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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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NASA NTRS1975

Study of passenger subjective response to ideal and real-vehicle vibration environments

The stimulus received by subjects tested on the passenger ride quality apparatus (PRQA) is defined. Additional analyses on the data collected from field tests using buses, were conducted to assess the relation between subjective ratings of ride quality and vibrations measured on the buses, and to better define the vibration stimulus measured in the field. The relation of subjective evaluation of simulations of bus rides produced by the DRQA to subjective evaluations of the actual bus rides is discussed. The relative contribution of the seat and floor vibration to human comfort in a simulated aircraft ride environment is discussed along with the determination of equal comfort curves through magnitude estimation.

Kirby, R. H.↗

NASA NTRS1986

Advanced composites for large Navy spacecraft

An overview is given of work conducted on contract for the Naval Sea Systems Command. The objective of this contract was to provide direction for the development of high modulus graphite reinforced metal matrix composites. These advanced materials can have a significant effect on the performance of a spacecraft before, during and after an evasive maneuver. The work conducted on this program was organized into seven technical tasks. Task 1 was development of a generic Navy spacecraft model. Finite element models of candidate structural designs were developed. In Task 2, the finite-element model(s) of the structure were used to conduct analytical assessments involving conventional materials, resin matrix composites and metal matrix composites (MMC). In Task 3 and 4, MMC material design, fabrication and evaluation was conducted. This consisted of generating material designs and developing a data base for a broad range of graphite reinforced MMC materials. All material was procured according to specifications which set material quality and material property standards. In Task 5, a set of evasive maneuvering requirements were derived and used in Task 6 to conduct analytical simulations. These analytical simulations used current SOA material properties and projected material properties to provide an indication of key payoffs for material development. In Task 7, a set of material development recommendations was generated.

Davis, William E.↗

NASA NTRS1991

Automated flight test management system

The Phase 1 development of an automated flight test management system (ATMS) as a component of a rapid prototyping flight research facility for artificial intelligence (AI) based flight concepts is discussed. The ATMS provides a flight engineer with a set of tools that assist in flight test planning, monitoring, and simulation. The system is also capable of controlling an aircraft during flight test by performing closed loop guidance functions, range management, and maneuver-quality monitoring. The ATMS is being used as a prototypical system to develop a flight research facility for AI based flight systems concepts at NASA Ames Dryden.

Hewett, M. D.↗

NASA NTRS1993

Handover aspects for a Low Earth Orbit (LEO) CDMA Land Mobile Satellite (LMS) system

This paper addresses the problem of handoff in a land mobile satellite (LMS) system between adjacent satellites in a low earth orbit (LEO) constellation. In particular, emphasis is placed on the application of soft handoff in a direct sequence code division multiple access (DS-CDMA) LMS system. Soft handoff is explained in terms of terrestrial macroscopic diversity, in which signals transmitted via several independent fading paths are combined to enhance the link quality. This concept is then reconsidered in the context of a LEO LMS system. A two-state Markov channel model is used to simulate the effects of shadowing on the communications path from the mobile to each satellite during handoff. The results of the channel simulation form a platform for discussion regarding soft handoff, highlighting the potential merits of the scheme when applied in a LEO LMS environment.

Carter, P.↗

NASA NTRS1995

Newton-Krylov-Schwarz: An implicit solver for CFD

Newton-Krylov methods and Krylov-Schwarz (domain decomposition) methods have begun to become established in computational fluid dynamics (CFD) over the past decade. The former employ a Krylov method inside of Newton's method in a Jacobian-free manner, through directional differencing. The latter employ an overlapping Schwarz domain decomposition to derive a preconditioner for the Krylov accelerator that relies primarily on local information, for data-parallel concurrency. They may be composed as Newton-Krylov-Schwarz (NKS) methods, which seem particularly well suited for solving nonlinear elliptic systems in high-latency, distributed-memory environments. We give a brief description of this family of algorithms, with an emphasis on domain decomposition iterative aspects. We then describe numerical simulations with Newton-Krylov-Schwarz methods on aerodynamics applications emphasizing comparisons with a standard defect-correction approach, subdomain preconditioner consistency, subdomain preconditioner quality, and the effect of a coarse grid.

Cai, Xiao-Chuan↗

NASA NTRS2004

Application of the GRC Stirling Convertor System Dynamic Model

The GRC Stirling Convertor System Dynamic Model (SDM) has been developed to simulate dynamic performance of power systems incorporating free-piston Stirling convertors. This paper discusses its use in evaluating system dynamics and other systems concerns. Detailed examples are provided showing the use of the model in evaluation of off-nominal operating conditions. The many degrees of freedom in both the mechanical and electrical domains inherent in the Stirling convertor and the nonlinear dynamics make simulation an attractive analysis tool in conjunction with classical analysis. Application of SDM in studying the relationship of the size of the resonant circuit quality factor (commonly referred to as Q) in the various resonant mechanical and electrical sub-systems is discussed.

Regan, Timothy F.↗

NASA NTRS2002

Molecular modeling of interactions in electronic nose sensors for environmental monitoring

We report a study aimed at understanding analyte interactions with sensors made from polymer-carbon black composite films. The sensors are used in an Electronic Nose (ENose) which is used for monitoring the breathing air quality in human habitats. The model mimics the experimental conditions of the composite film deposition and formation and was developed using molecular modeling and simulation tools. The Dreiding 2.21 Force Field was used for the polymer and analyte molecules while graphite parameters were assigned to the carbon black atoms. The polymer considered for this work is methyl vinyl ether / maleic acid copolymer. The target analytes include both inorganic (NH3) and organic (methanol) types of compound. Results indicate different composite-analyte interaction behavior.

electronic noise polymer-carbon composite molecula↗

NASA NTRS2012

Precipitation Response to Regional Radiative Forcing

Precipitation shifts can have large impacts on human society and ecosystems. Many aspects of how inhomogeneous radiative forcings influence precipitation remain unclear, however. Here we investigate regional precipitation responses to various forcings imposed in different latitude bands in a climate model. We find that several regions show strong, significant responses to most forcings, but that the magnitude and even the sign depends upon the forcing location and type. Aerosol and ozone forcings typically induce larger responses than equivalent carbon dioxide (CO2) forcing, and the influence of remote forcings often outweighs that of local forcings. Consistent with this, ozone and especially aerosols contribute greatly to precipitation changes over the Sahel and South and East Asia in historical simulations, and inclusion of aerosols greatly increases the agreement with observed trends in these areas, which cannot be attributed to either greenhouse gases or natural forcings. Estimates of precipitation responses derived from multiplying our Regional Precipitation Potentials (RPP; the response per unit forcing relationships) by historical forcings typically capture the actual response in full transient climate simulations fairly well, suggesting that these relationships may provide useful metrics. The strong sensitivity to aerosol and ozone forcing suggests that although some air quality improvements may unmask greenhouse gas-induced warming, they have large benefits for reducing regional disruption of the hydrologic cycle.

Shindell, D. T.↗

NASA NTRS2017

Glyoxal Yield from Isoprene Oxidation and Relation to Formaldehyde: Chemical Mechanism, Constraints from SENEX Aircraft Observations, and Interpretation of OMI Satellite Data

Glyoxal (CHOCHO) is produced in the atmosphere by the oxidation of volatile organic compounds(VOCs). Like formaldehyde (HCHO), another VOC oxidation product, it is measurable from space by solar backscatter. Isoprene emitted by vegetation is the dominant source of CHOCHO and HCHO in most of the world. We use aircraft observations of CHOCHO and HCHO from the Southeast Nexus (SENEX) campaign over the southeast US in summer 2013 to better understand the CHOCHO time-dependent yield from isoprene oxidation, its dependence on nitrogen oxides (NO (sub x) triple bonded to NO plus NO2), the behavior of the CHOCHO-HCHO relationship, the quality of Ozone Monitoring Instrument (OMI) CHOCHO satellite observations, and the implications for using CHOCHO observations from space as constraints on isoprene emissions. We simulate the SENEX and OMI observations with the Goddard Earth Observing System chemical transport model (GEOSChem) featuring a new chemical mechanism for CHOCHO formation from isoprene. The mechanism includes prompt CHOCHO formation under low-NO (sub x) conditions following the isomerization of the isoprene peroxy radical (ISOPO2).The SENEX observations provide support for this prompt CHOCHO formation pathway, and are generally consistent with the GEOS-Chem mechanism. Boundary layer CHOCHO and HCHO are strongly correlated in the observations and the model, with some departure under low-NO (sub x) conditions due to prompt CHOCHO formation. SENEX vertical profiles indicate a free-tropospheric CHOCHO background that is absent from the model. The OMI CHOCHO data provide some support for this free-tropospheric background and show southeast US enhancements consistent with the isoprene source but a factor of 2 too low. Part of this OMI bias is due to excessive surface reflectivities assumed in the retrieval. The OMI CHOCHO and HCHO seasonal data over the southeast US are tightly correlated and provide redundant proxies of isoprene emissions. Higher temporal resolution in future geostationary satellite observations may enable detection of the prompt CHOCHO production under low-NO (sub x) conditions apparent in the SENEX data.

OMI↗

DOE OSTI2022

Systems, methods and computer program products for collaborative agent control

Systems, methods and unmanned agents for collaboratively controlling agents in a collaborative network by one or more agents continuously simulating numeric models of one or more other agents in the network to dramatically reduce the computational bandwidth required between agents, and improve the quality of shared estimates of the agent locations as well as the locations and characteristics of other objects of interest, e.g. targets. Bandwidth is reduced by using the models to intelligently filter data before communicating.

Buerger, Stephen↗

NASA NTRSDate not supplied

Rapid Hypersonic Simulations using US3D and Pointwise

For hypersonic simulations, unstructured flow solvers typically have problems predicting surface heat fluxes when strong shocks are present. To address these issues, this paper outlines a workflow that applies best practices developed for structured grids to unstructured meshes. In addition, unstructured grid generation can significantly reduce the time required to create quality grids for complex geometries. Several examples are computed using DPLR, a structured grid flow solver, and US3D flow, an unstructured mesh solver. Results from the two codes are compared, and they show excellent agreement. Overall, the unstructured grid workflow offers a viable and attractive alternative for hypersonic simulations.

C. Tang↗

NASA NTRSDate not supplied

Rapid Hypersonic Simulations using US3D and Pointwise

Chun Tang↗

NASA NTRS2012

Progress Toward Affordable High Fidelity Combustion Simulations Using Filtered Density Functions for Hypersonic Flows in Complex Geometries

Significant progress has been made in the development of subgrid scale (SGS) closures based on a filtered density function (FDF) for large eddy simulations (LES) of turbulent reacting flows. The FDF is the counterpart of the probability density function (PDF) method, which has proven effective in Reynolds averaged simulations (RAS). However, while systematic progress is being made advancing the FDF models for relatively simple flows and lab-scale flames, the application of these methods in complex geometries and high speed, wall-bounded flows with shocks remains a challenge. The key difficulties are the significant computational cost associated with solving the FDF transport equation and numerically stiff finite rate chemistry. For LES/FDF methods to make a more significant impact in practical applications a pragmatic approach must be taken that significantly reduces the computational cost while maintaining high modeling fidelity. An example of one such ongoing effort is at the NASA Langley Research Center, where the first generation FDF models, namely the scalar filtered mass density function (SFMDF) are being implemented into VULCAN, a production-quality RAS and LES solver widely used for design of high speed propulsion flowpaths. This effort leverages internal and external collaborations to reduce the overall computational cost of high fidelity simulations in VULCAN by: implementing high order methods that allow reduction in the total number of computational cells without loss in accuracy; implementing first generation of high fidelity scalar PDF/FDF models applicable to high-speed compressible flows; coupling RAS/PDF and LES/FDF into a hybrid framework to efficiently and accurately model the effects of combustion in the vicinity of the walls; developing efficient Lagrangian particle tracking algorithms to support robust solutions of the FDF equations for high speed flows; and utilizing finite rate chemistry parametrization, such as flamelet models, to reduce the number of transported reactive species and remove numerical stiffness. This paper briefly introduces the SFMDF model (highlighting key benefits and challenges), and discusses particle tracking for flows with shocks, the hybrid coupled RAS/PDF and LES/FDF model, flamelet generated manifolds (FGM) model, and the Irregularly Portioned Lagrangian Monte Carlo Finite Difference (IPLMCFD) methodology for scalable simulation of high-speed reacting compressible flows.

Drozda, Tomasz G.↗

DOE OSTI2023

Active Learning Framework

Machine learning (ML) of interatomic potentials show great promise to accelerate scientific simulation, e.g., by emulating expensive computations at a high accuracy but much reduced computational cost. Training datasets are calculated from computationally expensive ab initio quantum mechanics methods, density functional theory (DFT). Trained on this data, an ML model can be very successful in predicting energy and forces for new atomic configurations. A critical factor is the quality and diversity of the training dataset. Thus, a highly automated approach to dataset construction based on active learning framework is designed suitable for material physics. The active learning scheme begins with fully randomized atomic configurations. Then, many Molecular Dynamics (MD) trajectories are simulated using current ML potentials, where each MD trajectory is initialized to a random disordered configuration. The temperature is varied in order to diversify the sampled configuration during these simulations. The variance of predictions for eight neural networks within an ensemble is analyzed to determine whether the model is operating as expected. This helps in determining whether collecting more data would be helpful to the model by checking the ensemble variance is greater than the threshold. In this case, the MD trajectory is terminated and the final atomic configuration is placed on a queue (SQL database) for DFT calculations and added to training dataset. Periodically, ML model is retrained to the updated training model. This Active Learning loop is iterated until the cost of MD simulations becomes prohibitively expensive. The MD simulations will hopefully be sufficiently robust to support nucleation after many active learning iterations. In this sense, active learning scheme must automatically discover the important low energy and nonequilibrium physics.

Nebgen, Benjamin↗

NASA NTRS1999

Simulation of Ozone and Long Lived Tracers in the GSFC Two-Dimensional Model

The GSFC two-dimensional transport and chemistry model has been used for a wide variety of scientific and assessment studies of stratospheric ozone. Transport is a key element in the ozone simulations, and we have recently upgraded our model transport formulation to include much of the information about atmospheric transport processes available from existing data sets. To properly evaluate the model transport, it is desirable to examine the effects of transport and photochemistry separately. Recently, high quality observations of several long lived stratospheric tracers have become available from aircraft, balloon, and satellite measurement systems. This data provides a means to do a detailed model transport evaluation, as has been done in the recent Models and Measurements Intercomparison Project II. In this paper, we will discuss the GSFC 2D model simulations of ozone together with model-data comparisons of long lived tracers such as methane and the age of air transport diagnostic. We will show that the model can reproduce many of the transport-sensitive features observed in the stratosphere, and can compare reasonably well with measurements of both total ozone and long lived tracers simultaneously. We will also discuss the model deficiencies in simulating some of the detailed aspects of the observations.

Fleming, Eric L.↗

NASA NTRS2015

Spatial and Temporal Variability of Trace Gas Columns Derived from WRF/Chem Regional Model Output: Planning for Geostationary Observations of Atmospheric Composition

We quantify both the spatial and temporal variability of column integrated O3, NO2, CO, SO2, and HCHO over the Baltimore / Washington, DC area using output from the Weather Research and Forecasting model with on-line chemistry (WRF/Chem) for the entire month of July 2011, coinciding with the first deployment of the NASA Earth Venture program mission Deriving Information on Surface conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ). Using structure function analyses, we find that the model reproduces the spatial variability observed during the campaign reasonably well, especially for O3. The Tropospheric Emissions: Monitoring of Pollution (TEMPO) instrument will be the first NASA mission to make atmospheric composition observations from geostationary orbit and partially fulfills the goals of the Geostationary Coastal and Air Pollution Events (GEO-CAPE) mission. We relate the simulated variability to the precision requirements defined by the science traceability matrices of these space-borne missions. Results for O3 from 0- 2 km altitude indicate that the TEMPO instrument would be able to observe O3 air quality events over the Mid-Atlantic area, even on days when the violations of the air quality standard are not widespread. The results further indicated that horizontal gradients in CO from 0-2 km would be observable over moderate distances (≥ 20 km). The spatial and temporal results for tropospheric column NO2 indicate that TEMPO would be able to observe not only the large urban plumes at times of peak production, but also the weaker gradients between rush hours. This suggests that the proposed spatial and temporal resolutions for these satellites as well as their prospective precision requirements are sufficient to answer the science questions they are tasked to address.

TEMPO↗

DOE OSTI2025

Software Quality Assurance for the MOOSE-Based Open-Source Multiphysics Code Cardinal - An Expanded CI Testing Suite

Cardinal is a wrapping of the GPU-oriented spectral element Computational Fluid Dynamics (CFD) code NekRS and the Monte Carlo particle transport code OpenMC within the Multiphysics Object-Oriented Simulation Environment (MOOSE). Cardinal provides high-resolution thermal-hydraulics and/or radiation transport feedback to MOOSE multiphysics simulations. Multiphysics feedback is implemented in a geometry-agnostic manner which eliminates the need for rigid one-to-one mappings. A generic data transfer implementation also allows NekRS and OpenMC to couple to any MOOSE application, enabling a broad set of multiphysics capabilities. Cardinal simulations can also leverage combinations of MPI, OpenMP, and GPU resources. Cardinal continuous development and improvement efforts have led to the software being considered as a high-fidelity design and licensing tool for key areas of nuclear reactor relevant physics, including neutron transport, fluid flow, heat transfer, and mechanical processes. The fast development and expansion of the software from a pure R&D framework towards its application in the nuclear industry and regulation require a focus on developing, enhancing and, maintaining Cardinal’s software quality through strict adherence to a Software Quality Assurance (SQA) framework and SQA program. To facilitate compliance with SQA standards, the Cardinal SQA Program has been initiated during Fiscal Year 2023 (FY23). During the development of the Cardinal SQA Program, multiple gaps have been identified. These gaps are primarily related to model verification and code pedigree as they relate to the use of Cardinal as a safety analysis tool. These gaps have been captured in a report published in 2023. A second report highlighted the progress made during Fiscal Year 2024 (FY24) and described Argonne’s effort to document and integrate software verification within Cardinal’s software development process. This report documents a snapshot of the verification test cases currently available for Cardinal and NekRS in their assimilation into a Continuous Integration (CI) platform. Following the CI practice permits the integrating of source code changes frequently and ensuring that the integrated codebase clears the verification testing for the software. It should be noted that the SQA program itself, including the program plans, procedures, configuration management, and testing strategies, need to be developed in a future step of this task.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Effects of residue removal and tillage on greenhouse gas emissions in continuous corn systems as simulated with RZWQM2

Agricultural production is a major source of carbon dioxide (CO 2 ) and nitrous oxide (N 2 O) globally. The effects of conservation practices on soil CO 2 and N 2 O emissions remain a high degree of uncertainty. In this study, soil CO 2 and N 2 O emissions under different residue and tillage practices in an irrigated, continuous corn system, were investigated using the Root Zone Water Quality Model (RZWQM2). Combinations of no/high stover removal (NR and HR, respectively) and no-till/conventional tillage (NT and CT, respectively) field experiments were tested over the four crop-years (Apr. 2011–Apr. 2015). The model was calibrated using the NRCT, and validated with other treatments. The simulation results showed that soil volumetric water content (VWC) in the NR treatments (i.e., NRCT and NRNT) was 1.3%–1.9% higher than that in the HR treatments (i.e., HRCT and HRNT) averaged across the four years. A higher amount of CO 2 and N 2 O emissions were simulated in the NRCT across the four years (annual average: 7034 kg C/ha/yr for CO 2 and 3.8 kg N/ha/yr for N 2 O), and lower emissions were in the HRNT (annual average: 6329 kg C/ha/yr and 3.7 kg N/ha/yr for N 2 O). A long-term simulation (2001–2015) suggested that the CO 2 and N 2 O emissions were closely correlated with the stover removal degree (SRD), tillage, VWC, soil temperature (ST), years in management (Y), and fertilizer application. Stover and tillage practices had cumulative effects on CO 2 emissions. The simulated annual CO 2 emissions in 1st year from NRCT, NRNT, and HRCT were 7.8%, 0.0%, and 7.7% higher than that from HRNT, respectively; then the emissions in 15th year were 63.6%, 47.7%, and 29.1% higher, respectively. Meanwhile, there were no cumulative effects on N 2 O emissions. Furthermore, the results also demonstrated that the RZWQM2 is a promising tool for evaluating the long-term effects of CO 2 and N 2 O emissions on different conservation practices.

54 ENVIRONMENTAL SCIENCES↗