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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Clustering of red sequence galaxies in the fourth data release of the Kilo-Degree Survey

We present a sample of luminous red sequence galaxies as the basis for a study of the large-scale structure in the fourth data release of the Kilo-Degree Survey. The selected galaxies are defined by a red sequence template, in the form of a data-driven model of the colour-magnitude relation conditioned on redshift. In this work, the red sequence template was built using the broad-band optical+near infrared photometry of KiDS-VIKING and the overlapping spectroscopic data sets. The selection process involved estimating the red sequence redshifts, assessing the purity of the sample and estimating the underlying redshift distributions of redshift bins. After performing the selection, we mitigated the impact of survey properties on the observed number density of galaxies by assigning photometric weights to the galaxies. We measured the angular two-point correlation function of the red galaxies in four redshift bins and constrain the large-scale bias of our red sequence sample assuming a fixed ΛCDM cosmology. We find consistent linear biases for two luminosity-threshold samples (‘dense’ and ‘luminous’). We find that our constraints are well characterised by the passive evolution model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Processing Parameter Effects on Residual Stress and Mechanical Properties of Selective Laser Melted Ti6Al4V

Selective laser melting (SLM) process is characterized by large temperature gradients resulting in high levels of residual stress within the additively manufactured metallic structure. SLM-processed Ti6Al4V yields a martensitic microstructure due to the rapid solidification and results in a ductility generally lower than a hot working equivalent. Post-process heat treatments can be applied to SLM components to remove in-built residual stress and improve ductility. Residual stress buildup and the mechanical properties of SLM parts can be controlled by varying the SLM process parameters. This investigation studies the effect of layer thickness on residual stress and mechanical properties of SLM Ti6Al4V parts. This is the first-of-its kind study on the effect of varying power and exposure in conjunction with keeping the energy density constant on residual stress and mechanical properties of SLM Ti6Al4V components. It was found that decreasing power and increasing exposure for the same energy density lowered the residual stress and improved the % elongation of SLM Ti6Al4V parts. Increasing layer thickness resulted in lowering the residual stress at the detriment of mechanical properties. The study is based on detailed experimental analysis along with finite element simulation of the process using ABAQUS to understand the underlying physics of the process.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A comparative study of machine learning models for predicting the state of reactive mixing

Mixing phenomena are important mechanisms controlling flow, species transport, and reaction processes in fluids and porous media. Accurate predictions of reactive mixing are critical for many Earth and environmental science problems such as contaminant fate and remediation, macroalgae growth, and plankton biomass evolution. Here, to investigate the evolution of mixing dynamics under different scenarios (e.g., anisotropy, fluctuating velocity fields), a finite-element-based numerical model was built to solve the fast, irreversible bimolecular reaction-diffusion equations to simulate a range of reactive-mixing scenarios. A total of 2,315 simulations were performed using different sets of model input parameters comprising various spatial scales of vortex structures in the velocity field, time-scales associated with velocity oscillations, the perturbation parameter for the vortex-based velocity, anisotropic dispersion contrast (i.e., ratio of longitudinal-to-transverse dispersion), and molecular diffusion. The outputs comprised concentration profiles of reactants and products. The inputs to and outputs from these simulations were concatenated into feature and label matrices, respectively, to train 20 different machine learning (ML) models intended to emulate system behavior. These 20 ML emulators, based on linear methods, Bayesian methods, ensemble learning methods, and multilayer perceptrons (MLPs), were trained to classify the state of mixing and predict three quantities of interest (QoIs) characterizing species production, decay (i.e., average concentration, square of average concentration), and degree of mixing (i.e., variances of species concentration). Unsurprisingly, linear classifiers and regressors failed to reproduce the QoIs; however, ensemble methods (classifiers and regressors) and the MLP model accurately classified the state of reactive mixing and the QoIs. Among ensemble methods, random forest and decision-tree-based AdaBoost faithfully predicted the QoIs. At run time, trained ML emulators produced results times faster than the finite-element simulations. Due to their low computational expense and high accuracy, ensemble and MLP models are excellent emulators for these numerical simulations and great utilities in uncertainty quantification exercises, which can require 1,000s of forward model runs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Protein Surface Printer for Exploring Protein Domains

The surface of proteins is vital in determining protein functions. Herein, a program, Protein Surface Printer (PSP), is built that performs multiple functions in quantifying protein surface domains. Two proteins, PETase and cytochrome P450, are used to validate that the program supports atomistic simulations with different combinations of programs and force fields. A case study is conducted on the structural analysis of the spike proteins of SARS-CoV-2 and SARS-CoV and the human cell receptor ACE2. Although the surface domains of both spike proteins are highly similar, their receptor-binding domains (RBDs) and the O-linked glycan domains are structurally different. The O-linked glycan domain of SARS-CoV-2 is highly positively charged, which may promote binding to negatively charged human cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Ab initio investigation of the first hydration shell of protonated glycine

The first hydration shell of the protonated glycine is built up using Monte Carlo multiple minimum conformational search analysis with the MMFFs force field. The potential energy surfaces of the protonated glycine and its hydration complexes with up to eight water molecules have been scanned and the energy-minimized structures are predicted using the ab initio calculations. First, three favorable structures of protonated glycine were determined, and the micro-hydration processes showed that water can significantly stabilize the unstable conformers, and then their first hydration shells were established. Finally, we found that seven water molecules are required to fully hydrate the first hydration shell for the most stable conformer of protonated glycine. In order to analyse the hydration process, the dominant hydration sites located around the ammonium and carboxyl groups are studied carefully and systemically. The results indicate that, water molecules hydrate the protonated glycine in an alternative dynamic hydration process which is driven by the competition between different hydration sites. The first three water molecules are strongly attached by the ammonium group, while only the fourth water molecule is attached by the carboxyl group in the ultimate first hydration shell of the protonated glycine. In addition, the first hydration shell model has predicted most identical structures and a reasonable accord in hydration energy and vibrational frequencies of the most stable conformer with the conductor-like polarizable continuum model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Determining the crystalline degree of silicon nanoclusters/SiO{sub 2} multilayers by Raman scattering

We use Raman scattering to investigate the size distribution, built-in strains and the crystalline degree of Si-nanoclusters (Si-nc) in high-quality Si-rich oxynitride/SiO{sub 2} multilayered samples obtained by plasma enhanced chemical vapor deposition and subsequent annealing at 1150 °C. An initial structural characterization of the samples was performed by means of energy-filtered transmission electron microscopy (EFTEM) and X-ray diffraction (XRD) to obtain information about the cluster size and the presence of significant amounts of crystalline phase. The contributions to the Raman spectra from crystalline and amorphous Si were analyzed by using a phonon confinement model that includes the Si-nc size distribution, the influence of the matrix compressive stress on the clusters, and the presence of amorphous Si domains. Our lineshape analysis confirms the existence of silicon precipitates in crystalline state, in good agreement with XRD results, and provides also information about the presence of a large compressive stress over the Si-nc induced by the SiO{sub 2} matrix. By using the Raman spectra from low temperature annealed samples (i.e., before the crystallization of the Si-nc), the relative scattering cross-section between crystalline and amorphous Si was evaluated as a function of the crystalline Si size. Taking into account this parameter and the integrated intensities for each phase as extracted from the Raman spectra, we were able to evaluate the degree of crystallization of the precipitated Si-nc. Our data suggest that all samples exhibit high crystalline fractions, with values up to 89% for the biggest Si-nc. The Raman study, supported by the EFTEM characterization, indicates that this system undergoes a practically abrupt phase separation, in which the precipitated Si-nanoclusters are formed by a crystalline inner part surrounded by a thin amorphous shell of approximately 1–2 atomic layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Bias-free lateral terahertz emitters—A simulation study

The design and performance of bias-free InN-based THz emitters that exploit lateral photocurrents is studied by means of numerical simulations. We use a drift-diffusion model with adjusted carrier temperatures and mobilities. The applicability of this approach is demonstrated by a comparison with results from Monte-Carlo simulations. We consider a simple but robust lateral emitter concept using metal stripes with two different thicknesses with one of them being thin enough to be transparent for THz radiation. This arrangement can be easily multiplexed and the efficiency of this concept has already been demonstrated by experiment for GaAs substrates. In the present study, we consider InN, which is known to be an efficient photo-Dember emitter because of its superior transport properties. Our main focus is on the impact of the emitter design on the emission efficiency assuming different operation principles. Both the lateral photo-Dember (LPD) effect and built-in lateral field effects are considered. The appropriate choice of the metal stripe and window geometry as well as the impact of surface Fermi level pinning are investigated in detail, and design guidelines for efficient large area emitters using multiplexed structures are provided. We find that InN LPD emitters do not suffer from Fermi level pinning at the InN surface. The optimum emission efficiency is found for LPD emitter structures having 200 nm wide illumination windows and mask stripes. Emitter structures in which lateral electric fields are induced by the metal mask contacts can have a considerably higher efficiency than pure LPD emitters. In the best case, the THz emission of such structures is increased by one order of magnitude. Their optimum window size is 1 μm without the necessity of a partially transparent set of mask stripes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A study on the high-order mode oscillation in a four-cavity intense relativistic klystron amplifier

The high-order mode oscillation is studied in designing a four-cavity intense relativistic klystron amplifier. The reason for the oscillation caused by high-order modes and a method to suppress these kinds of spurious modes are found through theoretical analyses and the study on the influence of major parameters of a high frequency structure (such as the oscillation frequency of cavities, the cavity Q value, the length of drift tube section, and the characteristic impedance). Based on much simulation, a four-cavity intense relativistic klystron amplifier with a superior performance has been designed, built, and tested. An output power of 2.22 GW corresponding to 27.4% efficiency and 61 dB gain has been obtained. Moreover, the high-order mode oscillation is suppressed effectively, and an output power of 1.95 GW corresponding to 26% efficiency and 62 dB gain has been obtained in our laboratory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

The Spectroscopic Data Processing Pipeline for the Dark Energy Spectroscopic Instrument

Abstract We describe the spectroscopic data processing pipeline of the Dark Energy Spectroscopic Instrument (DESI), which is conducting a redshift survey of about 40 million galaxies and quasars using a purpose-built instrument on the 4 m Mayall Telescope at Kitt Peak National Observatory. The main goal of DESI is to measure with unprecedented precision the expansion history of the universe with the baryon acoustic oscillation technique and the growth rate of structure with redshift space distortions. Ten spectrographs with three cameras each disperse the light from 5000 fibers onto 30 CCDs, covering the near-UV to near-infrared (3600–9800 Å) with a spectral resolution ranging from 2000 to 5000. The DESI data pipeline generates wavelength- and flux-calibrated spectra of all the targets, along with spectroscopic classifications and redshift measurements. Fully processed data from each night are typically available to the DESI collaboration the following morning. We give details about the pipeline’s algorithms, and provide performance results on the stability of the optics, the quality of the sky background subtraction, and the precision and accuracy of the instrumental calibration. This pipeline has been used to process the DESI Survey Validation data set, and has exceeded the project’s requirements for redshift performance, with high efficiency and a purity greater than 99% for all target classes.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1975

Berkeley heterodyne interferometer

A prototype heterodyne stellar interferometer has been built in order to demonstrate the feasibility of heterodyne techniques in measuring angular diameters of bright infrared stars. The first system tests were performed in December 1972. Attention is given to investigations concerning the possibility that optical air turbulence within the structure of the solar telescope employed can possibly destroy the phase coherence of the fringe signals.

Betz, A.↗
NASA NTRS1987

Proposed upgrade of the Deep Space Network research and development station

Continued exploration of the solar system will require continued evolution of capabilities to support deep space communication and navigation. That evolution will rely, as it has in the past, on the development, demonstration, and field testing of communication and navigation technologies. The existing Deep Space Network (DSN) research and development station, DSS 13, at the Venus site, Goldstone, California was instrumental in those prior developments. However, the present antenna is no longer able to provide the necessary support for technology. The 26 meter antenna has good performance at S-band, fair performance at X-band, but is unusable at the anticipated Ka-band. It is not suitable for conversion to beam waveguides, and is not usable as a test bed for demonstrating high efficiency because of structural pliancy. Additionally, its size and age are increasingly a liability in demonstrations. A 34 meter beam waveguide version of the existing DSN high efficiency (HEF) antennas was proposed for FY-88 Construction of Facilities budget. The antenna is to be built at the Venus site, adjacent to the old antenna, and serve as the DSN research and development antenna through the end of the century.

Smith, Joel G.↗
NASA NTRS1989

Enhanced modeling features within TREETOPS

The original motivation for TREETOPS was to build a generic multi-body simulation and remove the burden of writing multi-body equations from the engineers. The motivation of the enhancement was twofold: (1) to extend the menu of built-in features (sensors, actuators, constraints, etc.) that did not require user code; and (2) to extend the control system design capabilities by linking with other government funded software (NASTRAN and MATLAB). These enhancements also serve to bridge the gap between structures and control groups. It is common on large space programs for the structures groups to build hi-fidelity models of the structure using NASTRAN and for the controls group to build lower order models because they lack the tools to incorporate the former into their analysis. Now the controls engineers can accept the hi-fidelity NASTRAN models into TREETOPS, add sensors and actuators, perform model reduction and couple the result directly into MATLAB to perform their design. The controller can then be imported directly into TREETOPS for non-linear, time-history simulation.

Vandervoort, R. J.↗
NASA NTRS1989

Design and control of a multi-fingered robot hand provided with tactile feedback

The design, construction, control and application of a three fingered robot hand with nine degrees of freedom and built-in multi-component force sensors is described. The adopted gripper kinematics are justified and optimized with respect to grasping and manipulation flexibility. The hand was constructed with miniature motor drive systems imbedded into the fingers. The control is hierarchically structured and is implemented on a simple PC-AT computer. The hand's dexterity and intelligence are demonstrated with some experiments.

Vanbrussel, H.↗
NASA NTRS1993

A SIMULINK environment for flight dynamics and control analysis: Application to the DHC-2 Beaver. Part 1: Implementation of a model library in SIMULINK. Part 2: Nonlinear analysis of the Beaver autopilot

The design of advanced Automatic Aircraft Control Systems (AACS's) can be improved upon considerably if the designer can access all models and tools required for control system design and analysis through a graphical user-interface, from within one software environment. This MSc-thesis presents the first step in the development of such an environment, which is currently being done at the Section for Stability and Control of Delft University of Technology, Faculty of Aerospace Engineering. The environment is implemented within the commercially available software package MATLAB/SIMULINK. The report consists of two parts. Part I gives a detailed description of the AACS design environment. The heart of this environment is formed by the SIMULINK implementation of a nonlinear aircraft model in block-diagram format. The model has been worked out for the old laboratory aircraft of the Faculty, the De Havilland DHC-2 'Beaver', but due to its modular structure, it can easily be adapted for other aircraft. Part I also describes MATLAB programs which can be applied for finding steady-state trimmed-flight conditions and for linearization of the aircraft model, and it shows how the built-in simulation routines of SIMULINK have been used for open-loop analysis of the aircraft dynamics. Apart from the implementation of the models and tools, a thorough treatment of the theoretical backgrounds is presented. Part II of this report presents a part of an autopilot design process for the 'Beaver' aircraft, which clearly demonstrates the power and flexibility of the AACS design environment from part I. Evaluations of all longitudinal and lateral control laws by means of nonlinear simulations are treated in detail. The AACS design environment from part I proved to be a very useful tool for designing the control laws of the 'Beaver' autopilot within a very tight time-schedule. The autopilot design process itself will be used as a guideline for future AACS research at the Faculty of Aerospace Engineering. Flight tests of the 'Beaver' autopilot, done after evaluating the control laws in the SIMULINK package, proved to be quite successful. In the future, the AACS design package will evolve into a standardized, integrated design environment which can be applied to virtually any type of aircraft. The AACS design cycle will be shortened further by developing tools for automatically porting control laws from the MATLAB/SIMULINK environment to a piloted real-time flight simulator and the Flight Control Computers of the aircraft.

Flight Control System Design↗
NASA NTRS2000

Flow Duct Data for Validation of Acoustic Liner Codes for Impedance Eduction

The objective of the study reported here was to acquire acoustic and flow data with hard and lined duct wall duct sections for validation of a liner prediction code being developed at NASA LaRC. Both the mean flowfield and acoustic flowfields were determined in a cross-plane of the rectangular duct. A flow duct facility with acoustic drivers connected to a rectangular (4.7 x 2.0 inch) source section and a linear acoustic liner mounted downstream of the source section was used in this study. The liner section was designed to allow liner materials to be placed on all 4 walls of the duct. The test liner was of the locally-reacting type and was made from a ceramic material. The material, consisting of a tubular structure, was provided by NASA LaRC. The liner was approximately 8.89 cm (3.5 inches) thick. For the current study, only the two "short" sides of the duct were lined with liner material. The other two sides were hard walls. Two especially built instrumentation sections were attached on either sides of the liner section to allow acoustic and flow measurements to be made upstream and downstream of the liner. The two instrumentation duct sections were built to allow measurement of acoustic and flow properties at planes perpendicular to flow upstream and downstream of the liner section. The instrumentation section was also designed to provide a streamwise gradient in acoustic (complex) pressure from which the acoustic particle velocity, needed for the model validation, can be computed. Flow measurements included pressure, temperature, and velocity profiles upstream of the liner section. The in-flow sound pressure levels and phases were obtained with a microphone probe equipped with a nose cone in two cross planes upstream of the liner and two cross plane downstream of the liner. In addition to the acoustic measurements at the cross planes. axial centerline acoustic data was acquired using an axially traversing microphone probe which was traversed from a location upstream of the liner to some distance downstream of the liner. All probes used here had to be calibrated with respect to a standard microphone equipped with a nose cone to allow for the effects of flow.

Ahuja, K. K.↗
DOE OSTI2016

Synthesis, crystal structure, and optical property of the quaternary chalcohalide Ba{sub 4}Sb{sub 3}S{sub 8}Cl

The quaternary chalcohalide Ba{sub 4}Sb{sub 3}S{sub 8}Cl has been prepared from stoichiometric mixtures of BaCl{sub 2}, Ba, Sb, and S at 1093 K in an evacuated silica tube. Ba{sub 4}Sb{sub 3}S{sub 8}Cl crystallizes in the monoclinic P2{sub 1}/c space group and features a 0D structure containing totally isolated [SbS{sub 3}]{sup 3−} units and discrete SbS{sub 2}Cl trigonal pyramids separated by Ba{sup 2+} cations. The [SbS{sub 3}]{sup 3−} units and SbS{sub 2}Cl trigonal pyramids are further packed in a pseudolayer motif in bc plane, respectively. The [SbS{sub 3}]{sup 3−} units are built by dimeric Sb{sub 2}S{sub 6} polyhedras and SbS{sub 3} trigonal pyramids. Within the dimeric Sb{sub 2}S{sub 6} polyhedra, two SbS{sub 4} seesaws share edges, while two SbS{sub 3} trigonal pyramids share corners with dimeric Sb{sub 2}S{sub 6} polyhedra. The optical gap of 2.09 eV for Ba{sub 4}Sb{sub 3}S{sub 8}Cl was deduced from the UV/Vis reflectance spectroscopy. - Graphical abstract: The quaternary chalcohalide Ba{sub 4}Sb{sub 3}S{sub 8}Cl has been prepared, which contains totally isolated [SbS{sub 3}]{sup 3−} units and discrete SbS{sub 2}Cl trigonal pyramids with Ba{sup 2+} cations located between them. - Highlights: • The quaternary chalcohalide Ba{sub 4}Sb{sub 3}S{sub 8}Cl has been prepared by solid-state reaction. • This material crystallizes in a new structure type with totally isolated [SbS{sub 3}]{sup 3−} units and discrete SbS{sub 2}Cl trigonal pyramids separated by Ba{sup 2+} cations. • The optical gap of 2.09 eV for Ba{sub 4}Sb{sub 3}S{sub 8}Cl was deduced from UV/Vis reflectance spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Burden Versus Capability Statistical Analysis for Structural Probabilistic Risk Assessments

The purpose of the burden versus capability analysis is to analyze the ability of components to withstand the loads that they are subjected to. When designing a launch vehicle, there is always a trade-off for the strength of the components versus the weight of the vehicle. The vehicle needs to have some margin built in to the design, but this added margin should not add a significant amount of weight to the vehicle. When the material properties and limits are known, estimated loads can be used to ensure that the vehicle will survive launch loads. If the variation in the distributions can be quantified, the probability of failure can be estimated more accurately.

Green, Becky↗