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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 865 records · Page 48

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NASA NTRS2003

Piezoelectric Actuator Modeling Using MSC/NASTRAN and MATLAB

This paper presents a procedure for modeling structures containing piezoelectric actuators using MSCMASTRAN and MATLAB. The paper describes the utility and functionality of one set of validated modeling tools. The tools described herein use MSCMASTRAN to model the structure with piezoelectric actuators and a thermally induced strain to model straining of the actuators due to an applied voltage field. MATLAB scripts are used to assemble the dynamic equations and to generate frequency response functions. The application of these tools is discussed using a cantilever aluminum beam with a surface mounted piezoelectric actuator as a sample problem. Software in the form of MSCINASTRAN DMAP input commands, MATLAB scripts, and a step-by-step procedure to solve the example problem are provided. Analysis results are generated in terms of frequency response functions from deflection and strain data as a function of input voltage to the actuator.

Reaves, Mercedes C.↗

NASA NTRS1993

Spectral variations in a collection of AVIRIS imagery

The advent of AVIRIS presents to the scientific community the first opportunity to examine high quality hyperspectral data over areas of interest, while recent developments promise even better data in the future. With these data we may address questions such as: (1) Is such high spectral resolution (0.01 micron) necessary?; and (2) How can we take advantage of the AVIRIS experience in specifying an improved future Landsat satellite? In this paper we describe the use of relatively broadband measurements (20-50 nm) to represent spectral variability. The problem of generality is addressed through consideration of 28 AVIRIS scenes, although analysis of additional areas is clearly desirable. Section 2 defines the expansion of spectra in terms of basis functions, section 3 describes the application to AVIRIS data, and the conclusion, section 4, relates these preliminary results to possible future remote sensing instrumentation such as the planned Landsat 8.

Price, John C.↗

DOE OSTI2022

A Decision-Making Machine Learning Approach in Hermite Spectral Approximations of Partial Differential Equations

The accuracy and effectiveness of Hermite spectral methods for the numerical discretization of partial differential equations on unbounded domains are strongly affected by the amplitude of the Gaussian weight function employed to describe the approximation space. This is particularly true if the problem is under-resolved, i.e., there are no enough degrees of freedom. The issue becomes even more crucial when the equation under study is time-dependent, forcing in this way the choice of Hermite functions where the corresponding weight depends on time. In order to adapt dynamically the approximation space, it is here proposed an automatic decision-making process that relies on machine learning techniques, such as deep neural networks and support vector machines. The algorithm is numerically tested with success on a simple 1D problem, but the main goal is its exportability in the context of more serious applications. Here we also show at the end an application in the framework of plasma physics.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1981

Effects of photometric geometry on spectral reflectance measurements

Progress is reported in obtaining valuable results needed for the full interpretation of the spectral reflectance curves of solar system objects. The degree to which photometric geometry affects spectral reflectance curves was demonstrated. Various forms of photometric functions were compared and a function adequate for describing the scattering properties of low and moderately reflecting materials was developed and applied in a study of the phase coefficients of various materials, as well as in a study of how the shape of a body affects the spectral reflectance properties. The adequacy of the photometric function for Mars-like analogs was studied. The goniometer system is being converted to a computer driven mode. As soon as computer controls are integrated in the goniometer, the phase dependence 0.95 micron feature in meteorite spectra is scheduled to begin.

Veverka, J.↗

NASA NTRS1984

Reflectance Modeling

A classical description of the one dimensional radiative transfer treatment of vegetation canopies was completed and the results were tested against measured prairie (blue grama) and agricultural canopies (soybean). Phase functions are calculated in terms of directly measurable biophysical characteristics of the canopy medium. While the phase functions tend to exhibit backscattering anisotropy, their exact behavior is somewhat more complex and wavelength dependent. A Monte Carlo model was developed that treats soil surfaces with large periodic variations in three dimensions. A photon-ray tracing technology is used. Currently, the rough soil surface is described by analytic functions and appropriate geometric calculations performed. A bidirectional reflectance distribution function is calculated and, hence, available for other atmospheric or canopy reflectance models as a lower boundary condition. This technique is used together with an adding model to calculate several cases where Lambertian leaves possessing anisotropic leaf angle distributions yield non-Lambertian reflectance; similar behavior is exhibited for simulated soil surfaces.

Smith, J. A.↗

DOE OSTI2023

Stability and Fidelity of Power-Hardware-in-the-Loop Using NREL's CGI

The presentation focuses on dynamic analysis of power hardware-in-the-loop (PHIL) experiments using National Renewable Energy Laboratory Flatirons Campus' grid simulator - 7MVA Controllable Grid Interface (CGI). A control diagram of typical PHIL experiment is described, and transfer functions of critical components are explained. An impedance-based definition of PHIL experiment bandwidth is defined using open loop transfer functions of the system. Further an example resistive divider circuit is introduced that is used to explain implication of PHIL on accuracy of simulation by comparing measured results against ideal expected signals. At the end the real-life PHIL simulation using Maui power system model is described showing various oscillation modes observed and discussing the meaning of these in context of dynamic bandwidth of simulation.

grid simulator↗

NASA NTRS2013

A Tool for the Automated Design and Evaluation of Habitat Interior Layouts

The objective of space habitat design is to minimize mass and system size while providing adequate space for all necessary equipment and a functional layout that supports crew health and productivity. Unfortunately, development and evaluation of interior layouts is often ignored during conceptual design because of the subjectivity and long times required using current evaluation methods (e.g., human-in-the-loop mockup tests and in-depth CAD evaluations). Early, more objective assessment could prevent expensive design changes that may increase vehicle mass and compromise functionality. This paper describes a new interior design evaluation method to enable early, structured consideration of habitat interior layouts. This interior layout evaluation method features a comprehensive list of quantifiable habitat layout evaluation criteria, automatic methods to measure these criteria from a geometry model, and application of systems engineering tools and numerical methods to construct a multi-objective value function measuring the overall habitat layout performance. In addition to a detailed description of this method, a C++/OpenGL software tool which has been developed to implement this method is also discussed. This tool leverages geometry modeling coupled with collision detection techniques to identify favorable layouts subject to multiple constraints and objectives (e.g., minimize mass, maximize contiguous habitable volume, maximize task performance, and minimize crew safety risks). Finally, a few habitat layout evaluation examples are described to demonstrate the effectiveness of this method and tool to influence habitat design.

Simon, Matthew A.↗

DOE OSTI2024

Hybrid Quantum Mechanical, Molecular Mechanical, and Machine Learning Potential for Computing Aqueous-Phase Adsorption Free Energies on Metal Surfaces

Performing reliable computer simulations of elementary processes occurring at metal–water interfaces is pivotal for novel catalyst design in sustainable energy applications. Computational catalyst design hinges on the ability to reliably and efficiently compute the potential energy surface (PES) of the system. Here, due to the large system sizes needed for studying processes at liquid water–metal interfaces, these systems can currently not be described using density functional theory (DFT). In this work, we used a hybrid quantum mechanical, molecular mechanical, and machine learning potential for studying the adsorption behavior of phenol, atomic hydrogen, 2-butanol, and 2-butanone on the (0001) facet of Ru under reducing conditions when Ru is not oxidized. Specifically, we describe the adsorbate and the surrounding metal atoms at the DFT level of theory. Here, we also considered the electrostatic field effect of the water molecules on adsorbate–metal interactions. Next, for the water–water and water–adsorbate interactions, we used established classical force fields. Finally, for the water–Ru surface interaction, for which no reliable force fields have been published, we used Behler–Parrinello high-dimensional neural network potentials (HDNNPs). Employing this setup, we used our explicit solvation for metal surface (eSMS) approach to compute the aqueous-phase effect on the low-coverage adsorption of selected molecules and atoms on the (0001) facet of Ru. In agreement with previous experimental and computational studies of oxygenated molecules over transition metal facets, we found that liquid water destabilizes the tested adsorbates on Ru(0001). Interestingly, our findings indicate that adsorbates on Ru are less affected by the presence of an aqueous phase than on other transition metals (e.g., Pt), highlighting the necessity of experimental investigations of Ru-based catalytic systems in liquid water.

Adsorption↗

NASA NTRS1974

Role of man in flight experiment payloads, phase 1

The identification of required data for studies of Spacelab experiment functional allocation, the development of an approach to collecting these data from the payload community, and the specification of analytical methods necessary to quantitatively determine the role of man in specific Spacelab experiments are presented. A generalized Spacelab experiment operation sequence was developed, and the parameters necessary to describe each signle function in the sequence were identified. A set of functional descriptor worksheets were also drawn up. The methodological approach to defining the role of man was defined as a series of trade studies using a digial simulation technique. The tradeoff variables identified include scientific crew size, skill mix, and location. An existing digital simulation program suitable for the required analyses was identified and obtained.

Malone, T. B.↗

DOE OSTI2018

Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts

Single-atom catalysts have recently emerged as promising low-cost alternatives to Pt for the oxygen reduction reaction (ORR). Given the unique properties that distinguish these systems from traditional transition-metal electrocatalysts, it is essential to benchmark and establish appropriate computational approaches to study these novel materials. Herein, we employ multiple levels of theory, including wave function methods, density functional theory (DFT), and classical simulations, to investigate Cu-modified covalent triazine framework catalysts (Cu/CTF). We consider three major aspects of treating this system computationally. First, we present a step-wise approach to predict the ORR mechanism and adsorbate coverages on Cu/CTF. We then benchmark various DFT methods to coupled-cluster theory with the domain-based local pair natural orbital approximation, which indicates that HSE06 and PBE0 hybrid functionals most accurately describe the adsorption energies of ORR adsorbates on Cu/CTF. We finally employ thermodynamic integration and other techniques to consider solvation effects, which play significant roles in predicting the energies of reaction intermediates and the overall ORR pathway. Lastly, our findings indicate that accurate descriptions of both the electronic structure and solvation are necessary to understand the ORR activity of Cu/CTF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Electronic fitness function for screening semiconductors as thermoelectric materials

Here, we introduce a simple but efficient electronic fitness function (EFF) that describes the electronic aspect of the thermoelectric performance. This EFF finds materials that overcome the inverse relationship between σ and S based on the complexity of the electronic structures regardless of specific origin (e.g., isosurface corrugation, valley degeneracy, heavy-light bands mixture, valley anisotropy or reduced dimensionality). This function is well suited for application in high throughput screening. We applied this function to 75 different thermoelectric and potential thermoelectric materials including full- and half-Heuslers, binary semiconductors, and Zintl phases. We find an efficient screening using this transport function. The EFF identifies known high-performance p- and n-type Zintl phases and half-Heuslers. In addition, we find some previously unstudied phases with superior EFF.

36 MATERIALS SCIENCE↗

NASA NTRS2014

Functional Analysis for an Integrated Capability of Arrival/Departure/Surface Management with Tactical Runway Management

The runway is a critical resource of any air transport system. It is used for arrivals, departures, and for taxiing aircraft and is universally acknowledged as a constraining factor to capacity for both surface and airspace operations. It follows that investigation of the effective use of runways, both in terms of selection and assignment as well as the timing and sequencing of the traffic is paramount to the efficient traffic flows. Both the German Aerospace Center (DLR) and NASA have developed concepts and tools to improve atomic aspects of coordinated arrival/departure/surface management operations and runway configuration management. In December 2012, NASA entered into a Collaborative Agreement with DLR. Four collaborative work areas were identified, one of which is called "Runway Management." As part of collaborative research in the "Runway Management" area, which is conducted with the DLR Institute of Flight Guidance, located in Braunschweig, the goal is to develop an integrated system comprised of the three DLR tools - arrival, departure, and surface management (collectively referred to as A/D/S-MAN) - and NASA's tactical runway configuration management (TRCM) tool. To achieve this goal, it is critical to prepare a concept of operations (ConOps) detailing how the NASA runway management and DLR arrival, departure, and surface management tools will function together to the benefit of each. To assist with the preparation of the ConOps, the integrated NASA and DLR tools are assessed through a functional analysis method described in this report. The report first provides the highlevel operational environments for air traffic management (ATM) in Germany and in the U.S., and the descriptions of the DLR's A/D/S-MAN and NASA's TRCM tools at the level of details necessary to compliment the purpose of the study. Functional analyses of each tool and a completed functional analysis of an integrated system design are presented next in the report. Future efforts to fully develop the ConOps will include: developing scenarios to fully test environmental, procedural, and data availability assumptions; executing the analysis by a walk-through of the integrated system using these scenarios; defining the appropriate role of operators in terms of their monitoring requirements and decision authority; executing the analysis by a walk-through of the integrated system with operator involvement; characterizing the environmental, system data requirements, and operator role assumptions for the ConOps.

Phojanamongkolkij, Nipa↗

NASA NTRS1984

Spectrum orbit utilization program technical manual SOUP5 Version 3.8

The underlying engineering and mathematical models as well as the computational methods used by the SOUP5 analysis programs, which are part of the R2BCSAT-83 Broadcast Satellite Computational System, are described. Included are the algorithms used to calculate the technical parameters and references to the relevant technical literature. The system provides the following capabilities: requirements file maintenance, data base maintenance, elliptical satellite beam fitting to service areas, plan synthesis from specified requirements, plan analysis, and report generation/query. Each of these functions are briefly described.

Davidson, J.↗

NASA NTRS1994

A Space and Atmospheric Visualization Science System

SAVS (a Space and Atmospheric Visualization Science system) is an integrated system with user-friendly functionality that employs a 'push-button' software environment that mimics the logical scientific processes in data acquisition, reduction, analysis, and visualization. All of this is accomplished without requiring a detailed understanding of the methods, networks, and modules that link the tools and effectively execute the functions. This report describes SAVS and its components, followed by several applications based on generic research interests in interplanetary and magnetospheric physics (IMP/ISTP), active experiments in space (CRRES), and mission planning focused on the earth's thermospheric, ionospheric, and mesospheric domains (TIMED). The final chapters provide a user-oriented description of interface functionalities, hands-on operations, and customized modules, with details of the primary modules presented in the appendices. The overall intent of the report is to reflect the accomplishments of the three-year development effort and to introduce potential users to the power and utility of the integrated data acquisition, analysis, and visualization system.

Szuszczewicz, E. P.↗

NASA NTRS1992

Spaceflight alters immune cell function and distribution

Experiments are described which were performed onboard Cosmos 2044 to determine spaceflight effects on immunologically important cell function and distribution. Results indicate that bone marrow cells from flown and suspended rats exhibited a decreased response to a granulocyte/monocyte colony-stimulating factor compared with the bone marrow cells from control rats. Bone marrow cells showed an increase in the percentage of cells expressing markers for helper T-cells in the myelogenous population and increased percentages of anti-asialo granulocyte/monocyte-1-bearing interleulin-2 receptor bearing pan T- and helper T-cells in the lymphocytic population.

Sonnenfeld, Gerald↗

NASA NTRS2004

InvestigationOrganizer: The Development and Testing of a Web-based Tool to Support Mishap Investigations

InvestigationOrganizer (IO) is a collaborative web-based system designed to support the conduct of mishap investigations. IO provides a common repository for a wide range of mishap related information, and allows investigators to make explicit, shared, and meaningful links between evidence, causal models, findings and recommendations. It integrates the functionality of a database, a common document repository, a semantic knowledge network, a rule-based inference engine, and causal modeling and visualization. Thus far, IO has been used to support four mishap investigations within NASA, ranging from a small property damage case to the loss of the Space Shuttle Columbia. This paper describes how the functionality of IO supports mishap investigations and the lessons learned from the experience of supporting two of the NASA mishap investigations: the Columbia Accident Investigation and the CONTOUR Loss Investigation.

Carvalho, Robert F.↗

DOE OSTI2022

Distribution Function Instead of Steady-State Assumption in Time-Series Simulation

The quasi-steady-state assumption in time-series simulation is inadequate to model phenomena of interest to energy system integration such as inverter clipping, sell-back of excess electricity to a utility and utility hosting capacity, and battery throughput. Researchers are working on stochastic modeling, higher-resolution time series data, and machine learning approaches to address this need. This poster describes a distribution function that allows a maximum value, minimum value, and shape to the curve that can vary within each time-step based only on data inputs at the resolution of that time step (eg. Hourly). The distribution function is not used to synthesize high-resolution data, rather scalar integrals are used to calculate the quantities of interest within each time step. The form of the distribution function shows significant reduction in error when compared to 1 minute data and commercial software employing the distribution function (HOMER Pro version 14.3 and higher) shows a much improved estimate of inverter clipping in an example.

battery↗

DOE OSTI2022

Cumulant methods for electron-phonon problems. I. Perturbative expansions

Here in this work, we investigate the ability of the cumulant expansion (CE) to capture one-particle spectral information in electron-phonon coupled systems at both zero and finite temperatures. In particular, we present a comprehensive study of the second- and fourth-order CEs for the one-dimensional Holstein model as compared with numerically exact methods. We investigate both finite sized systems as well as the approach to the thermodynamic limit, drawing distinctions, and connections between the behavior of systems in and away from the thermodynamic limit that enable a greater understanding of the ability of the CE to capture real-frequency information across the full range of wave vectors. We find that for zero electronic momentum, the spectral function is well described by the second-order CE at low and high temperatures. However, for nonzero electronic momenta, the CE is only accurate at high temperature. We analyze the fourth-order cumulant and find that while it improves the description of the short-time dynamics encoded in the one-particle Green's function, it can introduce divergences in the time domain as well as unphysical negative spectral weight in the spectral function. When well-behaved, the fourth-order CE does provide notable accurate corrections to the second-order CE. Finally, we use our results to comment on the use of the CE as a tool for calculating transport behavior in the realistic ab initio modeling of materials.

36 MATERIALS SCIENCE↗