This paper presents a new map representing the structure of all of science, based on journal articles, including both the natural and social sciences. Similar to cartographic maps of our world, the map of science provides a bird's eye view of today's scientific landscape. It can be used to visually identify major areas of science, their size, similarity, and interconnectedness. In order to be useful, the map needs to be accurate on a local and on a global scale. While our recent work has focused on the former aspect, this paper summarizes results on how to achieve structural accuracy. Eight alternative measures of journal similarity were applied to a data set of 7,121 journals covering over 1 million documents in the combined Science Citation and Social Science Citation Indexes. For each journal similarity measure we generated two-dimensional spatial layouts using the force-directed graph layout tool, VxOrd. Next, mutual information values were calculated for each graph at different clustering levels to give a measure of structural accuracy for each map. The best co-citation and inter-citation maps according to local and structural accuracy were selected and are presented and characterized. These two maps are compared to establish robustness. The inter-citation map is then used to examine linkages between disciplines. Biochemistry appears as the most interdisciplinary discipline in science.
The Z accelerator [R.B. Spielman, W.A. Stygar, J.F. Seamen et al., Proceedings of the 11th International Pulsed Power Conference, Baltimore, MD, 1997, edited by G. Cooperstein and I. Vitkovitsky (IEEE, Piscataway, NJ, 1997), Vol. 1, p. 709] at Sandia National Laboratories delivers {approx}20 MA load currents to create high magnetic fields (>1000 T) and high pressures (megabar to gigabar). In a z-pinch configuration, the magnetic pressure (the Lorentz force) supersonically implodes a plasma created from a cylindrical wire array, which at stagnation typically generates a plasma with energy densities of about 10 MJ/cm{sup 3} and temperatures >1 keV at 0.1% of solid density. These plasmas produce x-ray energies approaching 2 MJ at powers >200 TW for inertial confinement fusion (ICF) and high energy density physics (HEDP) experiments. In an alternative configuration, the large magnetic pressure directly drives isentropic compression experiments to pressures >3 Mbar and accelerates flyer plates to >30 km/s for equation of state (EOS) experiments at pressures up to 10 Mbar in aluminum. Development of multidimensional radiation-magnetohydrodynamic codes, coupled with more accurate material models (e.g., quantum molecular dynamics calculations with density functional theory), has produced synergy between validating the simulations and guiding the experiments. Z is now routinely used to drive ICF capsule implosions (focusing on implosion symmetry and neutron production) and to perform HEDP experiments (including radiation-driven hydrodynamic jets, EOS, phase transitions, strength of materials, and detailed behavior of z-pinch wire-array initiation and implosion). This research is performed in collaboration with many other groups from around the world. A five year project to enhance the capability and precision of Z, to be completed in 2007, will result in x-ray energies of nearly 3 MJ at x-ray powers >300 TW.
Terahertz radiation from optically-induced plasmas on metal, semiconductor, and dielectric surfaces is compared to electron-hole plasma radiation from GaAs and Ge. Electro-optic sampling and electric-field probes measure radiated field waveforms and distributions to 0.350 THz.
Gold nanocrystal(NC)/silica films are synthesized through self-assembly of water-soluble gold nanocrystal micelles and silica by sol-gel processing. Absorption and transmission spectra show a strong surface plasmon resonance absorption peak at {approx}520 nm. Angular excitation spectra of surface plasmon show a steep dip in the reflectivity curve at {approx}65{sup o} depending on the thickness and refractive index of the gold NC/silica film. A potential SPR sensor with enhanced sensitivities can be realized based on these gold NC/silica films.
Cold spray, a new member of the thermal spray process family, can be used to prepare dense, thick metal coatings. It has tremendous potential as a spray-forming process. However, it is well known that significant cold work occurs during the cold spray deposition process. This cold work results in hard coatings but relatively brittle bulk deposits. This work investigates the mechanical properties of cold-sprayed aluminum and the effect of annealing on those properties. Cold spray coatings approximately 1 cm thick were prepared using three different feedstock powders: Valimet H-10; Valimet H-20; and Brodmann Flomaster. ASTM E8 tensile specimens were machined from these coatings and tested using standard tensile testing procedures. Each material was tested in two conditions: as-sprayed; and after a 300 C, 22 h air anneal. The as-sprayed material showed high ultimate strength and low ductility, with <1% elongation. The annealed samples showed a reduction in ultimate strength but a dramatic increase in ductility, with up to 10% elongation. The annealed samples exhibited mechanical properties that were similar to those of wrought 1100 H14 aluminum. Microstructural examination and fractography clearly showed a change in fracture mechanism between the as-sprayed and annealed materials. These results indicate good potential for cold spray as a bulk-forming process.
Laser-induced breakdown spectroscopy (LIBS) was used in the evaluation of aerosol concentration in the exhaust of an oxygen/natural-gas glass furnace. Experiments showed that for a delay time of 10 {micro}s and a gate width of 50 {micro}s, the presence of CO{sub 2} and changes in gas temperature affect the intensity of both continuum emission and the Na D lines. The intensity increased for the neutral Ca and Mg lines in the presence of 21% CO{sub 2} when compared to 100% N{sub 2}, whereas the intensity of the Mg and Ca ionic lines decreased. An increase in temperature from 300 to 730 K produced an increase in both continuum emission and Na signal. These laboratory measurements were consistent with measurements in the glass furnace exhaust. Time-resolved analysis of the spark radiation suggested that differences in continuum radiation resulting from changes in bath composition are only apparent at long delay times. The changes in the intensity of ionic and neutral lines in the presence of CO{sub 2} are believed to result from higher free electron number density caused by lower ionization energies of species formed during the spark decay process in the presence of CO{sub 2}. For the high Na concentration observed in the glass furnace exhaust, self-absorption of the spark radiation occurred. Power law regression was used to fit laboratory Na LIBS calibration data for sodium loadings, gas temperatures, and a CO{sub 2} content representative of the furnace exhaust. Improvement of the LIBS measurement in this environment may be possible by evaluation of Na lines with weaker emission and through the use of shorter gate delay times.
The junction temperature of AlGaN ultraviolet light-emitting diodes emitting at 295 nm is measured by using the temperature coefficients of the diode forward voltage and emission peak energy. The high-energy slope of the spectrum is explored to measure the carrier temperature. A linear relation between junction temperature and current is found. Analysis of the experimental methods reveals that the diode-forward voltage is the most accurate ({+-}3 C). A theoretical model for the dependence of the diode forward voltage (V{sub f}) on junction temperature (T{sub j}) is developed that takes into account the temperature dependence of the energy gap. A thermal resistance of 87.6 K/W is obtained with the device mounted with thermal paste on a heat sink.
The effect of temperature on the tensile properties of annealed 304L stainless steel and HERF 304L stainless steel forgings was determined by completing experiments over the moderate range of -40 F to 160 F. Temperature effects were more significant in the annealed material than the HERF material. The tensile yield strength of the annealed material at -40 F averaged twenty two percent above the room temperature value and at 160 F averaged thirteen percent below. The tensile yield strength for the three different geometry HERF forgings at -40 F and 160 F changed less than ten percent from room temperature. The ultimate tensile strength was more temperature dependent than the yield strength. The annealed material averaged thirty six percent above and fourteen percent below the room temperature ultimate strength at -40 F and 160 F, respectively. The HERF forgings exhibited similar, slightly lower changes in ultimate strength with temperature. For completeness and illustrative purposes, the stress-strain curves are included for each of the tensile experiments conducted. The results of this study prompted a continuation study to determine tensile property changes of welded 304L stainless steel material with temperature, documented separately.
Several groups of plastic molded CD4011 were electrically tested as part of an Army dormant storage program. For this test, parts had been in storage in missile containers for 4.5 years. Eight of the parts (out of 1200) failed the electrical tests and were subsequently analyzed to determine the cause of the failures. The root cause was found to be corrosion of the unpassivated Al bondpads. No significant attack of the passivated Al traces was found. Seven of the eight failures occurred in parts stored on a preposition ship (Jeb Stuart), suggesting a link between the external environment and observed corrosion.
Social and ecological scientists emphasize that effective natural resource management depends in part on understanding the dynamic relationship between the physical and non-physical process associated with resource consumption. In this case, the physical processes include hydrological, climatological and ecological dynamics, and the non-physical process include social, economic and cultural dynamics among humans who do the resource consumption. This project represents a case study aimed at modeling coupled social and physical processes in a single decision support system. In central New Mexico, individual land use decisions over the past five decades have resulted in the gradual transformation of the Middle Rio Grande Valley from a primarily rural agricultural landscape to a largely urban one. In the arid southwestern U.S., the aggregate impact of individual decisions about land use is uniquely important to understand, because scarce hydrological resources will likely limit the viability of resulting growth and development trajectories. This decision support tool is intended to help planners in the area look forward in their efforts to create a collectively defined 'desired' social landscape in the Middle Rio Grande. Our research question explored the ways in which socio-cultural values impact decisions regarding that landscape and associated land use. Because of the constraints hydrological resources place on land use, we first assumed that water use, as embodied in water rights, was a reasonable surrogate for land use. We thought that modeling the movement of water rights over time and across water source types (surface and ground) would provide planners with insight into the possibilities for certain types of decisions regarding social landscapes, and the impact those same decisions would have on those landscapes. We found that water rights transfer data in New Mexico is too incomplete and inaccurate to use as the basis for the model. Furthermore, because of its lack of accuracy and completeness, water rights ownership was a poor indicator of water and land usage habits and patterns. We also found that commitment among users in the Middle Rio Grande Valley is to an agricultural lifestyle, not to a community or place. This commitment is conditioned primarily by generational cohort and past experience. If conditions warrant, many would be willing to practice the lifestyle elsewhere. A related finding was that sometimes the pressure to sell was not the putative price of the land, but the taxes on the land. These taxes were, in turn, a function of the level of urbanization of the neighborhood. This urbanization impacted the quality of the agricultural lifestyle. The project also yielded some valuable lessons regarding the model development process. A facilitative and collaborative style (rather than a top-down, directive style) was most productive with the inter-disciplinary , inter-institutional team that worked on the project. This allowed for the emergence of a process model which combined small, discipline- and/or task-specific subgroups with larger, integrating team meetings. The project objective was to develop a model that could be used to run test scenarios in which we explored the potential impact of different policy options. We achieved that objective, although not with the level of success or modeling fidelity which we had hoped for. This report only describes very superficially the results of test scenarios, since more complete analysis of scenarios would require more time and effort. Our greatest obstacle in the successful completion of the project was that required data were sparse, of poor quality, or completely nonexistent. Moreover, we found no similar modeling or research efforts taking place at either the state or local level. This leads to a key finding of this project: that state and local policy decisions regarding land use, development, urbanization, and water resource allocation are being made with minimal data and without the benefit of economic or social policy analysis.
Warm dense matter is the region in phase space of density and temperature where the thermal, Fermi, and Coulomb energies are approximately equal. The lack of a dominating scale and physical behavior makes it challenging to model the physics to high fidelity. For Sandia, a fundamental understanding of the region is of importance because of the needs of our experimental HEDP programs for high fidelity descriptive and predictive modeling. We show that multi-scale simulations of macroscopic physical phenomena now have predictive capability also for difficult but ubiquitous materials such as stainless steel, a transition metal alloy.
Imagine free-standing flexible membranes with highly-aligned arrays of carbon nanotubes (CNTs) running through their thickness. Perhaps with both ends of the CNTs open for highly controlled nanofiltration? Or CNTs at heights uniformly above a polymer membrane for a flexible array of nanoelectrodes or field-emitters? How about CNT films with incredible amounts of accessible surface area for analyte adsorption? These self-assembled crystalline nanotubes consist of multiple layers of graphene sheets rolled into concentric cylinders. Tube diameters (3-300 nm), inner-bore diameters (2-15 nm), and lengths (nanometers - microns) are controlled to tailor physical, mechanical, and chemical properties. We proposed to explore growth and characterize nanotube arrays to help determine their exciting functionality for Sandia applications. Thermal chemical vapor deposition growth in a furnace nucleates from a metal catalyst. Ordered arrays grow using templates from self-assembled hexagonal arrays of nanopores in anodized-aluminum oxide. Polymeric-binders can mechanically hold the CNTs in place for polishing, lift-off, and membrane formation. The stiffness, electrical and thermal conductivities of CNTs make them ideally suited for a wide-variety of possible applications. Large-area, highly-accessible gas-adsorbing carbon surfaces, superb cold-cathode field-emission, and unique nanoscale geometries can lead to advanced microsensors using analyte adsorption, arrays of functionalized nanoelectrodes for enhanced electrochemical detection of biological/explosive compounds, or mass-ionizers for gas-phase detection. Materials studies involving membrane formation may lead to exciting breakthroughs in nanofiltration/nanochromatography for the separation of chemical and biological agents. With controlled nanofilter sizes, ultrafiltration will be viable to separate and preconcentrate viruses and many strains of bacteria for 'down-stream' analysis.
Chemical microsensors rely on partitioning of airborne chemicals into films to collect and measure trace quantities of hazardous vapors. Polymer sensor coatings used today are typically slow to respond and difficult to apply reproducibly. The objective of this project was to produce a durable sensor coating material based on graphitic nanoporous-carbon (NPC), a new material first studied at Sandia, for collection and detection of volatile organic compounds (VOC), toxic industrial chemicals (TIC), chemical warfare agents (CWA) and nuclear processing precursors (NPP). Preliminary studies using NPC films on exploratory surface-acoustic-wave (SAW) devices and as a {micro}ChemLab membrane preconcentrator suggested that NPC may outperform existing, irreproducible coatings for SAW sensor and {micro}ChemLab preconcentrator applications. Success of this project will provide a strategic advantage to the development of a robust, manufacturable, highly-sensitive chemical microsensor for public health, industrial, and national security needs. We use pulsed-laser deposition to grow NPC films at room-temperature with negligible residual stress, and hence, can be deposited onto nearly any substrate material to any thickness. Controlled deposition yields reproducible NPC density, morphology, and porosity, without any discernable variation in surface chemistry. NPC coatings > 20 {micro}m thick with density < 5% that of graphite have been demonstrated. NPC can be 'doped' with nearly any metal during growth to provide further enhancements in analyte detection and selectivity. Optimized NPC-coated SAW devices were compared directly to commonly-used polymer coated SAWs for sensitivity to a variety of VOC, TIC, CWA and NPP. In every analyte, NPC outperforms each polymer coating by multiple orders-of-magnitude in detection sensitivity, with improvements ranging from 103 to 108 times greater detection sensitivity! NPC-coated SAW sensors appear capable of detecting most analytes tested to concentrations below parts-per-billion. In addition, the graphitic nature of NPC enables thermal stability > 600 C, several hundred degrees higher than the polymers. This superior thermal stability will enable higher-Temperature preconcentrator operation, as well as greatly prolonged device reliability, since polymers tend to degrade with time and repeated thermal cycling.
The convergence of nanoscience and biotechnology has opened the door to the integration of a wide range of biological molecules and processes with synthetic materials and devices. A primary biomolecule of interest has been DNA based upon its role as information storage in living systems, as well as its ability to withstand a wide range of environmental conditions. DNA also offers unique chemistries and interacts with a range of biomolecules, making it an ideal component in biological sensor applications. The primary goal of this project was to develop methods that utilize in vitro DNA synthesis to provide spatial localization of nanocrystal quantum dots (nQDs). To accomplish this goal, three specific technical objectives were addressed: (1) attachment of nQDs to DNA nucleotides, (2) demonstrating the synthesis of nQD-DNA strands in bulk solution, and (3) optimizing the ratio of unlabeled to nQD-labeled nucleotides. DNA nucleotides were successfully attached to nQDs using the biotin-streptavidin linkage. Synthesis of 450-nm long, nQD-coated DNA strands was demonstrated using a DNA template and the polymerase chain reaction (PCR)-based method of DNA amplification. Modifications in the synthesis process and conditions were subsequently used to synthesize 2-{micro}m long linear nQD-DNA assemblies. In the case of the 2-{micro}m structures, both the ratio of streptavidin-coated nQDs to biotinylated dCTP, and streptavidin-coated nQD-dCTPs to unlabeled dCTPs affected the ability to synthesize the nQD-DNA assemblies. Overall, these proof-of-principles experiments demonstrated the successful synthesis of nQD-DNA using DNA templates and in vitro replication technologies. Continued development of this technology may enable rapid, spatial patterning of semiconductor nanoparticles with Angstrom-level resolution, as well as optically active probes for DNA and other biomolecular analyses.
A combined experimental/modeling study was conducted to better understand the critical role of gas-surface interactions in rarefied gas flows. An experimental chamber and supporting diagnostics were designed and assembled to allow simultaneous measurements of gas heat flux and inter-plate gas density profiles in an axisymmetric, parallel-plate geometry. Measurements of gas density profiles and heat flux are made under identical conditions, eliminating an important limitation of earlier studies. The use of in situ, electron-beam fluorescence is demonstrated as a means to measure gas density profiles although additional work is required to improve the accuracy of this technique. Heat flux is inferred from temperature-drop measurements using precision thermistors. The system can be operated with a variety of gases (monatomic, diatomic, polyatomic, mixtures) and carefully controlled, well-characterized surfaces of different types (metals, ceramics) and conditions (smooth, rough). The measurements reported here are for 304 stainless steel plates with a standard machined surface coupled with argon, helium, and nitrogen. The resulting heat-flux and gas-density-profile data are analyzed using analytic and computational models to show that a simple Maxwell gas-surface interaction model is adequate to represent all of the observations. Based on this analysis, thermal accommodation coefficients for 304 stainless steel coupled with argon, nitrogen, and helium are determined to be 0.88, 0.80, and 0.38, respectively, with an estimated uncertainty of {+-}0.02.
Time domain reflectometry (TDR) operates by propagating a radar frequency electromagnetic pulse down a transmission line while monitoring the reflected signal. As the electromagnetic pulse propagates along the transmission line, it is subject to impedance by the dielectric properties of the media along the transmission line (e.g., air, water, sediment), reflection at dielectric discontinuities (e.g., air-water or water-sediment interface), and attenuation by electrically conductive materials (e.g., salts, clays). Taken together, these characteristics provide a basis for integrated stream monitoring; specifically, concurrent measurement of stream stage, channel profile and aqueous conductivity. Here, we make novel application of TDR within the context of stream monitoring. Efforts toward this goal followed three critical phases. First, a means of extracting the desired stream parameters from measured TDR traces was required. Analysis was complicated by the fact that interface location and aqueous conductivity vary concurrently and multiple interfaces may be present at any time. For this reason a physically based multisection model employing the S11 scatter function and Cole-Cole parameters for dielectric dispersion and loss was developed to analyze acquired TDR traces. Second, we explored the capability of this multisection modeling approach for interpreting TDR data acquired from complex environments, such as encountered in stream monitoring. A series of laboratory tank experiments were performed in which the depth of water, depth of sediment, and conductivity were varied systematically. Comparisons between modeled and independently measured data indicate that TDR measurements can be made with an accuracy of {+-}3.4x10{sup -3} m for sensing the location of an air/water or water/sediment interface and {+-}7.4% of actual for the aqueous conductivity. Third, monitoring stations were sited on the Rio Grande and Paria rivers to evaluate performance of the TDR system under normal field conditions. At the Rio Grande site (near Central Bridge in Albuquerque, New Mexico) continuous monitoring of stream stage and aqueous conductivity was performed for 6 months. Additionally, channel profile measurements were acquired at 7 locations across the river. At the Paria site (near Lee's Ferry, Arizona) stream stage and aqueous conductivity data were collected over a 4-month period. Comparisons drawn between our TDR measurements and USGS gage data indicate that the stream stage is accurate within {+-}0.88 cm, conductivity is accurate within {+-}11% of actual, and channel profile measurements agree within {+-}1.2 cm.