in which the effects of process variations are assessed directly through functional tests, this study examines how material properties key to generator functionality correlate with process variations. The results of this type of investigation will be applicable to all generators and can provide insight on the most profitable paths to process and material improvements. Surprisingly, the results at this point imply that the process is quite robust, and many of the current process tolerances are perhaps overly restrictive. The good news lies in the fact that our current process ensures reproducible material properties. The bad new lies in the fact that it would be difficult to solve functional problems by changes in the process.

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Non destructive testing of test objects

Mills, Bernice E.

In order to determine the visibility of various features by different techniques and in different settings, several test objects containing wires have been used as standards. Examples are shown of the use of x-ray and active thermal imaging for the detection of inclusions. The effect of x-ray accelerating voltage and confounding materials on the x-ray images is shown. Calculated transmission functions for selected materials at a range of voltages are given. The effect of confounding materials, finishes, and textures on thermography is shown and on x-radiography is discussed.

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Summary of Degas II performance at the US Strategic Petroleum Reserve Big Hill site

Lord, David L.

Crude oil stored at the US Strategic Petroleum Reserve (SPR) requires mitigation procedures to maintain oil vapor pressure within program delivery standards. Crude oil degasification is one effective method for lowering crude oil vapor pressure, and was implemented at the Big Hill SPR site from 2004-2006. Performance monitoring during and after degasification revealed a range of outcomes for caverns that had similar inventory and geometry. This report analyzed data from SPR degasification and developed a simple degas mixing (SDM) model to assist in the analysis. Cavern-scale oil mixing during degassing and existing oil heterogeneity in the caverns were identified as likely causes for the range of behaviors seen. Apparent cavern mixing patterns ranged from near complete mixing to near plug flow, with more mixing leading to less efficient degassing due to degassed oil re-entering the plant before 100% of the cavern oil volume was processed. The report suggests that the new cavern bubble point and vapor pressure regain rate after degassing be based on direct in-cavern measurements after degassing as opposed to using the plant outlet stream properties as a starting point, which understates starting bubble point and overstates vapor pressure regain. Several means to estimate the cavern bubble point after degas in the absence of direct measurement are presented and discussed.

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Predictive Capability Maturity Model for computational modeling and simulation

Pilch, Martin P.; Oberkampf, William L.; Trucano, Timothy G.

The Predictive Capability Maturity Model (PCMM) is a new model that can be used to assess the level of maturity of computational modeling and simulation (M&S) efforts. The development of the model is based on both the authors experience and their analysis of similar investigations in the past. The perspective taken in this report is one of judging the usefulness of a predictive capability that relies on the numerical solution to partial differential equations to better inform and improve decision making. The review of past investigations, such as the Software Engineering Institute's Capability Maturity Model Integration and the National Aeronautics and Space Administration and Department of Defense Technology Readiness Levels, indicates that a more restricted, more interpretable method is needed to assess the maturity of an M&S effort. The PCMM addresses six contributing elements to M&S: (1) representation and geometric fidelity, (2) physics and material model fidelity, (3) code verification, (4) solution verification, (5) model validation, and (6) uncertainty quantification and sensitivity analysis. For each of these elements, attributes are identified that characterize four increasing levels of maturity. Importantly, the PCMM is a structured method for assessing the maturity of an M&S effort that is directed toward an engineering application of interest. The PCMM does not assess whether the M&S effort, the accuracy of the predictions, or the performance of the engineering system satisfies or does not satisfy specified application requirements.

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Sonar atlas of caverns comprising the U.S. Strategic Petroleum Reserve. Volume 1, Bayou Choctaw site, Louisiana

Rautman, Christopher A.; Lord, Anna S.

Downhole sonar surveys from the four active U.S. Strategic Petroleum Reserve sites have been modeled and used to generate a four-volume sonar atlas, showing the three-dimensional geometry of each cavern. This volume 1 focuses on the Bayou Choctaw SPR site, located in southern Louisiana. Volumes 2, 3, and 4, respectively, present images for the Big Hill SPR site, Texas, the Bryan Mound SPR site, Texas, and the West Hackberry SPR site, Louisiana. The atlas uses a consistent presentation format throughout. The basic geometric measurements provided by the down-cavern surveys have also been used to generate a number of geometric attributes, the values of which have been mapped onto the geometric form of each cavern using a color-shading scheme. The intent of the various geometrical attributes is to highlight deviations of the cavern shape from the idealized cylindrical form of a carefully leached underground storage cavern in salt. The atlas format does not allow interpretation of such geometric deviations and anomalies. However, significant geometric anomalies, not directly related to the leaching history of the cavern, may provide insight into the internal structure of the relevant salt dome.

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Final report : LDRD project 79824 carbon nanotube sorting via DNA-directed self-assembly

Leung, Kevin L.; Robinson, David R.; Rempe, Susan R.

Single-wall carbon nanotubes (SWNTs) have shown great promise in novel applications in molecular electronics, biohazard detection, and composite materials. Commercially synthesized nanotubes exhibit a wide dispersion of geometries and conductivities, and tend to aggregate. Hence the key to using these materials is the ability to solubilize and sort carbon nanotubes according to their geometric/electronic properties. One of the most effective dispersants is single-stranded DNA (ssDNA), but there are many outstanding questions regarding the interaction between nucleic acids and SWNTs. In this work we focus on the interactions of SWNTs with single monomers of nucleic acids, as a first step to answering these outstanding questions. We use atomistic molecular dynamics simulations to calculate the binding energy of six different nucleotide monophosphates (NMPs) to a (6,0) single-wall carbon nanotube in aqueous solution. We find that the binding energies are generally favorable, of the order of a few kcal/mol. The binding energies of the different NMPs were very similar in salt solution, whereas we found a range of binding energies for NMPs in pure water. The binding energies are sensitive to the details of the association of the sodium ions with the phosphate groups and also to the average conformations of the nucleotides. We use electronic structure (Density Functional Theory (DFT) and Moller-Plesset second order perturbation to uncorrelated Hartree Fock theory (MP2)) methods to complement the classical force field study. With judicious choices of DFT exchange correlation functionals, we find that DFT, MP2, and classical force field predictions are in qualitative and even quantitative agreement; all three methods should give reliable and valid predictions. However, in one important case, the interactions between ions and metallic carbon nanotubes--the SWNT polarization-induced affinity for ions, neglected in most classical force field studies, is found to be extremely large (on the order of electron volts) and may have important consequences for various SWNT applications. Finally, the adsorption of NMPs onto single-walled carbon nanotubes were studied experimentally. The nanotubes were sonicated in the presence of the nucleotides at various weight fractions and centrifuged before examining the ultraviolet absorbance of the resulting supernatant. A distinct Langmuir adsorption isotherm was obtained for each nucleotide. All of the nucleotides differ in their saturation value as well as their initial slope, which we attribute to differences both in nucleotide structure and in the binding ability of different types or clusters of tubes. Results from this simple system provide insights toward development of dispersion and separation methods for nanotubes: strongly binding nucleotides are likely to help disperse, whereas weaker ones may provide selectivity that may be beneficial to a separation process.

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A mathematical framework for multiscale science and engineering : the variational multiscale method and interscale transfer operators

Bochev, Pavel B.; Collis, Samuel S.; Jones, Reese E.; Lehoucq, Richard B.; Parks, Michael L.; Scovazzi, Guglielmo S.; Silling, Stewart A.; Templeton, Jeremy A.; Wagner, Gregory J.

This report is a collection of documents written as part of the Laboratory Directed Research and Development (LDRD) project A Mathematical Framework for Multiscale Science and Engineering: The Variational Multiscale Method and Interscale Transfer Operators. We present developments in two categories of multiscale mathematics and analysis. The first, continuum-to-continuum (CtC) multiscale, includes problems that allow application of the same continuum model at all scales with the primary barrier to simulation being computing resources. The second, atomistic-to-continuum (AtC) multiscale, represents applications where detailed physics at the atomistic or molecular level must be simulated to resolve the small scales, but the effect on and coupling to the continuum level is frequently unclear.

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Controlled fabrication of nanowire sensors

Leonard, Francois L.

We present a simple top down approach based on nanoimprint lithography to create dense arrays of silicon nanowires over large areas. Metallic contacts to the nanowires and a bottom gate allow the operation of the array as a field-effect transistor with very large on/off ratios. When exposed to ammonia gas or cyclohexane solutions containing nitrobenzene or phenol, the threshold voltage of the field-effect transistor is shifted, a signature of charge transfer between the analytes and the nanowires. The threshold voltage shift is proportional to the Hammett parameter and the concentration of the nitrobenzene and phenol analytes. For the liquid analytes considered, we find binding energies of 400 meV, indicating strong physisorption. Such values of the binding energies are ideal for stable and reusable sensors.

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The mechanics of soft biological composites

Boyce, Brad B.; Grazier, J.M.

Biological tissues are uniquely structured materials with technologically appealing properties. Soft tissues such as skin, are constructed from a composite of strong fibrils and fluid-like matrix components. This was the first coordinated experimental/modeling project at Sandia or in the open literature to consider the mechanics of micromechanically-based anisotropy and viscoelasticity of soft biological tissues. We have exploited and applied Sandia's expertise in experimentation and mechanics modeling to better elucidate the behavior of collagen fibril-reinforced soft tissues. The purpose of this project was to provide a detailed understanding of the deformation of ocular tissues, specifically the highly structured skin-like tissue in the cornea. This discovery improved our knowledge of soft/complex materials testing and modeling. It also provided insight into the way that cornea tissue is bio-engineered such that under physiologically-relevant conditions it has a unique set of properties which enhance functionality. These results also provide insight into how non-physiologic loading conditions, such as corrective surgeries, may push the cornea outside of its natural design window, resulting in unexpected non-linear responses. Furthermore, this project created a clearer understanding of the mechanics of soft tissues that could lead to bio-inspired materials, such as highly supple and impact resistant body armor, and improve our design of human-machine interfaces, such as micro-electrical-mechanical (MEMS) based prosthetics.

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Development of design and simulation model and safety study of large-scale hydrogen production using nuclear power

Rodriguez, Salvador B.; Gauntt, Randall O.; Gelbard, Fred G.; Drennen, Thomas E.; Malczynski, Leonard A.; Martin, William J.

Before this LDRD research, no single tool could simulate a very high temperature reactor (VHTR) that is coupled to a secondary system and the sulfur iodine (SI) thermochemistry. Furthermore, the SI chemistry could only be modeled in steady state, typically via flow sheets. Additionally, the MELCOR nuclear reactor analysis code was suitable only for the modeling of light water reactors, not gas-cooled reactors. We extended MELCOR in order to address the above deficiencies. In particular, we developed three VHTR input models, added generalized, modular secondary system components, developed reactor point kinetics, included transient thermochemistry for the most important cycles [SI and the Westinghouse hybrid sulfur], and developed an interactive graphical user interface for full plant visualization. The new tool is called MELCOR-H2, and it allows users to maximize hydrogen and electrical production, as well as enhance overall plant safety. We conducted validation and verification studies on the key models, and showed that the MELCOR-H2 results typically compared to within less than 5% from experimental data, code-to-code comparisons, and/or analytical solutions.

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Pulse shaping effects on weld porosity in laser beam spot welds : contrast of long- & short- pulse welds

Norris, J.T.; Perricone, Matthew J.

Weld porosity is being investigated for long-pulse spot welds produced by high power continuous output lasers. Short-pulse spot welds (made with a pulsed laser system) are also being studied but to a much small extent. Given that weld area of a spot weld is commensurate with weld strength, the loss of weld area due to an undefined or unexpected pore results in undefined or unexpected loss in strength. For this reason, a better understanding of spot weld porosity is sought. Long-pulse spot welds are defined and limited by the slow shutter speed of most high output power continuous lasers. Continuous lasers typically ramp up to a simmer power before reaching the high power needed to produce the desired weld. A post-pulse ramp down time is usually present as well. The result is a pulse length tenths of a second long as oppose to the typical millisecond regime of the short-pulse pulsed laser. This study will employ a Lumonics JK802 Nd:YAG laser with Super Modulation pulse shaping capability and a Lasag SLS C16 40 W pulsed Nd:YAG laser. Pulse shaping will include square wave modulation of various peak powers for long-pulse welds and square (or top hat) and constant ramp down pulses for short-pulse welds. Characterization of weld porosity will be performed for both pulse welding methods.

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Implementing wide baseline matching algorithms on a graphics processing unit

Myers, Daniel S.; Gonzales, Antonio G.; Rothganger, Fredrick R.; Larson, K.W.

Wide baseline matching is the state of the art for object recognition and image registration problems in computer vision. Though effective, the computational expense of these algorithms limits their application to many real-world problems. The performance of wide baseline matching algorithms may be improved by using a graphical processing unit as a fast multithreaded co-processor. In this paper, we present an implementation of the difference of Gaussian feature extractor, based on the CUDA system of GPU programming developed by NVIDIA, and implemented on their hardware. For a 2000x2000 pixel image, the GPU-based method executes nearly thirteen times faster than a comparable CPU-based method, with no significant loss of accuracy.

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Massive graph visualization : LDRD final report

Moreland, Kenneth D.; Wylie, Brian N.

Graphs are a vital way of organizing data with complex correlations. A good visualization of a graph can fundamentally change human understanding of the data. Consequently, there is a rich body of work on graph visualization. Although there are many techniques that are effective on small to medium sized graphs (tens of thousands of nodes), there is a void in the research for visualizing massive graphs containing millions of nodes. Sandia is one of the few entities in the world that has the means and motivation to handle data on such a massive scale. For example, homeland security generates graphs from prolific media sources such as television, telephone, and the Internet. The purpose of this project is to provide the groundwork for visualizing such massive graphs. The research provides for two major feature gaps: a parallel, interactive visualization framework and scalable algorithms to make the framework usable to a practical application. Both the frameworks and algorithms are designed to run on distributed parallel computers, which are already available at Sandia. Some features are integrated into the ThreatView{trademark} application and future work will integrate further parallel algorithms.

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Demonstration of the self-magnetic-pinch diode as an X-ray source for flash core-punch radiography

Portillo, Salvador; Oliver, Bryan V.; Cordova, S.; Rovang, Dean C.

Minimization of the radiographic spot size and maximization of the radiation dose is a continuing long-range goal for development of electron beam driven X-ray radiography sources. In collaboration with members of the Atomic Weapons Establishment(AWE), Aldermaston UK, the Advanced Radiographic Technologies Dept. 1645 is conducting research on the development of X-ray sources for flash core-punch radiography. The Hydrodynamics Dept. at AWE has defined a near term radiographic source requirement for scaled core-punch experiments to be 250 rads{at}m with a 2.75 mm source spot-size. As part of this collaborative effort, Dept. 1645 is investigating the potential of the Self-Magnetic-Pinched (SMP) diode as a source for core-punch radiography. Recent experiments conducted on the RITS-6 accelerator [1,2] demonstrated the potential of the SMP diode by meeting and exceeding the near term radiographic requirements established by AWE. During the demonstration experiments, RITS-6 was configured with a low-impedance (40 {Omega}) Magnetically Insulated Transmission Line (MITL), which provided a 75-ns, 180-kA, 7.5-MeV forward going electrical pulse to the diode. The use of a low-impedance MITL enabled greater power coupling to the SMP diode and thus allowed for increased radiation output. In addition to reconfiguring the driver (accelerator), geometric changes to the diode were also performed which allowed for an increase in dose production without sacrificing the time integrated spot characteristics. The combination of changes to both the pulsed power driver and the diode significantly increased the source x-ray intensity.

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Metal fire implications for advanced reactors. Part 1, literature review

Olivier, Tara J.; Radel, Ross R.; Nowlen, Steven P.; Blanchat, Tom; Hewson, John C.

Public safety and acceptance is extremely important for the nuclear power renaissance to get started. The Advanced Burner Reactor and other potential designs utilize liquid sodium as a primary coolant which provides distinct challenges to the nuclear power industry. Fire is a dominant contributor to total nuclear plant risk events for current generation nuclear power plants. Utilizing past experience to develop suitable safety systems and procedures will minimize the chance of sodium leaks and the associated consequences in the next generation. An advanced understanding of metal fire behavior in regards to the new designs will benefit both science and industry. This report presents an extensive literature review that captures past experiences, new advanced reactor designs, and the current state-of-knowledge related to liquid sodium combustion behavior.

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Planar wire array performance scaling at multi-MA levels on the Saturn generator

Jones, Brent M.

A series of twelve shots were performed on the Saturn generator in order to conduct an initial evaluation of the planar wire array z-pinch concept at multi-MA current levels. Planar wire arrays, in which all wires lie in a single plane, could offer advantages over standard cylindrical wire arrays for driving hohlraums for inertial confinement fusion studies as the surface area of the electrodes in the load region (which serve as hohlraum walls) may be substantially reduced. In these experiments, mass and array width scans were performed using tungsten wires. A maximum total radiated x-ray power of 10 {+-} 2 TW was observed with 20 mm wide arrays imploding in {approx}100 ns at a load current of {approx}3 MA, limited by the high inductance. Decreased power in the 4-6 TW range was observed at the smallest width studied (8 mm). 10 kJ of Al K-shell x-rays were obtained in one Al planar array fielded. This report will discuss the zero-dimensional calculations used to design the loads, the results of the experiments, and potential future research to determine if planar wire arrays will continue to scale favorably at current levels typical of the Z machine. Implosion dynamics will be discussed, including x-ray self-emission imaging used to infer the velocity of the implosion front and the potential role of trailing mass. Resistive heating has been previously cited as the cause for enhanced yields observed in excess of jxB-coupled energy. The analysis presented in this report suggests that jxB-coupled energy may explain as much as the energy in the first x-ray pulse but not the total yield, which is similar to our present understanding of cylindrical wire array behavior.

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Terahertz detectors for long wavelength multi-spectral imaging

Shaner, Eric A.; Lyo, S.K.; Reno, J.L.; Wanke, Michael W.

The purpose of this work was to develop a wavelength tunable detector for Terahertz spectroscopy and imaging. Our approach was to utilize plasmons in the channel of a specially designed field-effect transistor called the grating-gate detector. Grating-gate detectors exhibit narrow-linewidth, broad spectral tunability through application of a gate bias, and no angular dependence in their photoresponse. As such, if suitable sensitivity can be attained, they are viable candidates for Terahertz multi-spectral focal plane arrays. When this work began, grating-gate gate detectors, while having many promising characteristics, had a noise-equivalent power (NEP) of only 10{sup -5} W/{radical}Hz. Over the duration of this project, we have obtained a true NEP of 10{sup -8} W/{radical}Hz and a scaled NEP of 10{sup -9}W/{radical}Hz. The ultimate goal for these detectors is to reach a NEP in the 10{sup -9{yields}-10}W/{radical}Hz range; we have not yet seen a roadblock to continued improvement.

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Understanding amine catalyzed silica polymerization : diatoms as bioarchitects

Lane, Todd L.; Robinson, David R.; Zendejas, Frank Z.

Current state-of-the-art biomimetic methodologies employed worldwide for the realization of self-assembled nanomaterials are adequate for certain unique applications, but a major breakthrough is needed if these nanomaterials are to obtain their true promise and potential. These routes typically utilize a 'top-down' approach in terms of controlling the nucleation, growth, and deposition of structured nanomaterials. Most of these techniques are inherently limited to primarily 2D and simple 3D structures, and are therefore limited in their ultimate functionality and field of use. Zeolites, one of the best-known and understood synthetic silica structures, typically possess highly ordered silica domains over very small length scales. The development of truly organized and hierarchical zeolites over several length scales remains an intense area of research world wide. Zeolites typically require high-temperature and complex synthesis routes that negatively impact certain economic parameters and, therefore, the ultimate utility of these materials. Nonetheless, zeolite usage is in the tons per year worldwide and is quickly becoming ubiquitous in its applications. In addition to these more mature aspects of current practices in materials science, one of the most promising fields of nanotechnology lies in the advent and control of biologically self-assembled materials, especially those involved with silica and other ceramics such as hydroxyapatite. Nature has derived, through billions of years of evolutionary steps, numerous methods by which fault-tolerant and mechanically robust structures can be created with exquisite control and precision at relatively low temperature ranges and pressures. Diatoms are one of the best known examples that exhibit this degree of structure and control known that is involved with the biomineralization of silica. Diatoms are eukaryotic algae that are ubiquitous in marine and freshwater environments. They are a dominant form of phytoplankton critical to global carbon fixation. The silicified cell wall of the diatom is called the frustule, and the intricate silica structure characteristic of a given species is known as the valve. There are two general classes of diatoms, based on their overall morphologies, the pennate and centric. Diatoms achieve their silicified structures in exact fashion through genetically inspired design rules coupled with precisely directed biochemistry occurring at temperatures ranging from a few degrees Celsius (polar species) to temperatures just over room temperature (tropical species). Different species of diatoms produce markedly different structures. To start with, there are two basic types of frustule macromorphologies: pennate diatoms display bilateral symmetry and centric diatoms show radial symmetry. There are thousands of permutations of these two basic forms and the micromorphology of the valve can be quite complex with all types of pore arrangements and morphologies (Figure 1.1). The detailed morphology of the cell wall of a given diatom species is reproduced with exactness, because the process is genetically encoded. Three types of cell wall proteins have been identified in diatoms; the frustulins, pleuralins, and silaffins. Frustulins are cell wall proteins that form an organic coat to protect the silica structures from dissolution into the aqueous environment. Pleuralins are associated with a specific subcomponent of the frustule during cell division, and play a role in hypotheca-epitheca development. Silaffins from Cylindrotheca fusiformis are short chain-length peptides that play a direct role in the silica polymerization process, and possess unique biochemical post-translation functionalization. Larger proteins with silaffin activity have recently been described in Thalassiosira pseudonana. Frustulins and pleuralins play no role in silica polymerization or structure formation in diatoms, whereas the silaffins are one of the primary polymerization determinants. In addition to the silaffins, a class of long-chain polyamines associated with diatom silica has been identified, and shown to also be involved in the silica polymerization process. The silaffins and polyamines are likely to be the two major determinants of silica polymerization in diatoms. Their involvement in the formation of higher order structure is unclear; there have been suggestions that they self-assemble in various combinations to form the final frustule structure but these are highly speculative as there is no substantial data to support this. It is clear from a long history of electron microscopic observations that a major determinant of silica structure in diatoms is generated by growth and molding of the silica deposition vesicle (SDV), the specialized intracellular compartment were the frustule is made. Diatoms are the focus of research activity on several fronts, including the processes by which their distinct silica frustules are formed.

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Characterizing the emissivity of materials under dynamic compression (final report for LDRD project 79877)

Dolan, Daniel H.

Temperature measurements are crucial to equation of state development, but difficult to perform reliably. In the case of infrared pyrometry, a large uncertainty comes from the fact that sample emissivity (the deviation from a blackbody) is unknown. In this project, a method for characterizing the emissivity of shocked materials was developed. By coupling infrared radiation from the National Synchrotron Light Source to a gas gun system, broad spectrum emissivity changes were studied to a peak stress of 8 GPa. Emissivity measurements were performed on standard metals (Al, Cr, Cu, and Pt) as well as a high emissivity coating developed at Sandia.

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Nanoporous films for epitaxial growth of single crystal semiconductor materials : final LDRD report

Burckel, David B.; Fan, Hongyou F.; Koleske, Daniel K.; Williams, John D.; Steen, William A.; Rowen, Adam M.

This senior council Tier 1 LDRD was focused on exploring the use of porous growth masks as a method for defect reduction during heteroepitaxial crystal growth. Initially our goal was to investigate porous silica as a growth mask, however, we expanded the scope of the research to include several other porous growth masks on various size scales, including mesoporous carbon, photolithographically patterned SU-8 and carbonized SU-8 structures. Use of photolithographically defined growth templates represents a new direction, unique in the extensive literature of patterned epitaxial growth, and presents the possibility of providing a single step growth mask. Additional research included investigation of pore viability via electrochemical deposition into high aspect ratio photoresist. This project was a small footprint research effort which, nonetheless, produced significant progress towards both the stated goal as well as unanticipated research directions.

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Statistical coarse-graining of molecular dynamics into peridynamics

Lehoucq, Richard B.; Silling, Stewart A.

This paper describes an elegant statistical coarse-graining of molecular dynamics at finite temperature into peridynamics, a continuum theory. Peridynamics is an efficient alternative to molecular dynamics enabling dynamics at larger length and time scales. In direct analogy with molecular dynamics, peridynamics uses a nonlocal model of force and does not employ stress/strain relationships germane to classical continuum mechanics. In contrast with classical continuum mechanics, the peridynamic representation of a system of linear springs and masses is shown to have the same dispersion relation as the original spring-mass system.

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Resolving the sign ambiguity in the singular value decomposition

Kolda, Tamara G.

Many modern data analysis methods involve computing a matrix singular value decomposition (SVD) or eigenvalue decomposition (EVD). Principal components analysis is the time-honored example, but more recent applications include latent semantic indexing, hypertext induced topic selection (HITS), clustering, classification, etc. Though the SVD and EVD are well-established and can be computed via state-of-the-art algorithms, it is not commonly mentioned that there is an intrinsic sign indeterminacy that can significantly impact the conclusions and interpretations drawn from their results. Here we provide a solution to the sign ambiguity problem and show how it leads to more sensible solutions.

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Results 78001–78200 of 96,771
Results 78001–78200 of 96,771