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At least 181 records · Page 10

Open and Close-Packed, Shape-Engineered Polygonal Nanoparticle Metamolecules with Tailorable Fano Resonances

In this study, a top-down lithographic patterning and deposition process is reported for producing nanoparticles (NPs) with well-defined sizes, shapes, and compositions that are often not accessible by wet-chemical synthetic methods. These NPs are ligated and harvested from the substrate surface to prepare colloidal NP dispersions. Using a template-assisted assembly technique, fabricated NPs are driven by capillary forces to assemble into size- and shape-engineered templates and organize into open or close-packed multi-NP structures or NP metamolecules. The sizes and shapes of the NPs and of the templates control the NP number, coordination, interparticle gap size, disorder, and location of defects such as voids in the NP metamolecules. The plasmonic resonances of polygonal-shaped Au NPs are exploited to correlate the structure and optical properties of assembled NP metamolecules. Comparing open and close-packed architectures highlights that introduction of a center NP to form close-packed assemblies supports collective interactions, altering magnetic optical modes and multipolar interactions in Fano resonances. Decreasing the distance between NPs strengthens the plasmonic coupling, and the structural symmetries of the NP metamolecules determine the orientation-dependent scattering response.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Computing material volume fractions on a superimposed mesh as applied to Monte Carlo particle transport simulations

Here, we present a newly implemented ray tracing algorithm in OpenMC for efficiently computing material volume fractions on superimposed meshes in complex geometries. By firing rays along each coordinate direction through the geometry, the approach accumulates track-length data in each mesh element, thereby determining the fractional composition of each material. Scaling studies on three different models—a random tetrahedra configuration, the Frascati Neutron Generator ITER dose rate benchmark, and a stellarator design—show excellent parallel performance, with nearly linear speedup on modern multi-threaded and distributed-memory systems. An analysis of the residual error relative to high-resolution reference solutions demonstrated that under optimal conditions it decreases as 1/R, where R is the number of rays fired, making it straightforward to achieve user-prescribed accuracy. This new functionality enables practical, mesh-based approaches for detailed nuclear analyses in production Monte Carlo workflows without resorting to expensive, fully conformal or unstructured meshing.

Monte Carlo↗

Water-Rock Interactions in Outer Solar System Bodies: Evidence from the Coordinated Analysis of Interplanetary Dust

NASA has an ongoing program of collecting interplanetary dust particles (IDPs) in the stratosphere using high altitude research aircraft. The collected IDPs are derived from asteroids and comets and here we report studies of a subset of hydrated IDPs rich in carbonaceous matter that are proposed to have a cometary origin. Our studies are aimed at understanding the evolution of oxygen reservoirs in the Solar System and their interaction with cometary minerals and organic matter. The small size (<20 μm) and fragility of these IDPs present a number of analytical challenges. We have pioneered techniques for performing chemical, mineralogical, isotopic, and spectroscopic measurements on the same sample in a carefully coordinated sequence. Coordinated analyses of nanogram-size samples is made possible by several delicate sample preparation techniques. To avoid organic contamination, we embed IDPs in elemental sulfur and use ultramicrotomy to partly section the particles (the first few micrometers). Multiple thin sections (50-70 nm thick) are placed on different substrates depending on the analysis technique. We use a JEOL 2500SE scanning, transmission electron microscope (STEM) to determine the mineralogy, microstructure, and elemental compositions of constituent minerals in the thin sections through a combination of high resolution imaging, electron diffraction, quantitative energy-dispersive x-ray mapping, and electron energy-loss spectroscopy. Following the STEM analyses, we use a NanoSIMS 50L for high spatial resolution isotopic measurements of H, C, N, and O to search for presolar grains and to understand the origin of the indigenous organic matter. The isotopic analyses are performed on the same sections analyzed in the STEM in order to correlate isotopic properties with the elemental and mineralogical data. We reserve other thin sections for non-destructive analyses utilizing synchrotron-based techniques including Fourier-transform infrared (FTIR) micro-spectroscopy and X-ray absorption near-edge structure (XANES) analyses, especially for functional group analysis of organic matter in the particles. The remainder of the IDP is extracted from the sulfur bead that was used for microtomy and is pressed into Au foil for quantitative analysis (including light elements) using a JEOL 8530F field emission electron probe microanalyzer (EPMA). After the EPMA measurements, high precision oxygen isotopic analyses are obtained using Cameca IMS1270/1290 instruments at UCLA. The hydrated IDPs in this study are dominated by saponitic clays, with minor magnetite, carbonate and abundant organic matter. The remarkable oxygen isotopic compositions, high carbon contents, and the abundance of isotopically anomalous organic matter, together suggest that the high carbon, hydrated IDPs are derived from primitive sources not yet represented in meteorite collections such as outer main belt P- and D-type asteroids or comets.

Keller, Lindsay P.↗

DC Fast Charging Infrastructure for Electrified Road Trips

To assess DC fast charging station network required for electrified road trips by 2030 in California, a new charging infrastructure simulation tool/model, EVI-Pro (Electric Vehicle Infrastructure Projection) RoadTrip, has been developed. In contrast to the existing EVI-Pro model that is primarily for short-distance travels, EVI-Pro RoadTrip is exclusively focused on road trips (long-distance travels, 100 or miles per day per vehicle). Also, the charging paradigm or strategy is different. EVI-Pro RoadTrip is built upon waypoint charging, in which vehicles are forced to stop to charge or replenish the on-board batteries, along the routes between origins and destinations. On the other hand, EVI-Pro is based on destination charging, in which charging is conducted when vehicles are parked in destinations (e.g., work, home). EVI-Pro RoadTrip takes coordinate-level origin and destination data for road trips (intra-state as well as domestic or international out-of-state) and estimates energy consumption and charging needs along the routes between origins and destinations on a minute-by-minute resolution. Based on charging demands for electrified road trips across the state, the optimal locations of charging stations are determined accounting for preferred land use types (e.g., commercial areas) and station service area (e.g., 5 or less miles). Based on station-by-station charging load profiles, the required number of plugs/connectors is estimated for each station and entire state. By comparing hosting capacity of the electric grid (circuit-level) and the charging load output from EVI-Pro RoadTrip, capacity deficit is also evaluated.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗

Distributed Rules-Based Deconfliction of ADMS Applications: Part 1: Requirements & Decomposition

This work introduces a rules-based deconfliction methodology for resolving conflicting device control commands issued by advanced power applications considering a range of technical, economic, environmental, and social objectives. The methodology is designed to serve as one of multiple alternative implementations (along with application cooperation and global optimization) for the numerical component of the Deconfliction Pipeline. Development of the methodology is divided into two parts. This first document introduces the requirements, context, and methods for decomposing the deconfliction problem using the Laminar Coordination Framework and Variable Grid Structures. The deconfliction problem is decomposed into a distributed optimization problem based on the concept of quasi-static grid segments, which form independent distributed areas for control and coordination. Selection of the optimal number of decompositions of the deconfliction problem should be made based on a tradeoff analysis between computational speed and global optimality. This second document will define an initial set of technical, economic, and environmental criteria, as well as thirty specific qualitative rules that are used as part of the deconfliction methodology to eliminate non-viable setpoint alternatives. The deconfliction optimization problem is converted into a ranking of individual discrete setpoints, which are scored by the extent to which they satisfy specific decision criteria. The ranking is determined through the concepts of deconfliction exclusivity, priority, and preference. Several multi-criteria decision-making frameworks are examined with the simple multi-attribute rating technique exploiting ranks (SMARTER) recommended as a simple implementation alternative that aligns with the steps of the rules-based deconfliction methodology.

97 MATHEMATICS AND COMPUTING↗

Exit flow from a transonic compressor rotor

The three dimensional unsteady flow field behind a transonic compressor rotor with a design pressure ratio of 1.6 at a tip Mach number of 1.2 has been resolved on the blade passing time scale. Quantities determined were total and static pressures, tangential flow angle, and radial flow angle. The spatial and temporal resolution achieved was sufficient to determine velocity components inside individual blade wakes and in the surrounding flow. From these measurements the flow structure is described at stations immediately behind the rotor and one chord downstream. Some dominant features of the flow just behind the rotor are large radial velocity components, large static pressure fluctuations near the blade wakes, and definite unsteadiness (in rotor coordinates) of the wakes. The wake behavior one chord downstream is described in terms of the effect of the strong mean swirl on the behavior of shear disturbances. In the outer portion of the annulus, where the mean flow approximates a solid body rotation, a strong, persistent oscillatory flow is found with 16 periods in the circumference as roughly predicted by theory. In the inner portion of the annulus the disturbances attenuate axially.

Thompkins, W. T., Jr.↗

Impingement of Droplets in 90 deg Elbows with Potential Flow

Trajectories were determined for droplets in air flowing through 90 deg elbows especially designed for two-dimensional potential motion with low pressure losses. The elbows were established by selecting as walls of each elbow two streamlines of the flow field produced by a complex potential function that establishes a two-dimensional flow around a 90 deg bend. An unlimited number of elbows with slightly different shapes can be established by selecting different pairs of streamlines as walls. The elbows produced by the complex potential function selected are suitable for use in aircraft air-intake ducts. The droplet impingement data derived from the trajectories are presented along with equations in such a manner that the collection efficiency, the area, the rate, and the distribution of droplet impingement can be determined for any elbow defined by any pair of streamlines within a portion of the flow field established by the complex potential function. Coordinates for some typical streamlines of the flow field and velocity components for several points along these streamlines are presented in tabular form.

Hacker, Paul T.↗

Determination of real machine-tool settings and minimization of real surface deviation by computerized inspection

A numerical method is developed for the minimization of deviations of real tooth surfaces from the theoretical ones. The deviations are caused by errors of manufacturing, errors of installment of machine-tool settings and distortion of surfaces by heat-treatment. The deviations are determined by coordinate measurements of gear tooth surfaces. The minimization of deviations is based on the proper correction of initially applied machine-tool settings. The contents of accomplished research project cover the following topics: (1) Descriptions of the principle of coordinate measurements of gear tooth surfaces; (2) Deviation of theoretical tooth surfaces (with examples of surfaces of hypoid gears and references for spiral bevel gears); (3) Determination of the reference point and the grid; (4) Determination of the deviations of real tooth surfaces at the points of the grid; and (5) Determination of required corrections of machine-tool settings for minimization of deviations. The procedure for minimization of deviations is based on numerical solution of an overdetermined system of n linear equations in m unknowns (m much less than n ), where n is the number of points of measurements and m is the number of parameters of applied machine-tool settings to be corrected. The developed approach is illustrated with numerical examples.

Litvin, Faydor L.↗

Distributed Rules-Based Deconfliction of ADMS Applications - Part 2: Conceptual Implementation

This work introduces a rules-based deconfliction methodology for resolving conflicting device control commands issued by advanced power applications considering a range of technical, economic, environmental, and social objectives. The methodology is designed to serve as one of multiple alternative implementations (along with application cooperation and global optimization) for the numerical component of the Deconfliction Pipeline. Development of the methodology is divided into two parts. The first document previously defined the requirements, context, and methods for decomposing the deconfliction problem using the Laminar Coordination Framework and Variable Grid Structures. The deconfliction problem was decomposed into a distributed optimization problem based on the concept of quasi-static grid segments, which form independent distributed areas for control and coordination. It was recommended that selection of the optimal number of decompositions of the deconfliction problem be made based on a tradeoff analysis between computational speed and global optimality. This second document defines an initial set of technical, economic, and environmental criteria, as well as thirty specific qualitative rules that are used as part of the deconfliction methodology to eliminate non-viable setpoint alternatives. The deconfliction optimization problem is converted into a ranking of individual discrete setpoints, which are scored by the extent to which they satisfy specific decision criteria. The ranking is determined through the concepts of deconfliction exclusivity, priority, and preference. Several multi-criteria decision-making frameworks are examined with the simple multi-attribute rating technique exploiting ranks (SMARTER) recommended as a simple implementation alternative that aligns with the steps of the rules-based deconfliction methodology.

97 MATHEMATICS AND COMPUTING↗

Federal Workplace Charging Program Guide

The 2015 Fixing America's Surface Transportation (FAST) Act authorizes the installation, operation, and maintenance of electric vehicle supply equipment (EVSE) for the purpose of recharging employees' privately owned vehicles (POVs) under the custody or control of the General Services Administration (GSA) or a Federal agency. It requires the collection of fees to recover the costs of installing, operating, and maintaining this equipment and imposes reporting requirements. This program guide reviews those requirements, excerpts the relevant language in Appendix A, and describes when and how fees may be required to cover costs of electricity, network costs, EVSE units, and installations in various scenarios. This program guide is designed to support Federal agencies developing and refining workplace charging programs for employee POVs. While it provides guidance and best practices, it does not replace agencywide policies or agency-specific legal counsel. It contains a roadmap for agency workplace charging programs and defines roles and responsibilities. This guide explains how to determine the number of POVs likely to charge at a given site and contains a sample employee survey in Appendix B. It reviews EVSE planning, including unit selection and acquisition, charger location(s), accounting for available power capacity, using existing infrastructure, and funding an incentive program. It also discusses the costs associated with EVSE acquisition, installation, and network management. These costs inform the subsequently provided information, which describes how to amortize costs to determine appropriate fees for each charging session. The final two sections of this guide address aspects of ongoing program management that the facility coordinator should consider and the reporting requirements associated with the FAST Act. The insights in this guide are applicable to all agency-owned and GSA-leased buildings or facilities offering the use of EVSE or a 120-volt receptacle for the purpose of recharging an employee's POV. However, the FAST Act requirements typically do not apply to any building or facility operated and maintained by a third-party vendor offering the use of EVSE as part of a commercial building lease unless the agency is managing the station and/or energy on behalf of the building and collecting POV fees.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Boron coordination change in barium borate melts and glasses and its contribution to configurational heat capacity, entropy, and fragility

High-energy x-ray diffraction from molten and glassy BaB 2 O 4 and BaB 4 O 7 has been performed using aerodynamic levitation and laser heating over a wide range of temperatures. Remarkably, even in the presence of a heavy metal modifier dominating x-ray scattering, it was possible to extract accurate values for the tetrahedral, sp 3 , boron fraction, N 4 , which declines with increasing temperature, using bond valence-based mapping from the measured mean B–O bond lengths while accounting for vibrational thermal expansion. These are used within a boron-coordination-change model to extract enthalpies, ΔH, and entropies, ΔS, of isomerization between sp 2 and sp 3 boron. The results for BaB 4 O 7 , ΔH = 22(3) kJ mol -1 boron, ΔS = 19(2) J mol -1 boron K -1 , agree quantitatively with those found previously for Na 2 B 4 O 7 . Analytical expressions for N 4 (J, T) and associated configurational heat capacity, $C_{P}^{conf}$(J, T), and entropy, S conf (J, T), contributions are extended to cover a wide composition range 0 ≤ J = BaO/B 2 O 3 ≤ 3 using a model for ΔH(J) and ΔS(J) derived empirically for lithium borates. Maxima in the $C_{P}^{conf}$(J, T g ) and fragility index contributions are thereby predicted for J ≲ 1, higher than the maximum observed and predicted in N 4 (J, T g ) at J ≃ 0.6. We discuss the utility of the boron-coordination-change isomerization model in the context of borate liquids containing other modifiers and the prospect of neutron diffraction to aid in empirical determinations of modifier-dependent effects, illustrated by new neutron diffraction data on Ba 11 B 4 O 7 glass, its well-known α-polymorph, and lesser-known δ-phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Surface Analysis Insight Note: Observations relating to photoemission peak shapes, oxidation state, and chemistry of titanium oxide films

It is common practice to describe the coordination of metal atoms in a binding configuration with their nearest neighbors in terms of oxidation state, a measure by which the number of electrons redistributed between atoms forming chemical bonds. In XPS terms, change to an oxidation state is commonly inferred by correlating photoemission signal with binding energy. The assumption, when classifying photoemission signals into distinct spectral shapes, is that a distribution of intensities shifted to lower binding energy is evidence of a reduction in oxidation state. In this Insight note, we raise the prospect that changes in photoemission peak shape may occur without obvious changes, determined by XPS in stoichiometry for a material. It is well known that TiO 2 measured by XPS yields reproducible Ti 2p photoemission peaks. However, on exposing TiO 2 to ion beams, Ti 2p photoemission evolves to complex distributions in intensity, which are particularly difficult to analyze by traditional fitting of bell-shaped curves to these data. For these reasons, in this Insight note, a thin film of TiO 2 deposited on a silicon substrate is chosen for analysis by XPS and linear algebraic techniques. Alterations in spectral shapes created from modified TiO 2 , which might be interpreted as the change in oxidation state, are assessed in terms of relative proportions of titanium to oxygen. It is found through detailed analysis of spectra that quantification by XPS, using procedures routinely used in practice, is not in accord with the typical interpretations of photoemission shapes. The data processing methods used and results presented in this work are of particular relevance to elucidating fundamental phenomena governing the surface evolution of materials-enabled energy processes where cyclic/non-steady usage changes the nature of bonding, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A General Simulator Using State Estimation for a Space Tug Navigation System

A general simulation program is presented (GSP) involving nonlinear state estimation for space vehicle flight navigation systems. A complete explanation of the iterative guidance mode guidance law, derivation of the dynamics, coordinate frames, and state estimation routines are given so as to fully clarify the assumptions and approximations involved so that simulation results can be placed in their proper perspective. A complete set of computer acronyms and their definitions as well as explanations of the subroutines used in the GSP simulator are included. To facilitate input/output, a complete set of compatable numbers, with units, are included to aid in data development. Format specifications, output data phrase meanings and purposes, and computer card data input are clearly spelled out. A large number of simulation and analytical studies were used to determine the validity of the simulator itself as well as various data runs.

Boland, J. S., III↗

Coordination changes in liquid tin under shock compression determined using in situ femtosecond x-ray diffraction

Little is known regarding the liquid structure of materials compressed to extreme conditions, and even less is known about liquid structures undergoing rapid compression on nanosecond timescales. Here, we report on liquid structure factor and radial distribution function measurements of tin shock compressed to 84(19) GPa. High-quality, femtosecond x-ray diffraction measurements at the Linac Coherent Light Source were used to extract the liquid diffuse scattering signal. From the radial distribution function, we find that the structural evolution of the liquid with increasing pressure mimics the evolution of the solid phase. With increasing pressure, we find that the liquid structure evolves from a complex structure, with a low coordination number, to a simple liquid structure with a coordination number of ~12. We provide a pathway for future experiments to study liquids at elevated pressures using high-energy lasers to shock compress materials beyond the reach of static diamond anvil cell techniques.

X-ray diffraction↗

Analysis of impingement heat transfer for two parallel liquid-metal slot jets

An analytical method is developed for determining heat transfer by impinging liquid-metal slot jets. The method involves mapping the jet flow region, which is bounded by free streamlines, into a potential plane where it becomes a uniform flow in a channel of constant width. The energy equation is transformed into potential plane coordinates and is solved in the channel flow region. Conformal mapping is then used to transform the solution back into the physical plane and obtain the desired heat-transfer characteristics. The analysis given here determines the heat-transfer characteristics for two parallel liquid-metal slot jets impinging normally against a uniformly heated flat plate. The liquid-metal assumptions are made that the jets are inviscid and that molecular conduction is dominating heat diffusion. Wall temperature distributions along the heated plate are obtained as a function of spacing between the jets and the jet Peclet number.

Siegel, R.↗

Hippocampal place-cell firing during movement in three-dimensional space

"Place" cells of the rat hippocampus are coupled to "head direction" cells of the thalamus and limbic cortex. Head direction cells are sensitive to head direction in the horizontal plane only, which leads to the question of whether place cells similarly encode locations in the horizontal plane only, ignoring the z axis, or whether they encode locations in three dimensions. This question was addressed by recording from ensembles of CA1 pyramidal cells while rats traversed a rectangular track that could be tilted and rotated to different three-dimensional orientations. Cells were analyzed to determine whether their firing was bound to the external, three-dimensional cues of the environment, to the two-dimensional rectangular surface, or to some combination of these cues. Tilting the track 45 degrees generally provoked a partial remapping of the rectangular surface in that some cells maintained their place fields, whereas other cells either gained new place fields, lost existing fields, or changed their firing locations arbitrarily. When the tilted track was rotated relative to the distal landmarks, most place fields remapped, but a number of cells maintained the same place field relative to the x-y coordinate frame of the laboratory, ignoring the z axis. No more cells were bound to the local reference frame of the recording apparatus than would be predicted by chance. The partial remapping demonstrated that the place cell system was sensitive to the three-dimensional manipulations of the recording apparatus. Nonetheless the results were not consistent with an explicit three-dimensional tuning of individual hippocampal neurons nor were they consistent with a model in which different sets of cells are tightly coupled to different sets of environmental cues. The results are most consistent with the statement that hippocampal neurons can change their "tuning functions" in arbitrary ways when features of the sensory input or behavioral context are altered. Understanding the rules that govern the remapping phenomenon holds promise for deciphering the neural circuitry underlying hippocampal function.

Non-NASA Center↗

Crossed, Small-Deflection Energy Analyzer for Wind/Temperature Spectrometer

Determination of neutral winds and ion drifts in low-Earth-orbit missions requires measurements of the angular and energy distributions of the flux of neutrals and ions entering the satellite from the ram direction. The magnitude and direction of the neutral-wind (or ion-drift) determine the location of the maximum in the angular distribution of the flux. Knowledge of the angle of maximum flux with respect to satellite coordinates (pointing) is essential to determine the wind (or ion-drift) vector. The crossed Small-Deflection Energy Analyzer (SDEA) spectrometer (see Figure 1) occupies minimal volume and consumes minimal power. Designed for upper atmosphere/ionosphere investigations at Earth altitudes above 100 km, the spectrometer operates by detecting the angular and energy distributions of neutral atoms/molecules and ions in two mutually perpendicular planes. In this configuration, the two detection planes actually cross at the spectrometer center. It is possible to merge two SDEAs so they share a common optical axis and alternate measurements between two perpendicular planes, and reduce the number of ion sources from two to one. This minimizes the volume and footprint significantly and reduces the ion source power by a factor of two. The area of the entrance aperture affects the number of ions detected/second and also determines the energy resolution. Thermionic emitters require heater power of about 100 mW to produce 1 mA of electron beam current. Typically, electron energy is about 100 eV and requires a 100-V supply for electron acceleration to supply an additional 100 mW of power. Thus, ion source power is at most 200 mW. If two ion sources were to be used, the ion source power would be, at most, 400 mW. Detector power, deflection voltage power, and microcontroller and other functions require less than 150 mW. A WTS (wind/ temperature spectrometer) with two separate optical axes would consume about 650 mW, while the crossed SDEA described here consumes about 350 mW. The entrance aperture has a diameter of 0.004 in. (0.10 mm) to provide the required energy resolution between 0.05 and 0.15. This design (see Figure 2) provides a WTS occupying a volume less than 40 cm(sup 3), on a footprint of diameter about 1.5 in. (38 mm). The Crossed SDEA offers many advantages in the measurements of neutral wind and ion drifts in the Earth's thermosphere. As such, it will be useful in future commercial satellites dedicated to monitoring the ionosphere with a view to improving the integrity and predictability of GPS operations.

Herrero, Federico A.↗

Stresses and deformations in cross-ply composite tubes subjected to a uniform temperature change: Elasticity and Approximate Solutions

The effects of a uniform temperature change on the stresses and deformations of composite tubes are investigated. The accuracy of an approximate solution based on the principle of complementary virtual work is determined. Interest centers on tube response away from the ends and so a planar elasticity approach is used. For the approximate solution a piecewise linear variation of stresses with the radial coordinate is assumed. The results from the approximate solution are compared with the elasticity solution. The stress predictions agree well, particularly peak interlaminar stresses. Surprisingly, the axial deformations also agree well. This, despite the fact that the deformations predicted by the approximate solution do not satisfy the interface displacement continuity conditions required by the elasticity solution. The study shows that the axial thermal expansion coefficient of tubes with a specific number of axial and circumferential layers depends on the stacking sequence. This is in contrast to classical lamination theory which predicts the expansion to be independent of the stacking arrangement. As expected, the sign and magnitude of the peak interlaminar stresses depends on stacking sequence.

Hyer, M. W.↗