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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Probing Structural Reconstruction of Metal Nanoparticles under Annealing and Water Vapor Conditions: A Theoretical Study

Knowing the structural reconstruction of metal nanoparticles (NPs) under working conditions is of great importance to catalytic processes. Here, using Wulff construction combined with density functional theory (DFT) and molecular dynamics (MD) simulation, we investigated truncated octahedron-based Rh and Ir NPs (3.5, 5.5, and 9.5 nm in size) with different morphology for their structural reconstruction under annealing and water vapor conditions. Our MD results show that the NPs with lower average atomic coordination number ($\overline{CN}$) of surface atoms have lowered structural transformation inertness and thermal stability, resulting in more severe structural transition especially for smaller-sized NPs and Ir NPs. Under water vapor conditions, the competition between the interfacial tension ($γ^{\overline{int}}_{hkl}$) of (111) and (110) facets plays a major role in driving the shape evolution of Rh and Ir NPs by minimizing the total surface tension. It is revealed that annealing in vacuum/water vapor condition is an irreversible/reversible process on Rh and Ir NPs. We identified that the total adsorbate–metal ($γ^{\overline{int}}_{hkl}$) can serve as a key stability parameter for describing the potential energy surface of adsorbate–metal NP system in a variable gaseous environment (P, T).

36 MATERIALS SCIENCE↗
DOE OSTI2017

Radiation transport in kinetic simulations and the influence of photoemission on electron current in self-sustaining discharges

A kinetic description for electronic excitation of helium for principal quantum number n $\leqslant $ 4 has been included into a particle-in-cell (PIC) simulation utilizing direct simulation Monte Carlo (DSMC) for electron-neutral interactions. The excited electronic levels radiate state-dependent photons with wavelengths from the extreme ultraviolet (EUV) to visible regimes. Photon wavelengths are chosen according to a Voigt distribution accounting for the natural, pressure, and Doppler broadened linewidths. This method allows for reconstruction of the emission spectrum for a non-thermalized electron energy distribution function (EEDF) and investigation of high energy photon effects on surfaces, specifically photoemission. A parallel plate discharge with a fixed field (i.e. space charge neglected) is used to investigate the effects of including photoemission for a Townsend discharge. When operating at a voltage near the self-sustaining discharge threshold, it is observed that the electron current into the anode is higher when including photoemission from the cathode than without even when accounting for self-absorption from ground state atoms. As a result, the photocurrent has been observed to account for as much as 20% of the total current from the cathode under steady-state conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Acoustic Travel-Time Tomography for Wind Energy

New remote sensing technologies for direct observation of the atmospheric flow in the proximity of operating wind turbines are necessary for the advancement of wind turbine design, wind plant control, and the validation of high-fidelity numerical models; fundamental goals of the DOE Wind Energy Technology Office's (WETO's) A2e program. Modern remote sensing technologies for commercial and research applications rely on the backscatter of light or sound waves, which limits spatial and temporal resolution and cannot produce reliable flow estimates near solid bodies or reflective surfaces. Acoustic tomography (AT) is an innovative sensing technology based on fundamental thermodynamic properties of the atmosphere and an inverse algorithm that can reconstruct both velocity and temperature fields within a network of acoustic transducers. AT relies on the direct travel path of acoustic signals between speakers and microphones in the network and can achieve much higher resolutions than conventional backscatter technologies. For wind energy R&D applications, AT represents an extremely economical option over other remote sensing technologies, integrating mature and commonly available acoustic and signal processing hardware. This report is intended as an update on the development of the AT array on the NREL Flatirons Campus (FC) and includes a brief review of the instrumentation, the calibration of equipment, signal processing, and resulting flow field estimates. Designs for future AT systems and applications are detailed in this report, including summaries of new capabilities, engineering and theoretical challenges, and anticipated costs help to outline future directions for AT technology R\&D. The potential for application of AT to utility-scale turbines is also discussed. Investing in the development of the proposed instrument will establish AT as a transformational RS technique that represents a significant advance in measurement instrumentation, enabling new fundamental insights into the structure of the atmospheric boundary layer and supporting applications for wind energy, pollution transport, and resource characterization. AT is also an extremely economical option over other RS instruments, integrating mature and commonly available acoustic and signal processing hardware.

17 WIND ENERGY↗
DOE OSTI2022

Understanding the Physics Representation of Deep Learning Models in Environmental Applications

Deep learning (DL) models have been popular in earth and environmental modeling and analysis, which exhibit huge potential in capturing and reconstructing the non-linearity of relevant environmental processes. They are extensively used as analytical tools or emulators for multiple domains (atmosphere, land surface, ocean, and biogeochemistry). Despite their success, their internal working mechanism remains largely unknown. Such a lack of knowledge hinders the identification of physically consistent models that are fully adaptive to non-stationary climate, as well as the development of physics-informed machine learning such as physics-informed neural network (PINN). To establish preliminary knowledge and framework of such physics representation evaluation, this project focuses on an improved understanding of DL models in the environmental applications. DL models are increasingly applied to environmental modeling and prediction. However, they have been evaluated mostly from a performance perspective, and there is a gap in understanding how they represent the known physics internally. Such knowledge is especially critical when applying DL models under climate change conditions, where new inputs are likely outside the ranges of the training datasets. In this project, we reveal how the known physical processes are represented within DL models from both statistical and mechanistic perspectives. Leveraging the traditional model evaluations that focus more on the accuracies of predictions, we establish a framework that examines both the accuracy and physics representation of DL models. This analysis framework can identify DL models that make the correct predictions based on correct physics, thus enhancing the existing explainable artificial intelligence (explainable-AI) portfolio. It lays a foundation for developing novel metrics to evaluate the emerging DL models in environmental applications. This knowledge also informs the development of physics-informed DL models by revealing the direct connections between the known physical processes and specific model components or structures.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1997

An Accurate and Dynamic Computer Graphics Muscle Model

A computer based musculo-skeletal model was developed at the University in the departments of Mechanical and Biomedical Engineering. This model accurately represents human shoulder kinematics. The result of this model is the graphical display of bones moving through an appropriate range of motion based on inputs of EMGs and external forces. The need existed to incorporate a geometric muscle model in the larger musculo-skeletal model. Previous muscle models did not accurately represent muscle geometries, nor did they account for the kinematics of tendons. This thesis covers the creation of a new muscle model for use in the above musculo-skeletal model. This muscle model was based on anatomical data from the Visible Human Project (VHP) cadaver study. Two-dimensional digital images from the VHP were analyzed and reconstructed to recreate the three-dimensional muscle geometries. The recreated geometries were smoothed, reduced, and sliced to form data files defining the surfaces of each muscle. The muscle modeling function opened these files during run-time and recreated the muscle surface. The modeling function applied constant volume limitations to the muscle and constant geometry limitations to the tendons.

Levine, David Asher↗
NASA NTRS1997

Trends in Performance and Characteristics of Ultra-Stable Oscillators for Deep Space Radio Science Experiments

Telecommunication systems of spacecraft on deep space missions also function as instruments for Radio Science experiments. Radio scientists utilize the telecommunication links between spacecraft and Earth to examine very small changes in the phase/frequency, amplitude, and/or polarization of radio signals to investigate a host of physical phenomena in the solar system. Several missions augmented the radio communication system with an Ultra-Stable Oscillator (USO) in order to provide a highly stable reference signal for oneway downlink. This configuration is used in order to enable better investigations of the atmospheres of the planets occulting the line-of-sight to the spacecraft; one-way communication was required and the transponders' built-in auxiliary oscillators were neither sufficiently stable nor spectrally pure for the occultation experiments. Since Radio Science instrumentation is distributed between the spacecraft and the ground stations, the Deep Space Network (DSN) is also equipped to function as a world-class instrument for Radio Science research. For a detailed account of Radio Science experiments, methodology, key discoveries, and the DSN's historical contribution to the field, see Asmar and Renzetti (1993). The tools of Radio Science can be and have also been utilized in addressing several mission engineering challenges; e.g., characterization of spacecraft nutation and anomalous motion, antenna calibrations, and communications during surface landing phases. Since the first quartz USO was flown on Voyager, the technology has advanced significantly, affording future missions higher sensitivity in reconstructing the temperature pressure profiles of the atmospheres under study as well as other physical phenomena of interest to Radio Science. This paper surveys the trends in stability and spectral purity performance, design characteristics including size and mass, as well as cost and history of these clocks in space.

Asmar, Sami↗
DOE OSTI2019

Reconstruction and Selection Tools for Charged-Current Muon Neutrino Cross Sections in SBND

SBND Near detector for the Short-Baseline Neutrino program [1] searching for sterile neutrinos in the Booster Neutrino Beam. Data taking starts in 2020. Primary detector is a liquid argon time projection chamber with a central cathode and two drift regions (TPCs). Ionization caused by charged particles is drifted in a strong electric field and detected on wire planes. Readout triggered by the neutrino beam timing and the photon detector system (PDS). Equipped with a suite of cosmic ray taggers (CRTs) [2] surrounding the central detector. Cross-sections and backgrounds SBND will provide world leading neutrino-argon cross-sections with 7,000,000 neutrino events in three years. Charged-current muon neutrino interactions will be the most abundant. The detector is on the surface with a small overburden so there is a high flux of cosmic rays (mostly muons). Cosmic ray muons can be significant background because the electron drift velocity is slow. Reconstruction Charged deposited in the TPC is reconstructed into track and shower objects with calorimetry and interaction topology information [3]. Unambiguous cosmic rays are removed. Particle-CRT intersections are reconstructed as CRT hits, trajectories of through-going particles are reconstructed as CRT tracks. Cosmic background removal SBND will see 2-3 cosmic muon interactions in the TPC for every neutrino interaction after reconstruction and initial cosmic rejection. A number of selection cuts utilizing TPC, CRT and PDS information have been developed to further reduce this background. Particles in the detector before or after the trigger time will have a shifted reconstructed X-position, most rejection methods involve finding the true crossing time (t0).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Interface Reconstruction from Ruddlesden–Popper Structures Impacts Stability in Lead Halide Perovskite Solar Cells

The impact of the bulky-cation-modified interfaces on halide perovskite solar cell stability is underexplored. Here, in this work, the thermal instability of the bulky-cation interface layers used in the state-of-the-art solar cells is demonstrated. X-ray photoelectron spectroscopy and synchrotron-based grazing-incidence X-ray scattering measurements reveal significant changes in the chemical composition and structure at the surface of these films that occur under thermal stress. The changes impact charge-carrier dynamics and device operation, as shown in transient photoluminescence, excitation correlation spectroscopy, and solar cells. The type of cation used for surface treatment affects the extent of these changes, where long carbon chains provide more stable interfaces. These results highlight that prolonged annealing of the treated interfaces is critical to enable reliable reporting of performances and to drive the selection of different bulky cations.

36 MATERIALS SCIENCE↗
NASA NTRS2011

The Structure of Titan's Atmosphere from Cassini Radio Occultations

We present results from the two radio occultations of the Cassini spacecraft by Titan in 2006, which probed mid-southern latitudes. Three of the ingress and egress soundings occurred within a narrow latitude range, 31.34 deg S near the surface, and the fourth at 52.8 deg S. Temperature - altitude profiles for all four occultation soundings are presented, and compared with the results of the Voyager 1 radio occultation (Lindal et al., 1983), the HASI instrument on the Huygens descent probe (Fulchignoni et al., 2005), and Cassini CIRS results (Flasar et al., 2005; Achterberg et al., 2008b). Sources of error in the retrieved temperature - altitude profiles are also discussed, and a major contribution is from spacecraft velocity errors in the reconstructed ephemeris. These can be reduced by using CIRS data at 300 km to make along-track adjustments of the spacecraft timing. The occultation soundings indicate that the temperatures just above the surface at 31-34 deg S are about 93 K, while that at 53 deg S is about 1 K colder. At the tropopause, the temperatures at the lower latitudes are all about 70 K, while the 53 deg S profile is again 1 K colder. The temperature lapse rate in the lowest 2 km for the two ingress (dawn) profiles at 31 and 33 deg S lie along a dry adiabat except within approximately 200m of the surface, where a small stable inversion occurs. This could be explained by turbulent mixing with low viscosity near the surface. The egress profile near 34 deg S shows a more complex structure in the lowest 2 km, while the egress profile at 53 deg S is more stable.

Schinder, Paul J.↗
NASA NTRS1993

The dregs of crystallization in Zagami

The Zagami shergottite is a basaltic meteorite which formed when a phenocryst-bearing lava flow was emplaced at or near the surface of Mars. Recently, a cm-sized olivine-rich lithology has been identified in Zagami by Mossbauer spectroscopy. Olivine is extremely rare in shergottites, particularly in Zagami and Shergotty, where it occurs only as minute grains. We report petrologic and microprobe studies of this olivine-rich lithology. This material represents the last few percent of melt and is highly enriched in phosphates, opaques and mesostases, all of which are late-stage crystallization products. Phosphates replaced augite as a phenocryst phase when the magma became saturated in P. This late stage melt also includes a fayalite-bearing, multi-phase intergrowth which crystallized after the melt became too rich in iron to crystallize pigeonite. We can now reconstruct the entire crystallization history of the Zagami shergottite from a deep-seated magma chamber to crystallization of the final few percent of melt in a near-surface dike or thick flow. Small pockets (tens of microns) of late-stage melt pockets are ubiquitous but volumetrically minor in Zagami. We do not know the physical relationship between these areas and the cm-sized olivine-rich material described here. It is possible that these small pockets were mobile, forming larger areas. Perhaps inspection of the entire hand specimen of Zagami would clarify this relationship.

Mccoy, T. J.↗
DOE OSTI2022

Registration and fusion of large-scale melt pool temperature and morphology monitoring data demonstrated for surface topography prediction in LPBF

In-situ monitoring technologies for laser powder bed fusion (LPBF) additive manufacturing often face one key challenge, extracting the ultrafast melt pool (MP) signatures for understanding the localized part properties. Further, the spatial information of each monitored MP signature is essential for correlating the MP – part property. This spatial information is often unavailable especially from commercial LPBF printers. Many MP monitoring methods have been reported and utilized. However, very few of these have the MP’s spatial information. To overcome this challenge, in this work we report a method for spatially registering the key MP signatures (MP intensity, temperature, and area) to the monitored print parts. The MP signatures are obtained from our coaxial high-speed single-camera based two-wavelength imaging pyrometry (STWIP) system and the MP spatial information is obtained from an off-axis camera system. A machine learning aided image analysis method is employed to retrieve the spatial distribution of MPs within the corresponding part’s coordinates system. Then, the MP signature maps (MPSMs) are reconstructed by mapping the STWIP measured MP signatures to the registered MP coordinates. Further, a long short-term memory (LSTM) neural network is developed for estimating the layer surface topography from the registered MPSMs. The obtained results indicate that the layer surface topography can be more accurately estimated by using MP temperature signature rather than MP intensity and/or area signatures as in common practice. Finally, our developed methods for MP monitoring, registration, and MP-surface topography prediction offer advanced capabilities for the online detection of process anomalies and part defects.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Modeling of resistive plasma response in toroidal geometry using an asymptotic matching approach

The method of solving linear resistive plasma response, based on the asymptotic matching approach, is developed for full toroidal tokamaks by upgrading the Resistive DCON code [A.H. Glasser, Z.R. Wang and J.-K. Park, Physics of Plasmas, \textbf{23}, 112506 (2016)]. The derived matching matrix, asymptotically matching the outer and inner regions, indicates that the applied three dimension (3-D) magnetic perturbations contribute additional small solutions at each resonant surface due to the toroidal coupling of poloidal modes. In contrast, the resonant harmonic only affects the corresponding resonant surface in the cylindrical plasma. Since the solution of ideal outer region is critical to the asymptotic matching and is challenging to be solved in the toroidal geometry due to the singular power series solution at the resonant surfaces, systematic verification of the outer region $\Delta^\prime$ matrix is made by reproducing the well known analytical $\Delta^{\prime}$ result in [H.P. Furth, P.H. Rutherford and H. Selberg, The Physics of Fluids, \textbf{16}, 1054-1063 (1073)] as well as by making a quantitative benchmark with the PEST3 code [A. Pletzer and R.L. Dewar, J. Plasma Physics, \textbf{45}, 427-451 (1991)]. Finally, the reconstructed numerical solution of resistive plasma response from the toroidal matching matrix is presented. Comparing with the ideal plasma response, the global structure of the response can be affected by the small finite island at the resonant surfaces.

MHD simulation↗
DOE OSTI2016

THE GINI COEFFICIENT AS A MORPHOLOGICAL MEASUREMENT OF STRONGLY LENSED GALAXIES IN THE IMAGE PLANE

Characterization of the morphology of strongly lensed galaxies is challenging because images of such galaxies are typically highly distorted. Lens modeling and source plane reconstruction is one approach that can provide reasonably undistorted images from which morphological measurements can be made, though at the expense of a highly spatially variable telescope point-spread function (PSF) when mapped back to the source plane. Unfortunately, modeling the lensing mass is a time- and resource-intensive process, and in many cases there are too few constraints to precisely model the lensing mass. If, however, useful morphological measurements could be made in the image plane rather than the source plane, it would bypass this issue and obviate the need for a source reconstruction process for some applications. We examine the use of the Gini coefficient as one such measurement. Because it depends on the cumulative distribution of the light of a galaxy, but not the relative spatial positions, the fact that surface brightness is conserved by lensing means that the Gini coefficient may be well preserved by strong gravitational lensing. Through simulations, we test the extent to which the Gini coefficient is conserved, including by effects due to PSF convolution and pixelization, to determine whether it is invariant enough under lensing to be used as a measurement of galaxy morphology that can be made in the image plane.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Capturing chemical intuition in synthesis of metal-organic frameworks

We report a methodology using machine learning to capture chemical intuition from a set of (partially) failed attempts to synthesize a metal-organic framework. We define chemical intuition as the collection of unwritten guidelines used by synthetic chemists to find the right synthesis conditions. As (partially) failed experiments usually remain unreported, we have reconstructed a typical track of failed experiments in a successful search for finding the optimal synthesis conditions that yields HKUST-1 with the highest surface area reported to date. We illustrate the importance of quantifying this chemical intuition for the synthesis of novel materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Models of resistive wall tearing mode disruptions

Disruptions are a serious issue in tokamaks. In a disruption, the thermal energy is lost by means of an instability which could be a resistive wall tearing mode (RWTM). During precursors to a disruption, the plasma edge region cools, causing the current to contract. Model sequences of contracted current equilibria are given, and their stability is calculated. A linear stability study shows that there is a maximum value of edge q a ≈ 3 for RWTMs to occur. Further, this also implies a minimum rational surface radius normalized to plasma radius from RWTMs to be unstable. Nonlinear simulations are performed using a similar model sequence derived from an equilibrium reconstruction. There is a striking difference in the results, depending on whether the wall is ideal or resistive. With an ideal wall, the perturbations saturate at moderate amplitude, causing a minor disruption without a thermal quench. With a resistive wall, there is a major disruption with a thermal quench, if the edge q a ≤ 3. There is a sharp transition in nonlinear behavior at q a = 3. This is consistent with the linear model and with experiments. If disruptions are caused by RWTMs, then devices with highly conducting walls, such as the International Tokamak Experimental Reactor will experience much milder, tolerable, disruptions than presently predicted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1985

Operational life improvement of SSME high-pressure turbopumps

The current Space Shuttle Main Engine (SSME) Phase I engine demonstrated excellent flight performance but showed limited operational life of the high-pressure fuel turbopumps (HPFTP). Design improvements, supporting analyses, and test results of the SSME Phase II development program are presented. The HPFTP improvements include reduction of turbine operating temperature by 110 to 130 R by reconstructing the seals and the flow contours; modifications of the first- and second-stage turbine blades by recontouring the shank, shotpeening the shank surface, and applying a multilayered, plasma-spray coating to the shank on the downstream side to reduce the effect of the disk coolant; and reduction of the tendency for thermal cracks in the turbine by changing weld configuration to avoid the concentration of stresses in local areas. The high-pressure oxidizer turbopump has been also modified to improve bearing life and to eliminate subsynchronous whirl.

Hale, J. R.↗