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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

AI-powered exploration of molecular vibrations, phonons, and spectroscopy

The vibrational dynamics of molecules and solids play a critical role in defining material properties, particularly their thermal behaviors. However, theoretical calculations of these dynamics are often computationally intensive, while experimental approaches can be technically complex and resource-demanding. Recent advancements in data-driven artificial intelligence (AI) methodologies have substantially enhanced the efficiency of these studies. This review explores the latest progress in AI-driven methods for investigating atomic vibrations, emphasizing their role in accelerating computations and enabling rapid predictions of lattice dynamics, phonon behaviors, molecular dynamics, and vibrational spectra. Key developments are discussed, including advancements in databases, structural representations, machine-learning interatomic potentials, graph neural networks, and other emerging approaches. Compared to traditional techniques, AI methods exhibit transformative potential, dramatically improving the efficiency and scope of research in materials science. The review concludes by highlighting the promising future of AI-driven innovations in the study of atomic vibrations.

Han, Bowen [Oak Ridge National Laboratory (ORNL), ↗
DOE OSTI2024

Generation of macro- and microplastic databases by high-throughput FTIR analysis with microplate readers

Abstract FTIR spectral identification is today’s gold standard analytical procedure for plastic pollution material characterization. High-throughput FTIR techniques have been advanced for small microplastics (10–500 µm) but less so for large microplastics (500–5 mm) and macroplastics (> 5 mm). These larger plastics are typically analyzed using ATR, which is highly manual and can sometimes destroy particles of interest. Furthermore, spectral libraries are often inadequate due to the limited variety of reference materials and spectral collection modes, resulting from expensive spectral data collection. We advance a new high-throughput technique to remedy these problems using FTIR microplate readers for measuring large particles (> 500 µm). We created a new reference database of over 6000 spectra for transmission, ATR, and reflection spectral collection modes with over 600 plastic, organic, and mineral reference materials relevant to plastic pollution research. We also streamline future analysis in microplate readers by creating a new particle holder for transmission measurements using off-the-shelf parts and fabricating a nonplastic 96-well microplate for storing particles. We determined that particles should be presented to microplate readers as thin as possible due to thick particles causing poor-quality spectra and identifications. We validated the new database using Open Specy and demonstrated that additional transmission and reflection spectra reference data were needed in spectral libraries. Graphical abstract

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2022

Revisiting the Solar Research Cyberinfrastructure Needs: A White Paper of Findings and Recommendations

Solar and Heliosphere physics are areas of remarkable data-driven discoveries. Recent advances in high cadence, high-resolution multiwavelength observations, growing amounts of data from realistic modeling, and operational needs for uninterrupted science-quality data coverage generate the demand for a solar metadata standardization and overall healthy data infrastructure. This white paper is prepared as an effort of the working group “Uniform Semantics and Syntax of Solar Observations and Events” created within the “Towards Integration of Heliophysics Data, Modeling, and Analysis Tools” EarthCube Research Coordination Network (@HDMIEC RCN), with primary objectives to discuss current advances and identify future needs for the solar research cyberinfrastructure. The white paper summarizes presentations and discussions held during the special working group session at the EarthCube Annual Meeting on June 19th, 2020, as well as community contribution gathered during a series of preceding workshops and subsequent RCN working group sessions. The authors provide examples of the current standing of the solar research cyberinfrastructure, and describe the problems related to current data handling approaches. The list of the top-level recommendations agreed by the authors of the current white paper is presented at the beginning of the paper.

SMD↗
DOE OSTI2024

High-Throughput Microstructural Characterization and Process Correlation Using Automated Electron Backscatter Diffraction

The need to optimize the processing conditions of additively manufactured (AM) metals and alloys has driven advances in throughput capabilities for material property measurements such as tensile strength or hardness. High-throughput (HT) characterization of AM metal microstructure has fallen significantly behind the pace of property measurements due to intrinsic bottlenecks associated with the artisan and labor-intensive preparation methods required to produce highly polished surfaces. This inequality in data throughput has led to a reliance on heuristics to connect process to structure or structure to properties for AM structural materials. In this study, we show a transformative approach to achieve laser powder bed fusion (LPBF) printing, HT preparation using dry electropolishing and HT electron backscatter diffraction (EBSD). This approach was used to construct a library of > 600 experimental EBSD sample sets spanning a diverse range of LPBF process conditions for AM Kovar. This vast library is far more expansive in parameter space than most state-of-the-art studies, yet it required only approximately 10 labor hours to acquire. Build geometries, surface preparation methods, and microscopy details, as well as the entire library of >600 EBSD data sets over the two sample design versions, have been shared with intent for the materials community to leverage the data and further advance the approach. Using this library, we investigated process–structure relationships and uncovered an unexpected, strong dependence of microstructure on location within the build, when varied, using otherwise identical laser parameters.

Characterization and Analytical Technique↗
DOE OSTI2021

Error Characteristics and Scale Dependence of Current Satellite Precipitation Estimates Products in Hydrological Modeling

Satellite precipitation estimates (SPEs) are promising alternatives to gauge observations for hydrological applications (e.g., streamflow simulation), especially in remote areas with sparse observation networks. However, the existing SPEs products are still biased due to imperfections in retrieval algorithms, data sources and post-processing, which makes the effective use of SPEs a challenge, especially at different spatial and temporal scales. In this study, we used a distributed hydrological model to evaluate the simulated discharge from eight quasi-global SPEs at different spatial scales and explored their potential scale effects of SPEs on a cascade of basins ranging from approximately 100 to 130,000 km 2 . The results indicate that, regardless of the difference in the accuracy of various SPEs, there is indeed a scale effect in their application in discharge simulation. Specifically, when the catchment area is larger than 20,000 km2, the overall performance of discharge simulation emerges an ascending trend with the increase of catchment area due to the river routing and spatial averaging. Whereas below 20,000 km 2 , the discharge simulation capability of the SPEs is more randomized and relies heavily on local precipitation accuracy. Our study also highlights the need to evaluate SPEs or other precipitation products (e.g., merge product or reanalysis data) not only at the limited station scale, but also at a finer scale depending on the practical application requirements. Here we have verified that the existing SPEs are scale-dependent in hydrological simulation, and they are not enough to be directly used in very fine scale distributed hydrological simulations (e.g., flash flood). More advanced retrieval algorithms, data sources and bias correction methods are needed to further improve the overall quality of SPEs.

DTVGM↗
DOE OSTI2020

Nuclear data uncertainty propagation and modeling uncertainty impact evaluation in neutronics core simulation

Uncertainty analysis is a critical requirement in reactor simulation as it is used to quantify the reliability of best-estimate calculation. A comprehensive uncertainty analysis should characterize all sources of uncertainties in a computationally-feasible and scientifically-defendable manner. Here we employ a well-established reduced order modeling (ROM) based uncertainty quantification methodology to propagate uncertainties throughout neutronic calculations. ROM relies on recent advances in randomized data mining techniques applied to large data streams. In our proposed implementation, the nuclear data uncertainties are first propagated from multi-group level through lattice physics calculation to generate few-group parameter uncertainties, described using a vector of mean values and a covariance matrix. Employing an ROM-based compression of the covariance matrix, the few-group uncertainties are then propagated through downstream core simulation in a computationally efficient manner. This straightforward approach, albeit efficient as compared to brute force forward and/or adjoint-based methods, often employs a number of assumptions that have been unquestioned in the literature of neutronic uncertainty analysis. This manuscript argues that these assumptions could introduce another source of uncertainty referred to as modeling uncertainties, whose magnitude needs to be quantified in tandem with nuclear data uncertainties. Thus, our primary goal is to explore the interactions between these two uncertainty sources in order to assess whether modeling uncertainties have an impact on parameter uncertainties. To explore this endeavor, the impact of a number of modeling assumptions on core attributes uncertainties is quantified. The study employs a CANDU reactor model, with Serpent and NEWT as lattice physics solvers and NESTLE-C as core simulator. The modeling assumptions investigated include those related with the uncertainty propagation method employed, e.g., deterministic vs. stochastic, the few-group energy structure employed to represent the cross-sections, the resonance treatment in lattice physics calculation, the reference values for the cross-section, and the number of samples employed to render ROM compression. Results indicate that some of the modeling assumptions could have a non-negligible impact on the core responses propagated uncertainties, highlighting the need for a more comprehensive approach to combine parameter and modeling uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

The prediction of transonic loading advancing helicopter rotors

Two different schemes are presented for including the effect of rotor wakes on the finite-difference prediction of rotor loads. The first formulation includes wake effects by means of a blade-surface inflow specification. This approach is sufficiently simple to permit coupling of a full-potential finite-difference rotor code to a comprehensive integral model for the rotor wake and blade motion. The coupling involves a transfer of appropriate loads and inflow data between the two computer codes. Results are compared with experimental data for two advancing rotor cases. The second rotor wake modeling scheme in this paper is a split potential formulation for computing unsteady blade-vortex interactions. Discrete vortex fields are introduced into a three-dimensional, conservative, full-potential rotor code. Computer predictions are compared with two experimental blade-vortex interaction cases.

Strawn, R.↗
NASA NTRS1986

The prediction of transonic loading on advancing helicopter rotors

Two different schemes are presented for including the effect of rotor wakes on the finie-difference prediction of rotor loads. The first formulation includes wake effects by means of a blade-surface inflow specification. This approach is sufficiently simple to permit coupling of a full-potential finite-difference rotor code to a comprehensive integral model for the rotor wake and blade motion. The coupling involves a transfer of appropriate loads and inflow data between the two computer codes. Results are compared with experimental data for two advancing rotor cases. The second rotor-wake modeling scheme is a split potential formulation for computing unsteady blade-vortex interactions. Discrete vortex fields are introduced into a three-dimensional, conservative, full-potential rotor code. Computer predictions are compared with two experimental blade-vortex interaction cases.

Strawn, R. C.↗
NASA NTRS2000

A Historical Perspective on Dynamics Testing at the Langley Research Center

The history of structural dynamics testing research over the past four decades at the Langley Research Center of the National Aeronautics and Space Administration is reviewed. Beginning in the early sixties, Langley investigated several scale model and full-scale spacecraft including the NIMBUS and various concepts for Apollo and Viking landers. Langley engineers pioneered the use of scaled models to study the dynamics of launch vehicles including Saturn I, Saturn V, and Titan III. In the seventies, work emphasized the Space Shuttle and advanced test and data analysis methods. In the eighties, the possibility of delivering large structures to orbit by the Space Shuttle shifted focus towards understanding the interaction of flexible space structures with attitude control systems. Although Langley has maintained a tradition of laboratory-based research, some flight experiments were supported. This review emphasizes work that, in some way, advanced the state of knowledge at the time.

Horta, Lucas G.↗
NASA NTRS1987

Cruise noise of the 2/9th scale model of the Large-scale Advanced Propfan (LAP) propeller, SR-7A

Noise data on the Large-scale Advanced Propfan (LAP) propeller model SR-7A were taken in the NASA Lewis Research Center 8 x 6 foot Wind Tunnel. The maximum blade passing tone noise first rises with increasing helical tip Mach number to a peak level, then remains the same or decreases from its peak level when going to higher helical tip Mach numbers. This trend was observed for operation at both constant advance ratio and approximately equal thrust. This noise reduction or, leveling out at high helical tip Mach numbers, points to the use of higher propeller tip speeds as a possible method to limit airplane cabin noise while maintaining high flight speed and efficiency. Projections of the tunnel model data are made to the full scale LAP propeller mounted on the test bed aircraft and compared with predictions. The prediction method is found to be somewhat conservative in that it slightly overpredicts the projected model data at the peak.

Dittmar, James H.↗
NASA NTRS1987

Cruise noise of the 2/9 scale model of the Large-scale Advanced Propfan (LAP) propeller, SR-7A

Noise data on the Large-scale Advanced Propfan (LAP) propeller model SR-7A were taken in the NASA Lewis Research Center 8 x 6 foot Wind Tunnel. The maximum blade passing tone noise first rises with increasing helical tip Mach number to a peak level, then remains the same or decreases from its peak level when going to higher helical tip Mach numbers. This trend was observed for operation at both constant advance ratio and approximately equal thrust. This noise reduction or, leveling out at high helical tip Mach numbers, points to the use of higher propeller tip speeds as a possible method to limit airplane cabin noise while maintaining high flight speed and efficiency. Projections of the tunnel model data are made to the full scale LAP propeller mounted on the test bed aircraft and compared with predictions. The prediction method is found to be somewhat conservative in that it slightly overpredicts the projected model data at the peak.

Dittmar, James H.↗
DOE OSTI2023

HYBRID Modeling Validation and Verification Status Matrix

The HYBRID modeling repository is a premier resource for integrated energy systems modeling. HYBRID models have been developed since 2015 to describe the physical operation of tightly coupled thermal systems including power generators, thermal transport systems, thermal storage, thermal-to-electric conversion systems, and other thermal applications. Due to the increased size of the repository, a concise summary matrix of available models is desired. This matrix will consolidate not only the list of available models but also indicate original information sources, publications that have model examples, and level of validation and verification that exists for the models. Validation and verification (V&V) levels begin from simplified algebraic relationship and advance to dynamic data validation. Moving forward, as new models are contributed to HYBRID, their V&V level will be included, updating this matrix.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1982

Study of sensor spectral responses and data processing algorithms and architectures for onboard feature identification

A computational model of the deterministic and stochastic processes involved in remote sensing is used to study spectral feature identification techniques for real-time onboard processing of data acquired with advanced earth-resources sensors. Preliminary results indicate that: Narrow spectral responses are advantageous; signal normalization improves mean-square distance (MSD) classification accuracy but tends to degrade maximum-likelihood (MLH) classification accuracy; and MSD classification of normalized signals performs better than the computationally more complex MLH classification when imaging conditions change appreciably from those conditions during which reference data were acquired. The results also indicate that autonomous categorization of TM signals into vegetation, bare land, water, snow and clouds can be accomplished with adequate reliability for many applications over a reasonably wide range of imaging conditions. However, further analysis is required to develop computationally efficient boundary approximation algorithms for such categorization.

Huck, F. O.↗
NASA NTRS1983

An experimental investigation of endwall heat transfer and aerodynamics in a linear vane cascade

The purpose of this experimental investigation was to produce a data base of endwall heat transfer data under conditions that simulate those in the passage of the first-stage stator in advanced turbine engines. The data base is intended to be sufficiently complete to provide verification data for refined computational models, and to provide a basis for advanced core engine endwall cooling designs. A linear, two-dimensional cascade was used to generate the data base. The test plan provided data to examine the effects of exit Mach number, exit Reynolds number, inlet boundary layer thickness, gas-to-wall temperature ratio, inlet pressure gradients, and inlet temperature gradients. The data generated consist of inlet, intrapassage, and exit aerodynamic data plus intrapassage endwall heat flux, adiabatic wall temperature measurements, and inlet turbulence data.

York, R. E.↗
DOE OSTI2024

The advancing wave front on a sloping channel covered by a rod canopy following an instantaneous dam break

The drag coefficient Cd for a rigid and uniformly distributed rod canopy covering a sloping channel following the instantaneous collapse of a dam was examined using flume experiments. The measurements included space x and time t high resolution images of the water surface h(x, t) for multiple channel bed slopes So and water depths behind the dam Ho along with drag estimates provided by sequential load cells. Using these data, an analysis of the Saint-Venant equation (SVE) for the front speed was conducted using the diffusive wave approximation. An inferred Cd=0.4 from the h(x, t) data near the advancing front region, also confirmed by load cell measurements, is much reduced relative to its independently measured steady-uniform flow case. This finding suggests that drag reduction mechanisms associated with transients and flow disturbances are more likely to play a dominant role when compared to conventional sheltering or blocking effects on Cd examined in uniform flow. The increased air volume entrained into the advancing wave front region as determined from an inflow–outflow volume balance partly explains the Cd reduction from unity.

Mechanics↗
DOE OSTI2022

A review of computing-based automated fault detection and diagnosis of heating, ventilation and air conditioning systems

We report faults in Heating, Ventilation, and Air Conditioning (HVAC) systems of buildings result in significant energy waste in building operation. With fast-growing sensing data availability and advancement in computing, computational modeling has demonstrated strong capability to detect and diagnose HVAC system faults, hence, ensuring efficient building operation. This paper comprehensively reviews the state-of-the-art computing-based fault detection and diagnosis (FDD) for HVAC systems. Overall, the reviewed computing-based FDD methods are classified as two major approaches: knowledge-based and data-driven approaches. We then identify multiple important topics, including data availability, training data size, data quality, approach generality, capability, interpretability, and required modeling efforts, along with corresponding metrics to summarize the most updated FDD development. Generally, the knowledge-based approaches are further divided as physics-based modeling, Diagnostic Bayesian Network, and performance indicator-based methods while data-driven approaches include supervised learning, unsupervised learning, and regression and statistics-based methods. State-of-the-art FDD development, remaining challenges, and future research directions are further discussed to push forward FDD in practice. Availability of fault data, capability of existing methods to deal with complex fault situations (such as simultaneous faults), modeling interpretability for data-driven methods, and required engineering efforts for physics-based methods are identified as remaining challenges in FDD development. Improving modeling fidelity and reducing modeling efforts are essential for applying physics-based methods in real buildings. Meanwhile, addressing fault data availability, increasing algorithm adaptability, and handling multiple faults are essential to further enhance the applicability of data-driven FDD approaches.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2002

Program of Research in Flight Dynamics in the JIAFS, George Washington University at NASA Langley Research Center

The program objectives are fully defined in the original proposal entitled 'Program of Research in Flight Dynamics in GW at NASA Langley Research Center,' which was originated March 20, 1975, and in the renewals of the research program from December 1, 2000 to November 30, 2001. The program in its present form includes three major topics: 1) the improvement of existing methods and development of new methods for wind tunnel and flight test data analysis, 2) the application of these methods to wind tunnel and flight test data obtained from advanced airplanes, 3) the correlation of flight results with wind tunnel measurements, and theoretical predictions. The Principal Investigator of the program is Dr. Vladislav Klein. Three Graduate Research Scholar Assistants (K. G. Mas, M. M. Eissa and N. M. Szyba) also participated in the program. Specific developments in the program during the period Dec. 1, 2001 through Nov. 30, 2002 included: 1) Data analysis of highly swept delta wing aircraft from wind and water tunnel data, and 2) Aerodynamic characteristics of the radio control aircraft from flight test.

Klein, Vladislav↗