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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Interactive Quantum Chemistry Enabled by Machine Learning, Graphical Processing Units, and Cloud Computing

Modern quantum chemistry algorithms are increasingly able to accurately predict molecular properties that are useful for chemists in research and education. Despite this progress, performing such calculations is currently unattainable to the wider chemistry community, as they often require domain expertise, computer programming skills, and powerful computer hardware. In this review, we outline methods to eliminate these barriers using cutting-edge technologies. We discuss the ingredients needed to create accessible platforms that can compute quantum chemistry properties in real time, including graphical processing units–accelerated quantum chemistry in the cloud, artificial intelligence–driven natural molecule input methods, and extended reality visualization. We end by highlighting a series of exciting applications that assemble these components to create uniquely interactive platforms for computing and visualizing spectra, 3D structures, molecular orbitals, and many other chemical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Improved sonic-box computer program for calculating transonic aerodynamic loads on oscillating wings with thickness

A computer program was developed to account approximately for the effects of finite wing thickness in transonic potential flow over an oscillation wing of finite span. The program is based on the original sonic box computer program for planar wing which was extended to account for the effect of wing thickness. Computational efficiency and accuracy were improved and swept trailing edges were accounted for. Account for the nonuniform flow caused by finite thickness was made by application of the local linearization concept with appropriate coordinate transformation. A brief description of each computer routine and the applications of cubic spline and spline surface data fitting techniques used in the program are given, and the method of input was shown in detail. Sample calculations as well as a complete listing of the computer program listing are presented.

Ruo, S. Y.↗
DOE OSTI2024

Liquid lithium divertor analysis using coupled plasma material interaction model

A liquid lithium divertor can improve performance of future fusion devices by creating efficient power exhaust and improving the energy confinement via pumping of the hydrogen isotopes. In addition, significantly higher heat fluxes can be handled if controlled vapor shielding is used to redistribute the divertor heat flux over a wider area. Design and optimization of such a system calls for an analysis model which includes a strong two-way coupling between the plasma and divertor material. The incoming plasma heat and particle flux will affect the divertor surface temperature, which is a defining factor of the lithium evaporative and sputtered flux going into the plasma. Results of the coupled model based on the plasma edge code SOLPS-ITER and the computational fluid dynamics (CFD) code ANSYS-CFX will be presented for different configurations. An analytical slab flow model is used as a heat transfer boundary condition for SOLPS, defining particle flux from the wall via calculation of the surface temperature. At the final step, results of the SOLPS analysis are verified using a 3D CFD magnetohydrodynamics (MHD) analysis which uses heat and particle flux from SOLPS as a boundary condition. In addition to plasma heat flux, both analytical and CFD temperature models include several plasma material interaction effects, such as lithium evaporation, condensation and sputtering based on deuterium target flux. New adatom sputtering model based on the available experimental data is presented. Analytical model is expanded to include free surface axisymmetric configurations. Results of parametric studies of the divertor configurations with different lithium inlet temperature and velocity will be presented leading to the optimal design resulting in the lowest possible lithium contamination in the core.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

The Heterogeneous Integration of Electronic Components

Heterogeneous integration (HI) of electronics components is broadly recognized as a powerful and crucial enabler for the continued growth of computing and communication. From 2010 onwards, the value of HI is increasingly visible in the advanced packaging used in artificial intelligence, high-performance computing, smartphones and communications product implementations. In this Perspective, we argue that HI is crucial to semiconductors and more broadly to the continued evolution of computing and communications. We use leading-edge advanced packaging examples to represent the value, advancements and opportunities for HI. To succeed, it is critical to develop comprehensive HI roadmaps that inform collaborations across the design, manufacturing and reliability spectrum between systems architects, packaging and semiconductor technologists to common goals. Although this article does not provide a full roadmap, we instead detail additional parameters for artificial intelligence, smartphone and other cellular communication devices, and their constituent building blocks including interconnects, power electronics, photonics, thermal management, reliability, modelling and co-design, to foster greater collaboration opportunities among academia, research laboratories and industry.

42 ENGINEERING↗
DOE OSTI2025

Cyclically symmetric radially self-similar phononic pseudocrystal isolator for broadband, ultrasonic vibration bandstop filtering

A 2D phononic pseudocrystal isolator exhibiting cyclic symmetry and radial self-similarity is measured and demonstrated to block a wide range of ultrasonic vibration. Measurements of longitudinal and shear wave blocking effects are made and compared with computational results. The use of the bandgap edge ratio is recommended for quantifying suppression in very-wide-bandgap materials. In conclusion, the upper-to-lower suppression edge frequency ratios of 3–4 are remarkably large for shear waves and even larger for longitudinal waves upper-to-lower suppression ratio (13 at 5 dB), such that 92.5% of frequencies in that range experience ≥ 5 dB of suppression.

Acoustic metamaterial↗
DOE OSTI2019

Single-Net Continual Learning with Progressive Segmented Training

There is an increasing need of continual learning in dynamic systems, such as the self-driving vehicle, the surveillance drone, and the robotic system. Such a system requires learning from the data stream, training the model to preserve previous information and adapt to a new task, and generating a single-headed vector for future inference. Different from previous approaches with dynamic structures, this work focuses on a single network and model segmentation to prevent catastrophic forgetting. Leveraging the redundant capacity of a single network, model parameters for each task are separated into two groups: one important group which is frozen to preserve current knowledge, and secondary group to be saved (not pruned) for a future learning. A fixed-size memory containing a small amount of previously seen data is further adopted to assist the training. Without additional regularization, the simple yet effective approach of Progressive Segmented Training (PST) successfully incorporates multiple tasks and achieves the state-of-the-art accuracy in the single-head evaluation on CIFAR-10 and CIFAR-100 datasets. Moreover, the segmented training significantly improves computation efficiency in continual learning at the edge.

Du, Xiaocong↗
DOE OSTI2023

A Blockchain-Enabled Sustainable Safety Management Framework for Connected Vehicles

The notion of an intelligent transportation system (ITS) aims to boost the performance of transportation networks, which has gained more and more traction in both academic and commercial circles. ITS is a constantly evolving vision that combines cutting-edge transportation approaches with new information, communication, computers, and other technology. ITS should discover consequence routes to enhance the sustainability, safety, and trustworthiness of the entire transportation system utilizing emerging technologies. In this paper, a sustainable safety management framework for connected vehicles is proposed by integrating blockchain. It introduces smart transportation equipment called an AI-enabled vehicle smart device (AVSD) for vehicular communications. AVSD can reduce energy consumption by decreasing the computational costs in vehicular communications. Smart contracts are used to identify vehicles automatically and establish secure communication among vehicles and emergency service stations (ESSs) like hospitals, police stations, and fire stations. The experiment results show that the proposed framework provides a communication environment for sustainable safety and security using the introduced smart transportation device. In conclusion, the proposed blockchain-enabled sustainable safety management framework has the potential to improve safety and sustainability in the transportation industry by creating a secure, decentralized, and transparent platform for managing safety data and promoting safe and sustainable driving behaviors.

42 ENGINEERING↗
DOE OSTI2024

Nanoparticle self-assemblies with modern complexity

Thanks to decades of tireless efforts, nanoparticle assemblies have reached at an extremely high level of controllability, sophistication, and complexity, with new insights provided by integration with graph theory, cutting-edge characterization, and machine learning (ML)-based computation and modeling, as well as with ever-diversifying applications in energy, catalysis, biomedicine, optics, electronics, magnetics, organic biosynthesis, and quantum technology. Nanoparticle assemblies can be crystalline, known as superlattices or supracrystals. Their assembly entails a transition from disorder—dispersed nanoparticles—to order, which can be achieved through classical nucleation pathways or nonclassical pathways via prenucleation precursors or particle aggregation. Further, the periodic lattices allow facile manipulations of electrons, phonons, photons, and even spins, leading to advanced device components and metamaterials. Meanwhile, aperiodic assemblies out of nanoparticles, such as gels, networks, and amorphous solids, also start to attract attentions. Despite the loss of periodicity, symmetry-lowering or symmetry-breaking three-dimensional (3D) structures emerge with unique properties, such as chiroptical activity, topological mechanical strength, and quantum entanglement. Real-space imaging such as electron microscopy and X-ray based tomography methods are utilized to characterize these complex structures, while mathematical tools such as graph theories are in need to describe such complex structures. This issue aims to provide a timely review of the efforts in this greatly broadened materials design space including experiment, simulation, theory, and applications. Nine top experts (and their teams) from four countries deliver six review papers, summarizing fundamental mechanistic understandings of nanoparticle assemblies, highlighted with the developments of state-of-the-art in situ characterization tools and ML-assisted reverse engineering, and newly emergent applications of nanoarchitectures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Large-Scale Trajectory Analysis via Feature Vectors

The explosion of both sensors and GPS-enabled devices has resulted in position/time data being the next big frontier for data analytics. However, many of the problems associated with large numbers of trajectories do not necessarily have an analog with many of the historic big-data applications such as text and image analysis. Modern trajectory analytics exploits much of the cutting-edge research in machine-learning, statistics, computational geometry and other disciplines. We will show that for doing trajectory analytics at scale, it is necessary to fundamentally change the way the information is represented through a feature-vector approach. We then demonstrate the ability to solve large trajectory analytics problems using this representation.

58 GEOSCIENCES↗
DOE OSTI2026

Bayesian chain graph models to characterize microbe-environment dynamics

Microbiome data require statistical models that can simultaneously decode microbes' reaction to the environment and interactions among microbes. While a multiresponse linear regression model seems like a straight-forward solution, we argue that treating it as a graphical model is problematic given that the regression coefficient matrix does not encode the conditional dependence structure between response and predictor nodes. This observation is especially important in biological settings when we have prior knowledge on the edges from specific experimental interventions that can only be properly encoded under a conditional dependence model. Here, we propose a chain graph model with two sets of nodes (predictors and responses) whose solution yields a graph with edges that indeed represent conditional dependence, thus agreeing with the experimenter's intuition on the average behavior of nodes under treatment. The solution to our model is sparse via the Bayesian linear regression (LASSO). In addition, we propose an adaptive extension so that different shrinkages can be applied to different edges to incorporate edge-specific prior knowledge. Our model is computationally inexpensive through an efficient Gibbs sampling algorithm and can account for binary, counting, and compositional responses via an appropriate hierarchical structure. We test the performance of our model in a variety of simulated datasets, thereby showing superior performance to state-of-the-art approaches. We further apply our model to human gut and soil microbial compositional datasets, and we highlight that CG-LASSO can estimate biologically meaningful network structures in the data.

compositional data↗
NASA NTRS1979

Wake curvature and trailing edge interaction effects in viscous flow over airfoils

A theory developed for analyzing viscous flows over airfoils at high Reynolds numbers is described. The theory includes a complete treatment of viscous interaction effects induced by the curved wake behind the airfoil and accounts for normal pressure gradients across the boundary layer in the trailing edge region. A brief description of a computer code that was developed to solve the extended viscous interaction equations is given. Comparisons of the theoretical results with wind tunnel data for two rear loaded airfoils at supercritical conditions are presented.

Melnik, R. E.↗
NASA NTRS1978

A comparison of cloud motion winds from ATS 6 images with coinciding SMS 1 winds

A methodology is developed for accurate measurement of cloud motion winds from the geosynchronous ATS 6 image data. Attitude changes between consecutive images (as a function of scan-line number) are accounted for in wind computations through measurement of the earth-edge displacements between the successive infrared images. Also, an image matching procedure is used to remove obvious and distracting image distortions. The availability of SMS imagery coinciding with ATS 6 imagery makes SMS an excellent reference against which the quality of ATS 6 winds can be tested. The resulting winds inferred from cloud displacement measurements taken from a sequence of the corrected images are found to agree better than 2 m/sec rms with winds measured from coincident SMS 1 imagery.

Kuhlow, W. W.↗
NASA NTRS1983

LANDSAT-D investigations in snow hydrology

Progress on the registration of TM data to digital topographic data; on comparison of TM, MSS and NOAA meteorological satellite data for snowcover mapping; and on radiative transfer models for atmospheric correction is reported. Some methods for analyzing spatial contiguity of snow within the snow covered area were selected. The methods are based on a two-channel version of the grey level co-occurence matrix, combined with edge detection derived from an algorithm for computing slopes and exposures from digital terrain data.

Dozier, J.↗
NASA NTRS1984

Evaluation of the solar disk sextant concept

In this paper the viability of the solar disk sextant concept is evaluated, the optimum parameters required to carry out solar variability studies, which are the mission objectives, are derived. The experimental environment is first discussed, followed by the application of the finite Fourier transform definition (FFTD) to the detector array data. The requirements on the optical system are studied next. A computer program was carried out simulating solar edge data and FFTD. From this study, it is concluded that the required accuracy of measurement may be reached using currently available detector array technology, a focal ratio of the optical system in excess of 90, and an entrance aperture of 22 cm. The guidance error must be small enough to require no more than a correction rate of 0.1 arcsec/sec. All these conditions are well within current technology.

Chiu, H.-Y.↗
NASA NTRS1987

Advanced propeller research

Resent results of aerodynamic and acoustic research on both single and counter-rotation propellers are reviewed. Data and analytical results are presented for three propellers: SR-7A, the single rotation design used in the NASA Propfan Test Assessment (PTA); and F7-A7, the 8+8 counterrotating design used in the proof-of-concept Unducted Fan (UDF) engine. In addition to propeller efficiencies, cruise and takeoff noise, and blade pressure data, off-design phenomena involving formation of leading edge vortices are described. Aerodynamic and acoustic computational results derived from three-dimensional Euler and acoustic radiation codes are presented. Research on unsteady flows, which are particularly important for understanding counterrotation interaction noise, unsteady loading effects on acoustics, and flutter or forced response is described. The first results of three-dimensional unsteady Euler solutions are illustrated for a single rotation propeller at an angle of attack and for a counterrotation propeller. Basic experimental and theoretical results from studies of the unsteady aerodynamics of oscillating cascades are outlined. Finally, advanced concepts involving swirl recovery vanes and ultra bypass ducted propellers are discussed.

Groeneweg, John F.↗
NASA NTRS1990

Tests on a sodium/Hastelloy X wing leading edge heat pipe for hypersonic vehicles

A full-scale, internally instrumented, sodium/Hastelloy X heat pipe was designed and fabricated for the wing leading edge of an advanced reentry vehicle. A computer model was developed to predict the heat pipe startup. The heat pipe was tested, and the results were used to validate the startup methodologies. In addition, valuable fabrication and test procedure lessons were learned.

Boman, B. L.↗
NASA NTRS1991

Numerical aspects of computing high Reynolds number flows on unstructured meshes

An edge-data structure describing a mesh edge-wise given the vertices of each edge and neighboring cell information is used developing algorithms for the Navier-Stokes equations on triangular meshes. Edge formulas for the Galerkin and finite-element discretization of gradient, divergence, Hessian, and Laplacian operators are derived. A simple edge formula is derived for the discretization of the Laplacian operator, where precise theoretical conditions for a discrete maximum principle can be ascertained. Practical issues associated with solving the Navier-Stokes equations on unstructured meshes are addressed, along with issues concerning the generation of highly stretched triangular meshes and the modeling of turbulence on unstructured meshes. A turbulence modeling strategy is proposed, and numerical results for a high-Reynolds-number flow about single- and multielement airfoils are discussed.

Barth, Timothy J.↗