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At least 1,801 records · Page 100

Shuttle Systems 3-D Applications: Application of 3-D Graphics in Engineering Training for Shuttle Ground Processing

This project illustrates an animation of the orbiter mate to the external tank, an animation of the OMS POD installation to the orbiter, and a simulation of the landing gear mechanism at the Kennedy Space Center. A detailed storyboard was created to reflect each animation or simulation. Solid models were collected and translated into Pro/Engineer's prt and asm formats. These solid models included computer files of the: orbiter, external tank, solid rocket booster, mobile launch platform, transporter, vehicle assembly building, OMS POD fixture, and landing gear. A depository of the above solid models was established. These solid models were translated into several formats. This depository contained the following files: stl for sterolithography, stp for neutral file work, shrinkwrap for compression, tiff for photoshop work, jpeg for Internet use, and prt and asm for Pro/Engineer use. Solid models were created of the material handling sling, bay 3 platforms, and orbiter contact points. Animations were developed using mechanisms to reflect each storyboard. Every effort was made to build all models technically correct for engineering use. The result was an animated routine that could be used by NASA for training material handlers and uncovering engineering safety issues.

Godfrey, Gary S.↗

Simulating Catalysis with Realistic Pellet Geometries Using Mesoflow: A Case Study of Catalytic Propane Dehydrogenation

We present a case study of catalytic propane dehydrogenation with our open-source multiphysics solver, Mesoflow. The solver was developed to simulate reactive flow coupled to heterogeneous catalytic reactions and deactivation in the context of complex, mesoscale geometry. The method leverages cartesian block-structured adaptive mesh refinement to capture realistic catalyst microstructural features acquired directly from X-ray computed tomography data. A kinetic model for propane dehydrogenation and catalyst deactivation was developed based on temporal analysis of products (TAP) reactor experiments. The TAP reactor experiments allow for precise characterization of intrinsic kinetic reaction steps which are implemented into Mesoflow simulations to model the spatial and temporal evolution of reactants, products, and catalyst active sites. The short-term and long-term deactivation behavior is studied by using XCT data collected from fresh and aged catalyst pellets, which exhibit different microstructural features. This study employs time-splitting algorithms to connect disparate reaction and flow timescales, enabling the simulations to achieve realistic deactivation timescales on the order of minutes while the flow time-scales for small particles (100 microns) are several milliseconds. We also introduce a flexible automated python script that writes the necessary files to construct a Mesoflow simulation from user-created chemical mechanisms. We will also introduce a few new features that are added to Mesoflow such as higher order schemes, implicit chemistry integrators and the ability to run on AMD and NVIDIA graphics-processing-units.

AMReX↗

MATBOX, an Open-Source Microstructure Analysis Toolbox for Meshing, Generation, Segmentation, and Characterization of 3D Heterogenous Volumes

Battery performance is strongly correlated with electrode microstructural properties. To account for its impact, lithium-ion battery (LIB) models either abstract the microstructural heterogeneity of composite electrodes using effective macroscopic properties (macro- or meso- scale models) or directly solve the system of equations on the microstructure geometry or mesh (microstructure-scale models). Therefore, to be adequate, both families of models require information from the microstructure geometry, which can be provided by the numerical tool presented in this work. MATBOX is a MATLAB open-source application [1] developed by NREL for performing various microstructure-related tasks including microstructure numerical generation, image filtering and microstructure segmentation, microstructure characterization and correlation, visualization, and microstructure meshing. MATBOX was originally developed for the analysis of LIB electrode microstructures; however, the algorithms provided by the toolbox are widely applicable to other heterogeneous materials. The toolbox provides a user-friendly experience thanks to a Graphical-User Interface, requires no coding by the user, and is well documented. This presentation will illustrate various MATBOX features for the characterization of a LIB electrode, including a fully automated Representative Volume Element (RVE) analysis, the numerical generation of complex 'virtual' microstructure, including dual-layer electrodes and carbon-binder additive phase, and the meshing of a complex NMC/graphite full cell microstructure suitable for 3D finite-element modeling. Other modules (segmentation, visualization, and correlation) will be briefly presented. Thanks to its modular, open-source approach, MATBOX can easily incorporate third-party algorithms to eventually build a standard in the field that will benefit the whole scientific community. Effective diffusion coefficient [2], additive phase numerical generation [3], and meshing [4] third-party algorithms have been already integrated in the toolbox with more to come.

DIRECT ENERGY CONVERSION,MATHEMATICS AND COMPUTING↗

Fuzzy Adaptive Control for Intelligent Autonomous Space Exploration Problems

The principal objective of the research reported here is the re-design, analysis and optimization of our newly developed neural network fuzzy adaptive controller model for complex processes capable of learning fuzzy control rules using process data and improving its control through on-line adaption. The learned improvement is according to a performance objective function that provides evaluative feedback; this performance objective is broadly defined to meet long-range goals over time. Although fuzzy control had proven effective for complex, nonlinear, imprecisely-defined processes for which standard models and controls are either inefficient, impractical or cannot be derived, the state of the art prior to our work showed that procedures for deriving fuzzy control, however, were mostly ad hoc heuristics. The learning ability of neural networks was exploited to systematically derive fuzzy control and permit on-line adaption and in the process optimize control. The operation of neural networks integrates very naturally with fuzzy logic. The neural networks which were designed and tested using simulation software and simulated data, followed by realistic industrial data were reconfigured for application on several platforms as well as for the employment of improved algorithms. The statistical procedures of the learning process were investigated and evaluated with standard statistical procedures (such as ANOVA, graphical analysis of residuals, etc.). The computational advantage of dynamic programming-like methods of optimal control was used to permit on-line fuzzy adaptive control. Tests for the consistency, completeness and interaction of the control rules were applied. Comparisons to other methods and controllers were made so as to identify the major advantages of the resulting controller model. Several specific modifications and extensions were made to the original controller. Additional modifications and explorations have been proposed for further study. Some of these are in progress in our laboratory while others await additional support. All of these enhancements will improve the attractiveness of the controller as an effective tool for the on line control of an array of complex process environments.

Esogbue, Augustine O.↗

Quantum transport modelling of silicon nanobeams using heterogeneous computing scheme

We report the development of a powerful method for quantum transport calculations of nanowire/nanobeam structures with large cross sectional area. Our approach to quantum transport is based on Green's functions and tight-binding potentials. A linear algebraic formulation allows us to harness the massively parallel nature of Graphics Processing Units (GPUs) and our implementation is based on a heterogeneous parallel computing scheme with traditional processors and GPUs working together. Using our software tool, the electronic and quantum transport properties of silicon nanobeams with a realistic cross sectional area of ∼22.7 nm{sup 2} and a length of ∼81.5 nm—comprising 105 000 Si atoms and 24 000 passivating H atoms in the scattering region—are investigated. The method also allows us to perform significant averaging over impurity configurations—all possible configurations were considered in the case of single impurities. Finally, the effect of the position and number of vacancy defects on the transport properties was considered. It is found that the configurations with the vacancies lying closer to the local density of states (LDOS) maxima have lower transmission functions than the configurations with the vacancies located at LDOS minima or far away from LDOS maxima, suggesting both a qualitative method to tune or estimate optimal impurity configurations as well as a physical picture that accounts for device variability. Finally, we provide performance benchmarks for structures as large as ∼42.5 nm{sup 2} cross section and ∼81.5 nm length.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Modeling Toolkit for Comparing AC and DC Electrical Distribution Efficiency in Buildings

Recently, there has been considerable research interest in the potential for DC distribution systems in buildings instead of the traditional AC distribution systems. Due to the need for performing power conversions between DC and AC electricity, DC distribution may provide electrical efficiency advantages in some systems. To support comparative evaluations of AC-only, DC-only, and hybrid AC/DC distribution systems in buildings, a new modeling toolkit called the Building Electrical Efficiency Analysis Model (BEEAM) was developed and is described in this paper. To account for harmonics in currents or voltages arising from nonlinear devices, the toolkit implements harmonic power flow, along with nonlinear device behavioral descriptions derived from empirical measurements. This paper describes the framework, network equations, device representations, and an implementation of the toolkit in an open source software package, including a component library and graphical interface for creating circuits. Simulations of electrical behavior and device and system efficiencies using the toolkit are compared with experimental measurements of a small office environment in a variety of operating and load configurations. A detailed analysis of uncertainty estimation is also provided. Key findings were that a comparison of predicted versus measured efficiencies and power losses in the validation testbed using the initial toolkit implementation predicted device- and system-level efficiencies with reasonably good accuracy under both balanced and unbalanced AC scenarios. An uncertainty analysis also revealed that the maximum estimated error for system efficiency across all scenarios was 3%, and measured and modeled system efficiency agreed within the experimental uncertainty in approximately half of the scenarios. Based on the correspondence between simulation and measurement, the toolkit is proposed by the authors as a potentially useful tool for comparing efficiency in AC, DC, and hybrid AC/DC distribution systems in buildings.

DC distribution↗

Search for top squarks in the four-body decay mode with single lepton final states in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search for the pair production of the lightest supersymmetric partner of the top quark, the top squark ($ {\overset{\sim }{\textrm{t}}}_1 $), is presented. The search targets the four-body decay of the $ {\overset{\sim }{\textrm{t}}}_1 $, which is preferred when the mass difference between the top squark and the lightest supersymmetric particle is smaller than the mass of the W boson. This decay mode consists of a bottom quark, two other fermions, and the lightest neutralino ($ {\overset{\sim }{\chi}}_1^0 $), which is assumed to be the lightest supersymmetric particle. The data correspond to an integrated luminosity of 138 fb$^{−1}$ of proton-proton collisions at a center-of-mass energy of 13 TeV collected by the CMS experiment at the CERN LHC. Events are selected using the presence of a high-momentum jet, an electron or muon with low transverse momentum, and a significant missing transverse momentum. The signal is selected based on a multivariate approach that is optimized for the difference between m($ {\overset{\sim }{\textrm{t}}}_1 $) and m($ {\overset{\sim }{\chi}}_1^0 $). The contribution from leading background processes is estimated from data. No significant excess is observed above the expectation from standard model processes. The results of this search exclude top squarks at 95% confidence level for masses up to 480 and 700 GeV for m($ {\overset{\sim }{\textrm{t}}}_1 $) − m($ {\overset{\sim }{\chi}}_1^0 $) = 10 and 80 GeV, respectively.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Removal of Congo Red from Aqueous Solution by Hydroxyapatite Nanoparticles Loaded on Zein as an Efficient and Green Adsorbent: Response Surface Methodology and Artificial Neural Network-Genetic Algorithm

This study is based on the application of hydroxyapatite nanoparticles loaded on Zein (Zein/nHAp) as an efficient adsorbent for the removal of Congo red from aqueous solutions. The properties of the adsorbent were characterized using various techniques including FT-IR, XRD, FE-SEM, and BET. The influence of five parameters such as pH, temperature, contact time, initial dye concentration, and adsorbent dosage on the removal percentage of the dye was investigated. The optimum conditions of 5.83, 34.32 °C, 5.20 min, 392.10 ppm, and 0.007 g were achieved for pH, temperature, contact time, initial dye concentration, and adsorbent dosage, respectively. The maximum removal percentage of 99.48% was obtained under the optimum condition that exhibited high adsorption potential of the used adsorbent. Central composite design (CCD) under response surface methodology and artificial neural network-genetic algorithm (ANN-GA) were utilized for optimization of parameters. Comparison of the results of the two models in terms of coefficient of determination (R{sup 2}) and mean absolute percentage error confirmed the prediction potential of CCD and ANN-GA. Higher ability and accuracy of ANN-GA in prediction was found based on given results. The experimental equilibrium data were studied by Langmuir, Freundlich, Temkin and Dubinin-Radushkevic isotherm models and explored that the data well presented by Langmuir model with maximum adsorption capacity of 416.66 mg/g. The adsorption kinetic was well-fitted by the pseudo-second-order model. The thermodynamics of the adsorption displayed spontaneous and endothermic nature of the process. Regeneration investigation showed that Zein/nHAp can impressively be reused, indicating that the adsorbent was a promising one for the removal of Congo red from aqueous solution. Graphical Abstract: .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Three-dimensional assemblies built up by quantum dots in size-quantization regime: Band gap shifts due to size-distribution of cadmium selenide nanoparticles

In the present study, it is predicted that the band gap energy of a three-dimensional quantum dot assembly exhibits a red shift when the dispersion of the crystal size distribution is enlarged, even at a fixed average value thereof. The effect is manifested when the size quantization regime in individual quantum dots constituting the assembly has been entered. Under the same conditions, the sub-band gap absorption tails are characterized with large Urbach energies, which could be one or two orders of magnitude larger than the value characteristic for the non-quantized case. - Graphical abstract: Band gap shifts due to size-distribution of nanoparticles in 3D assemblies built up by quantum dots in size-quantization regime. Display Omitted - Highlights: • Optical absorption of 3D QD assemblies in size-quantization regime is modeled. • Band gap energy of the QD solid depends on the size-distribution of the nanoparticles. • QD solid samples with same 〈R〉 exhibit band gap shift depending on size distribution. • QD size distribution leads to large Urbach energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The impact of oxygen nonstoichiometry upon partial molar thermodynamic quantities in PrBaCo{sub 2}O{sub 5+δ}

The coulometric titration data are utilized in order to calculate changes of oxygen partial entropy and enthalpy in PrBaCo{sub 2}O{sub 5+δ} with variations of oxygen content and temperature. The thermodynamic equilibrium of the cobaltite with the ambient gas phase is analyzed based on the interface of oxygen exchange and oxidation, and the intrinsic reaction of thermal excitation of Co{sup 3+} cations. The partial thermodynamic functions of the movable oxygen in PrBaCo{sub 2}O{sub 5+δ} are shown to be interrelated with the thermodynamic parameters of the defect formation reactions. The existence of a band gap of about 0.4 eV in the electronic spectrum of the cobaltite follows from a favorable comparison of the calculated and experimental dependencies of the partial thermodynamic functions of the movable oxygen. - Graphical abstract: Partial thermodynamic functions of movable oxygen in PrBaCo{sub 2}O{sub 5+δ}. - Highlights: • Thermodynamic functions of oxygen in PrBaCo{sub 2}O{sub 5+δ} are obtained from pO{sub 2}–T–δ diagram. • The defect model is developed to describe changes in thermodynamic functions. • Thermodynamic analysis gives evidence to a band gap in PrBaCo{sub 2}O{sub 5+δ}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental and theoretical methods to study structural phase transition mechanisms in K{sub 3}WO{sub 3}F{sub 3} oxyfluoride

The results of structural phase transitions mechanisms study in K{sub 3}WO{sub 3}F{sub 3}oxyfluoride are represented by different experimental and theoretical methods. The structural phase transition anomalies at T{sub 1}=452 K and T{sub 2}=414 K of Raman and IR spectra have been analyzed. Using vibrational spectroscopy methods, the NMR-experiment has been done to clarify the nature of found phase transitions: displacive types or order-disorder types. The model of “disordered” crystal was proposed, and the results of lattice dynamics calculation in frameworks of the generalized Gordon–Kim method of ordered (R3) and “disordered” crystals were compared. The high pressure phases were studied by the Raman technique too. - Graphical abstract: (1) Two possible configuration of octahedra. (2). All phases Raman lines of octahedra. (3) All phases IR lines of octahedra. (4) NMR spectra of all phases. - Highlights: • The results of study oxyfluoride K{sub 3}WO{sub 3}F{sub 3} are represented by Raman, IR, NMR technique. • The high pressure phases were studied by the Raman technique. • The anionic octahedra [WO{sub 3}F{sub 3}]{sup 3−} are not ordered below the both phase transitions. • The ferroelectric phase is realized due to the shift of atoms without F/O ordering. • Both of found phase transitions are close to the second order.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetic force microscopy study of domain walls in Co{sub 2}Z ferrite

Graphical abstract: - Highlights: • Hexaferrite Co{sub 2}Z is synthesized through the modified Pechini method. • Magnetic domains are observed in anisotropic Co{sub 2}Z single grain using MFM. • Observed single grain domain thickness is in good agreement with Dotsh model. - Abstract: Hexaferrite Co{sub 2}Z was synthesized through the modified Pechini method. Partially oriented samples were obtained after consolidation with uniaxial pressing and calcination/sintering at 1300 °C/1330 °C. The sample composition and morphology was identified with X-ray diffractometry (XRD) and scanning electron microscopy (SEM) with energy-dispersive X-ray spectrometry (EDS). MFM studies of the single grains revealed a domain structure with 0.7 μm wide. The Co{sub 2}Z static magnetization was measured with a vibrating sample magnetometer (VSM), and was used to calculate a single grain domain with a thickness of 4.8 μm. This result is in good agreement with SEM observations of the single grain thickness.

36 MATERIALS SCIENCE↗

TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations

The encapsulation and commoditization of electronic structure arise naturally as interoperability, and the use of nontraditional compute resources (e.g., new hardware accelerators, cloud computing) remains important for the computational chemistry community. Here, we present TERACHEM CLOUD, a high-performance computing service (HPCS) that offers on-demand electronic structure calculations on both traditional HPC clusters and cloud-based hardware. The framework is designed using off-the-shelf web technologies and containerization to be extremely scalable and portable. Within the HPCS model, users can quickly develop new methods and algorithms in an interactive environment on their laptop while allowing TERACHEM CLOUD to distribute ab initio calculations across all available resources. This approach greatly increases the accessibility of hardware accelerators such as graphics processing units (GPUs) and flexibility for the development of new methods as additional electronic structure packages are integrated into the framework as alternative backends. Cost-performance analysis indicates that traditional nodes are the most cost-effective long-term solution, but commercial cloud providers offer cutting-edge hardware with competitive rates for short-term large-scale calculations. We demonstrate the power of the TERACHEM CLOUD framework by carrying out several showcase calculations, including the generation of 300,000 density functional theory energy and gradient evaluations on medium-sized organic molecules and reproducing 300 fs of nonadiabatic dynamics on the B800-B850 antenna complex in LH2, with the latter demonstration using over 50 Tesla V100 GPUs in a commercial cloud environment in 8 h for approximately $1250.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vaporization response of evaporating drops with finite thermal conductivity

A numerical computing procedure was developed for calculating vaporization histories of evaporating drops in a combustor in which travelling transverse oscillations occurred. The liquid drop was assumed to have a finite thermal conductivity. The system of equations was solved by using a finite difference method programmed for solution on a high speed digital computer. Oscillations in the ratio of vaporization of an array of repetitivity injected drops in the combustor were obtained from summation of individual drop histories. A nonlinear in-phase frequency response factor for the entire vaporization process to oscillations in pressure was evaluated. A nonlinear out-of-phase response factor, in-phase and out-of-phase harmonic response factors, and a Princeton type 'n' and 'tau' were determined. The resulting data was correlated and is presented in graphical format. Qualitative agreement with the open literature is obtained in the behavior of the in-phase response factor. Quantitatively the results of the present finite conductivity spray analysis do not correlate with the results of a single drop model.

Agosta, V. D.↗

Space communication link propagation data for selected cities within the multiple beam and steerable antenna coverage areas of the advanced communications technology satellite

Rain attenuation propagation data for 68 cities within the coverage area of the multiple beam and steerable antennas of the Advanced Communications Technology Satellite (ACTS) are presented. These data provide the necessary data base for purposes of communication link power budgeting and rain attenuation mitigation controller design. These propagation parameters are derived by applying the ACTS Rain Attenuation Prediction Model to these 68 locations. The propagation parameters enumerated in tabular form for each location are as follows: (1) physical description of the link and location (e.g., latitude, longitude, antenna elevation angle, etc.), link availability versus attenuation margin (also in graphical form), fading time across fade depths of 3, 5, 8, and 15 dB versus fade duration, and required fade control response time for controller availabilities of 99.999, 99.99, 99.9, and 99 percent versus sub-threshold attenuation levels. The data for these specific locations can be taken to be representative of regions near these locations.

Manning, Robert M.↗

Development and application of structural dynamics analysis capabilities

Extensive research activities were performed in the area of multidisciplinary modeling and simulation of aerospace vehicles that are relevant to NASA Dryden Flight Research Facility. The efforts involved theoretical development, computer coding, and debugging of the STARS code. New solution procedures were developed in such areas as structures, CFD, and graphics, among others. Furthermore, systems-oriented codes were developed for rendering the code truly multidisciplinary and rather automated in nature. Also, work was performed in pre- and post-processing of engineering analysis data.

Heinemann, Klaus W.↗

Aerodynamic Assessment of Flight-Determined Subsonic Lift and Drag Characteristics of Seven Lifting-Body and Wing-Body Reentry Vehicle Configurations

This report examines subsonic flight-measured lift and drag characteristics of seven lifting-body and wing-body reentry vehicle configurations with truncated bases. The seven vehicles are the full-scale M2-F1, M2-F2, HL-10, X-24A, X-24B, and X-15 vehicles and the Space Shuttle Enterprise. Subsonic flight lift and drag data of the various vehicles are assembled under aerodynamic performance parameters and presented in several analytical and graphical formats. These formats are intended to unify the data and allow a greater understanding than individually studying the vehicles allows. Lift-curve slope data are studied with respect to aspect ratio and related to generic wind-tunnel model data and to theory for low-aspect-ratio platforms. The definition of reference area is critical for understanding and comparing the lift data. The drag components studied include minimum drag coefficient, lift-related drag, maximum lift-to drag ratio, and, where available, base pressure coefficients. The influence of forebody drag on afterbody and base drag at low lift is shown to be related to Hoerner's compilation for body, airfoil, nacelle, and canopy drag. This feature may result in a reduced need of surface smoothness for vehicles with a large ratio of base area to wetted area. These analyses are intended to provide a useful analytical framework with which to compare and evaluate new vehicle configurations of the same generic family.

Saltzman, Edwin J.↗

Flight Performance Handbook for Orbital Operations: Orbital Mechanics and Astrodynamics Formulae, Theorems, Techniques, and Applications

This handbook provides parametric data useful both to the space vehicle designer and mission analyst. It provides numerical and analytical relationships between missions and gross vehicle characteristics as a function of performance parameters. The effects of missile constraints and gross guidance limitations plus operational constraints such as launch site location, tracking net location, orbit visibility and mission on trajectory and orbit design parameters are exhibited. The influence of state-of- the-art applications of solar power as compared to future applications of nuclear power on orbit design parameters, such as eclipse time, are among the parameters included in the study. The principal aim, however, is in providing the analyst with useful parametric design information to cover the general area of earth satellite missions in the region of near-earth to cislunar space and beyond and from injection to atmospheric entry and controlled descent. The chapters are organized around the central idea of orbital operations in the 1961-1969 era with emphasis on parametric flight mechanics studies for ascent phase and parking orbits, transfer maneuvers, rendezvous maneuver, operational orbit considerations, and operational orbit control. The results are based almost entirely on the principles of flight and celestial mechanics. Numerous practical examples have been worked out in detail. This is especially important where it has been difficult or impossible to represent all possible variations of the parameters. The handbook contains analytical formulae and sufficient textual material to permit their proper use. The analytic methods consist of both exact and rapid, approximate methods. Scores of tables, working graphs and illustrations amplify the mathematical models which, together with important facts and data, cover the engineering and scientific applications of orbital mechanics. Each of the five major chapters are arranged to provide a rapid review of an entire astrodynamic subject. By the use of compact graphical and tabular presentation the full scope of the material is made available in an easy-to-use style. Throughout the volume the analyst is shown, by means of suitable introductions, notes, authoritative examples, and cross-references the vital interrelation of the various orbital mechanics topics in the general field of earth satellites and satellite rendezvous. The handbook is designed to give the analyst rapid, reliable access to the mathematics of orbital mechanics needed for virtually any working requirements.

Ambrosio, Alphonso↗

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