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At least 325 records · Page 18

Massively Parallel Dantzig-Wolfe Decomposition Applied to Traffic Flow Scheduling

Optimal scheduling of air traffic over the entire National Airspace System is a computationally difficult task. To speed computation, Dantzig-Wolfe decomposition is applied to a known linear integer programming approach for assigning delays to flights. The optimization model is proven to have the block-angular structure necessary for Dantzig-Wolfe decomposition. The subproblems for this decomposition are solved in parallel via independent computation threads. Experimental evidence suggests that as the number of subproblems/threads increases (and their respective sizes decrease), the solution quality, convergence, and runtime improve. A demonstration of this is provided by using one flight per subproblem, which is the finest possible decomposition. This results in thousands of subproblems and associated computation threads. This massively parallel approach is compared to one with few threads and to standard (non-decomposed) approaches in terms of solution quality and runtime. Since this method generally provides a non-integral (relaxed) solution to the original optimization problem, two heuristics are developed to generate an integral solution. Dantzig-Wolfe followed by these heuristics can provide a near-optimal (sometimes optimal) solution to the original problem hundreds of times faster than standard (non-decomposed) approaches. In addition, when massive decomposition is employed, the solution is shown to be more likely integral, which obviates the need for an integerization step. These results indicate that nationwide, real-time, high fidelity, optimal traffic flow scheduling is achievable for (at least) 3 hour planning horizons.

Rios, Joseph Lucio↗

A New Method for the Accurate Calculation of Derivatives at Structured Multiblock Grid Singularities

The new Structured Mapping At Reduced dimension Topology elements (SMART) method for the accurate calculation of derivatives at multiblock structured grid block interfaces is presented. In the SMART method, a ’local’ curvilinear mapping is defined at each interface point, giving a consistent multidimensional definition of the derivatives. The resulting system of equations is overdetermined, and a least squares method is used to determine the value of the derivatives in the local coordinate system. In the special case of a nonsingular interface point, the SMART method automatically recovers the spatial differencing stencils used at the interior points in the neighboring grid blocks.

Computational Aeroacoustics↗

Capsule_Grid User Guide

Software utility CAPSULE_GRID and several related procedures that automate grid generation for computational fluid dynamics calculations about axisymmetric atmospheric entry vehicles are described as a supplement to the documentation within the source codes. This application program and its ancillary software utilities are all in the public domain at the web site https://software.nasa.gov/software/category/all/arc/1/cfdtools with the exception of the 2D hyperbolic volume gridding step for which scripts driving either GRIDGEN1 or HYPGEN2 are available. CAPSULE_GRID was developed at NASA Ames Research Center in support of the DPLR3 real gas flow solver. Both forebodies (only) and full bodies are treated, for axisymmetric 2D flow calculations or for 3D calculations at angle of attack. The expected application is to the smooth outer mold line of a hypersonic atmospheric entry vehicle, for which a single layer of point-matched structured grid blocks normally suffices. Control files for a variety of representative cases are included with illustrations of results, and some insights into the subtleties of curvature-based grid point distribution are provided. Gridding of a capsule on a sting is supported. Additional procedures for treating arbitrarily long 2D wakes, prompted by asteroid studies and relevant to spacecraft such as Stardust, are also documented. Most recently, treating an asymmetric forebody (including an off-center nose, with or without an aft body) has been incorporated as an extra step.

spacecraft↗

Crystalline Aluminosilicates for Radionuclide Remediation

Crystalline aluminosilicates have a wide range of applications such as media for the capture and/or immobilization of radionuclides. Several different types of metal-exchanged zeolites have been successfully demonstrated as effective sorbents for gaseous, aqueous, or solid-state capture and immobilization of radionuclides including iodine [e.g., I2(g), CH3I(g)], xenon, krypton, radium (e.g., 226Ra and 228Ra), selenium (e.g., 79Se6+), technetium (e.g., 99TcO4-), strontium (e.g., 90Sr2+), cesium (e.g., 135Cs+, 137Cs+), mixed alkali halide streams (i.e., iodide and chloride salts), and actinides (e.g., U6+, Th4+). These zeolites include sodalite (SOD), mordenite (MOR or Z-type), faujasite (FAU), Linde type-A (LTA), cancrinite (CAN), gismondine (GIS), and heulandite (or clinoptilolite) (HEU). The structural building blocks of these seven materials vary from cages (e.g., a-cages, ß-cages, e-cages) to channels linking various cage types and these are mostly comprised of aluminosilicates. This chapter will delve into the crystallographic differences between these framework materials and provide a brief overview of literature data where these seven crystalline aluminosilicates have been utilized for the capture and/or immobilization of radionuclides. Metal-exchanged zeolites (e.g., MOR, FAU, LTA) have often been the source of study for gaseous capture of iodine where the more promising compositions include Ag-exchanged sorbents; these types of materials can be made in a variety of robust forms including berl saddles and extrudates. Sodalite can be used as an immobilization strategy for halide waste streams (e.g., Cl, I), including those from electrochemical reprocessing of used nuclear fuel, as well as TcO4–. Cancrinite has been demonstrated to enhance sorption capacity of sediments for several problematic ionic radionuclides including Cs+, SeO42–, and TcO4–. Actinides such as U6+ and Th4+ have been successfully captured from solutions using MOR, FAU, LTA, and HEU-type aluminosilicates. Finally, mixtures of aluminosilicates have been included in a set of zeolite materials that show promise as sorbents for 226Ra and 228Ra removal from mine waters.

zeolites, aluminosilicates, radionuclide remediati↗

Block-Krylov component synthesis method for structural model reduction

A new analytical method is presented for generating component shape vectors, or Ritz vectors, for use in component synthesis. Based on the concept of a block-Krylov subspace, easily derived recurrence relations generate blocks of Ritz vectors for each component. The subspace spanned by the Ritz vectors is called a block-Krylov subspace. The synthesis uses the new Ritz vectors rather than component normal modes to reduce the order of large, finite-element component models. An advantage of the Ritz vectors is that they involve significantly less computation than component normal modes. Both 'free-interface' and 'fixed-interface' component models are derived. They yield block-Krylov formulations paralleling the concepts of free-interface and fixed-interface component modal synthesis. Additionally, block-Krylov reduced-order component models are shown to have special disturbability/observability properties. Consequently, the method is attractive in active structural control applications, such as large space structures. The new fixed-interface methodology is demonstrated by a numerical example. The accuracy is found to be comparable to that of fixed-interface component modal synthesis.

Craig, Roy R., Jr.↗

3D‐Printed Carbon Nanoneedle Electrodes for Dopamine Detection in Drosophila

In vivo electrochemistry in small brain regions or synapses requires nanoelectrodes with long straight tips for submicron scale measurements. Nanoelectrodes can be fabricated using a Nanoscribe two-photon printer, but annealed tips curl if they are long and thin. We propose a new pulling-force strategy to fabricate a straight carbon nanoneedle structure. A micron-width bridge is printed between two blocks. The annealed structure shrinks during pyrolysis, and the blocks create a pulling force to form a long, thin, and straight carbon bridge. Parameterization study and COMSOL modeling indicate changes in the block size, bridge size and length affect the pulling force and bridge shrinkage. Electrodes were printed on niobium wires, insulated with aluminum oxide, and the bridge cut with focused ion beam (FIB) to expose the nanoneedle tip. Annealed needle diameters ranged from 400 nm to 5.25 μm and length varied from 50.5 μm to 146 μm. The electrochemical properties are similar to glassy carbon, with good performance for dopamine detection with fast-scan cyclic voltammetry. Nanoelectrodes enable biological applications, such as dopamine detection in a specific Drosophila brain region. Long and thin nanoneedles are generally useful for other applications such as cellular sensing, drug delivery, or gas sensing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamic models for simulation of the 70-M antenna axis servos

Dynamic models for the various functional elements of the 70 m antenna axis servos are described. The model representing the digital position controller, the linear and nonlinear properties of the physical hardware, and the dynamics of the flexible antenna structure are encoded in six major function blocks. The general modular structure of the function blocks facilitates their adaptation to a variety of dynamic simulation studies. Model parameter values were calculated from component specifications and design data. A simulation using the models to predict limit cycle behavior produced results in excellent agreement with field test data from the DSS 14 70-m antenna.

Hill, R. E.↗

From lignin to market: a technical and economic perspective of reductive depolymerization approaches

Lignin has grown into one of the main candidates to replace fossil-based resources as it is the largest renewable source of aromatic building blocks. The complex structure of polymeric lignin, however, requires depolymerization to simpler building blocks for the chemical industry. One of the most promising depolymerization approaches is reductive depolymerization of which two process configurations are currently studied in pilot scale installations for upscaling to industrial scale: (i) reductive catalytic fractionation (RCF), and (ii) reductive catalytic depolymerization (RCD). Both technical and techno-economic aspects will be covered within this review, discussing the advantages and challenges of both approaches regarding processing, production costs, product output, and applications. In this regard, RCF benefits from its decreased energy and solvent consumption linked with being a one-step process and delivers a product with a high monomer content (∼25–45 wt%). RCD, on the other hand, has the advantage of continuous processing and reduced catalyst fouling and delivers a product that mainly consists of oligomers (<10 wt% monomers). The complete overview of both processes presented here addresses their potential, and can guide future researchers, policy makers and companies to make thoughtful decisions on lignin valorization.

09 BIOMASS FUELS↗

Dynamic Structure and Phase Behavior of a Block Copolymer Electrolyte under dc Polarization

There is an important consideration when designing lithium battery electrolytes for advanced applications is how the electrolyte facilitates ion transport at fast charge and discharge rates. Large current densities are accompanied by large salt concentration gradients across the electrolyte. Nanostructured composite electrolytes have been proposed to enable the use of high energy density lithium metal anodes, but many questions about the interplay between the electrolyte morphology and the salt concentration gradient that forms under dc polarization remain unanswered. To address these questions, we use an in situ small-angle X-ray scattering technique to examine the nanostructure of a polystyrene- block -poly(ethylene oxide) copolymer electrolyte under dc polarization with spatial and temporal resolution. In the quiescent state, the electrolyte exhibits a lamellar morphology. The passage of ionic current in a lithium symmetric cell leads to the formation of concurrent phases: a disordered morphology near the negative electrode, lamellae in the center of the cell, and coexisting lamellae and gyroid near the positive electrode. The most surprising result of this study was obtained after the applied electric field was turned off: a current-induced gyroid phase grows in volume for 6 h in spite of the absence of an obvious driving force. We show that this reflects the formation of localized pockets of salt-dense electrolyte, termed concentration hotspots, under dc polarization. Our methods may be applied to understand the dynamic structure of composite electrolytes at appreciable current densities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder

Elongating RNA polymerase II (Pol II) can be paused or arrested by a variety of obstacles. These obstacles include DNA lesions, DNA-binding proteins, and small molecules. Hairpin pyrrole-imidazole (Py-Im) polyamides bind to the minor groove of DNA in a sequence-specific manner and induce strong transcriptional arrest. Remarkably, this Py-Im–induced Pol II transcriptional arrest is persistent and cannot be rescued by transcription factor TFIIS. In contrast, TFIIS can effectively rescue the transcriptional arrest induced by a nucleosome barrier. The structural basis of Py-Im–induced transcriptional arrest and why TFIIS cannot rescue this arrest remain elusive. Here we determined the X-ray crystal structures of four distinct Pol II elongation complexes (Pol II ECs) in complex with hairpin Py-Im polyamides as well as of the hairpin Py-Im polyamides–dsDNA complex. We observed that the Py-Im oligomer directly interacts with RNA Pol II residues, introduces compression of the downstream DNA duplex, prevents Pol II forward translocation, and induces Pol II backtracking. These results, together with biochemical studies, provide structural insight into the molecular mechanism by which Py-Im blocks transcription. Our structural study reveals why TFIIS fails to promote Pol II bypass of Py-Im–induced transcriptional arrest.

59 BASIC BIOLOGICAL SCIENCES↗

Geometric modeling of large space antenna deployment

A dynamic visualization of large antenna deployment was created to be used as a precursor to further analysis of the structure as it is being deployed. The configuration chosen for this investigation was a box-truss structure consisting of a large reflector 60 meters wide by 120 meters long with a 120-meter mast. The entire space structure is folded and compressed into a container 17.8 meters long by 3.75 meters in diameter for transportation to orbit by the Space Transportation System (STS). A geometric model of this structure was created using an interactive solid modeling package. The building blocks of the structure are boxes and cylinders which are put together to form elements connected by joints and hinges. The elements, joints, and hinges make up the box-truss structure. The geometric model was then passed to the MOVIE.BYU software package. The "utility" module of this program was used to manipulate the elements of the structure to represent 13 different stages of deployment. The "animate" command was then used to create a smooth sequence between stages. Each step in the sequence was recorded on magnetic tape and a short movie was produced.

Nazemetz, J.↗

AMTPS Development at NASA

Heat shield manufacturing has changed little in the last 60 years. State of the art designs utilize tiled, or block, configurations fabricated in segments and individually bonded to the vehicle structure. Gaps between blocks are then filled. These processes are hands on, labor intensive, and involve long lead times.

Thermal protection systems↗

Additive Manufacturing of Thermal Protection Systems (AMTPS)

Heat shield manufacturing has changed little in the last 60 years. State of the art designs utilize tiled, or block, configurations fabricated in segments and individually bonded to the vehicle structure. Gaps between blocks are then filled. These processes are hands on, labor intensive, and involve long lead times.

Thermal protection systems↗

Description of the F-16XL Geometry and Computational Grids Used in CAWAPI

The objective of the Cranked-Arrow Wing Aerodynamics Project International (CAWAPI) was to allow a comprehensive validation of Computational Fluid Dynamics methods against the CAWAP flight database. A major part of this work involved the generation of high-quality computational grids. Prior to the grid generation an IGES file containing the air-tight geometry of the F-16XL aircraft was generated by a cooperation of the CAWAPI partners. Based on this geometry description both structured and unstructured grids have been generated. The baseline structured (multi-block) grid (and a family of derived grids) has been generated by the National Aerospace Laboratory NLR. Although the algorithms used by NLR had become available just before CAWAPI and thus only a limited experience with their application to such a complex configuration had been gained, a grid of good quality was generated well within four weeks. This time compared favourably with that required to produce the unstructured grids in CAWAPI. The baseline all-tetrahedral and hybrid unstructured grids has been generated at NASA Langley Research Center and the USAFA, respectively. To provide more geometrical resolution, trimmed unstructured grids have been generated at EADS-MAS, the UTSimCenter, Boeing Phantom Works and KTH/FOI. All grids generated within the framework of CAWAPI will be discussed in the article. Both results obtained on the structured grids and the unstructured grids showed a significant improvement in agreement with flight test data in comparison with those obtained on the structured multi-block grid used during CAWAP.

Boelens, O. J.↗

Mechanics of distributed fault and block rotation

Paleomagnetic data, structural geology, and rock mechanics are used to explore the validity and significance of the block rotation concept. The analysis is based on data from Northern Israel, where fault slip and spacing are used to predict block rotation; the Mojave Desert, with well documented strike-slip sets; the Lake Mead, Nevada fault system with well-defined sets of strike-slip faults; and the San Gabriel Mountains domain with a multiple set of strike-slip faults. The results of the analysis indicate that block rotations can have a profound influence on the interpretation of geodetic measurments and the inversion of geodetic data. Furthermore, the block rotations and domain boundaries may be involved in creating the heterogeneities along active fault systems which may be responsible for the initiation and termination of earthquake rupture.

Nur, A.↗

Tharsis block tectonics on Mars

The concept of block tectonics provides a framework for understanding many aspects of Tharsis and adjoining structures. This Tharsis block tectonics on Mars is manifested partly by mantle-related doming and partly by response to loading by subsequent volcanic construction. Although the origin of the volcanism from beneath Tharsis is a subject of controversy explanations have to include inhomogeneities in Martian internal structure, energy distribution, magma accumulation and motion below the lithosphere. Thermal convection can be seen as a necessary consequence for transient initial phase of Martian cooling. This produced part of the elevated topography with tensional stresses and graben systems radial to the main bulge. The linear grabens, radial to the Tharsis center, can be interpreted to indicate rift zones that define the crustal block boundaries. The load-induced stresses may then have contributed on further graben and ridge formation over an extended period of time.

Raitala, Jouko T.↗