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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Magnetic imaging and statistical analysis of the metamagnetic phase transition of FeRh with electron spins in diamond

Magnetic imaging based on nitrogen-vacancy (NV) centers in diamond has emerged as a powerful tool for probing magnetic phenomena in fields ranging from biology to physics. A key strength of NV sensing is its local-probe nature, enabling high-resolution spatial images of magnetic stray fields emanating from a sample. However, this local character can also form a drawback for analyzing the global properties of a system, such as a phase transition temperature. Here, we address this challenge by using statistical analyses of magnetic-field maps to characterize the first-order temperature-driven metamagnetic phase transition from the antiferromagnetic to the ferromagnetic state in FeRh. After imaging the phase transition and identifying the regimes of nucleation, growth, and coalescence of ferromagnetic domains, we statistically characterize the spatial magnetic-field maps to extract the transition temperature and thermal hysteresis width. By analyzing the spatial correlations of the maps in relation to the magnetocrystalline anisotropy and external magnetic field, we detect a reorientation of domain walls across the phase transition. The employed statistical approach can be extended to the study of other magnetic phenomena with NV magnetometry or other sensing techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

An efficient protocol for excited states of large biochromophores

Efficient energy transport in photosynthetic antenna is a long-standing source of inspiration for artificial light harvesting materials. However, characterizing the excited states of the constituent chromophores poses a considerable challenge to mainstream quantum chemical and semiempirical excited state methods due to their size and complexity and the accuracy required to describe small but functionally important changes in their properties. In this paper, we explore an alternative approach to calculating the excited states of large biochromophores, exemplified by a specific method for calculating the Q y transition of bacteriochlorophyll a, which we name Chl-xTB. Using a diagonally dominant approximation to the Casida equation and a bespoke parameterization scheme, Chl-xTB can match time-dependent density functional theory’s accuracy and semiempirical speed for calculating the potential energy surfaces and absorption spectra of chlorophylls. We demonstrate that Chl-xTB (and other prospective realizations of our protocol) can be integrated into multiscale models, including concurrent excitonic and point-charge embedding frameworks, enabling the analysis of biochromophore networks in a native environment. We exploit this capability to probe the low-frequency spectral densities of excitonic energies and interchromophore interactions in the light harvesting antenna protein LH2 (light harvesting complex 2). The impact of low-frequency protein motion on interchromophore coupling and exciton transport has routinely been ignored due to the prohibitive costs of including it in simulations. Our results provide a more rigorous basis for continued use of this approximation by demonstrating that exciton transition energies are unaffected by low-frequency vibrational coupling to exciton interaction energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Proximity-induced collective modes in an unconventional superconductor heterostructure

Unconventional superconductors have been long sought for their potential applications in quantum technologies and devices. A key challenge impeding this effort is the difficulty associated with probing and characterizing candidate materials and establishing their order parameter. Here we present a platform that allows one to spectroscopically probe unconventional superconductivity in thin-layer materials via the proximity effect. Here we show that inducing an s-wave gap in a sample with an intrinsic d-wave instability leads to the formation of bound states of quasiparticle pairs, which manifest as a collective mode in the d-wave channel. This finding provides a way to study the underlying pairing interactions vicariously through the collective mode spectrum of the system. Upon further cooling of the system we observe that this mode softens considerably and may even condense, signaling the onset of time-reversal symmetry-breaking superconductivity. Therefore, our proposal also allows for the creation and study of these elusive unconventional states.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Constrained GAN-Generated X-Ray CT Data For Self-Supervised And Foundation-Model Segmentation Of Concrete Microstructures

Three-dimensional characterization of materials using X-ray computed tomography (XCT) is challenging due to the complexity of internal structures, noise, and variations in resolution. Traditional computer vision models often struggle to accurately segment these images, particularly in domain-specific applications like materials science. While supervised deep learning approaches have been developed to address the limitations of conventional algorithms, they typically require large amounts of labeled training data and often fail to generalize across different datasets. Self-supervised, few-and zero-shot learning methods have gained prominence in natural image processing and segmentation tasks, but their application to scientific imaging remains limited due to the unique structural complexity, noise, and textural artifacts present in materials science data. In this work, we investigate how domain adaptation, leveraging physics-based and GAN-generated synthetic data, impacts segmentation performance. We introduce a modified Contrastive Unpaired Translation (CUT) model designed to generate realistic labeled data, which can be used for training, pre-training, and fine-tuning segmentation models for real XCT microstructure data. We evaluate the performance of two segmentation approaches: a self-supervised network (SSL-ALPNet) and a foundation model (Segment Anything Model), assessing their improvements when pre-trained and/or fine-tuned on the synthesized data. Our results demonstrate that leveraging synthetic data significantly enhances segmentation performance, particularly in challenging materials science applications.

Ziabari, Amir [ORNL] (ORCID:000000034776457X)↗
DOE OSTI2021

Applications of analytical electron microscopy to guide the design of boron carbide

Compositional analysis of boron carbide on nanometer length scales to examine or interpret atomic mechanisms, for example, solid-state amorphization or grain-boundary segregation, is challenging. This work reviews advancements in high-resolution microanalysis to characterize multiple generations of boron carbide. First, ζ-factor microanalysis will be introduced as a powerful (scanning) transmission electron microscopy ((S)TEM) analytical framework to accurately characterize boron carbide. Three case studies involving the application of ζ-factor microanalysis will then be presented: (1) accurate stoichiometry determination of B-doped boron carbide using ζ-factor microanalysis and electron energy loss spectroscopy, (2) normalized quantification of silicon grain-boundary segregation in Si-doped boron carbide, and (3) calibration of a scanning electron microscope X-ray energy-dispersive spectroscopy (XEDS) system to measure compositional homogeneity differences of B/Si-doped arc-melted boron carbides in the as-melted and annealed conditions. Overall, the improvement and application of advanced analytical tools have helped better understand processing–microstructure–property relationships and successfully manufacture high-performance ceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High pressure–derived nonsymmetrical [Cu 2 O] 2+ core for room-temperature methane hydroxylation

Nonsymmetrical oxygen-bridged binuclear copper centers have been proposed and modeled as intermediates and transition states in several C–H oxidation pathways, leading to the postulation that structural dissymmetry enhances the reactivity of the bridging oxygen. However, experimentally characterizing the structure and reactivity of these transient species is remarkably challenging. Here, we report the high-pressure synthesis of a metastable nonsymmetrical dicopper-μ-oxo compound with exceptional reactivity toward the mono-oxygenation of aliphatic C–H bonds. The nonequivalent coordination environment of copper stabilizes localized mixed valency and greatly enhances the hydrogen atom abstraction activity of the bridging oxygen, enabling room-temperature hydroxylation of methane under pressure. These findings highlight the role of dissymmetry in the reactivity of binuclear copper centers and demonstrate precise control of molecular structures by mechanical means.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Experimental and Computational Analysis of NEAMS Pebble Bed Reactors

The Advanced High-Temperature Pebble Bed Reactor concept leverages a particle-based fuel format consisting of discrete spherical graphite pebbles arrayed in a packed bed architecture. Thermal regulation achieved via flow of gas (e.g., helium) or liquid (e.g., molten salt) coolants through the void spaces between pebbles in the bed (characteristic pebble diameters: ~ 6 cm, gas cooled; ~ 3 cm, liquid cooled). This design is of interest owing to inherent advantages including passive safety features and highly efficient heat transfer characteristics that enable high power densities to be achieved. Fully leveraging these advantages requires a fundamental understanding of the complex coolant flow structure within the pebble-shaped fuel bed. Unfortunately, complexities associated with non-invasively probing the micro-scale flow phenomena within the complex network of void spaces between pebbles have hindered efforts to characterize the underlying transport phenomena. Without this fundamental foundation, it becomes challenging to rationally construct macroscopic transport models based upon volume averages of micro-scale parameters that accurately capture the observed flow behavior. Consequently, this lack of fundamental knowledge has limited previous work to coarse comparisons between theory and extremely limited experimental data. Moreover, these comparisons have been made only in terms of integral or macroscopic results. Therefore, multipoint measurements with a high level of spatial and temporal resolution are critically needed to fully map the complex flow patterns and to provide data at high spatial density to permit accurate volume averaging in the pebble bed. For this project, we performed a coordinated experimental and computational effort to quantitatively map the full-field velocity and temperature fields in the interstitial spaces within the pebble bed. The major accomplishments of this project included the important knowledge acquired for the flow mixing and heat transfer in the interstitial pore scales, the effects of flow mixing in the near-wall and far-wall regions, and the by-pass flows of pebble bed systems. The produced high-resolution experimental data (not broadly available in existing literature) were then used for the numerical studies enabling the refinement and validation of standard simulation tools (Nek5000).

42 ENGINEERING↗
DOE OSTI2021

Dynamics of Product Branching from Radical Intermediates in Elementary Combustion Reactions (Final Technical Report)

While the total rate constant for many elementary reactions is well-characterized, understanding the product branching in complex reactions presents a formidable challenge. To gain an incisive probe of such reactions, our experiments investigate the dynamics of the product channels that arise from transient radical intermediates along the bimolecular reaction coordinates. Our recent published work uses the methodology developed in my group in the last fifteen years, using both imaging and scattering apparatuses. The experiments generate a particular isomeric form of an unstable radical intermediate along a bimolecular reaction coordinate and study the branching between the ensuing product channels of the energized radical as a function of its internal rotational and vibrational energy under collision-less conditions. The experiments use a combination of: 1) measurement of product velocity and angular distributions in a crossed laser-molecular beam apparatus, with electron bombardment detection in my lab in Chicago or 2) with tunable vacuum ultraviolet photoionization detection at Taiwan's National Synchrotron Radiation Research Center (NSRRC), and 3) velocity map imaging using state-selective REMPI and single photon VUV ionization of radical intermediates and reaction products. We also employ tunable VUV photoionization detection in our imaging apparatus, using difference frequency four-wave mixing to produce photoionization light tunable from 8 to 10.8 eV. This year of support funded our work to photolytically generate the radical intermediate important in the OH + propene reaction when OH adds to an end carbon. Our other major result this past year was on the photoionization detection of vinoxy radicals. Our experiments at the NSRRC definitively show that vinoxy dissociatively ionizes to both CH 3 + and HCO + , and establishes the absolute partial photoionization cross section of vinoxy to CH 3 + at 10.5 and 11.44 eV. This should allow experimentalists detecting vinoxy radicals produced in bimolecular reactions such as OH + propene to get good branching fractions to that product channel. Finally we initiated studies of the photodissociation of 1-bromo-2-chloroethane and 1,1-bromochloroethane at 193 nm at the NSRRC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Abstract for CRADA between National Energy Technology Laboratory and TOPTICA Photonics, Inc.

The National Energy Technology Laboratory (NETL) and Toptica Photonics (Participant) will collaborate to demonstrate the application of a frequency-comb laser (dual-comb spectroscopy) in an optically accessible rotating detonation engine (RDE). RDEs are a next-generation energy conversion technology which are well-suited to hydrogen usage and have the potential to significantly increase the efficiency of gas turbine engine power cycles. However, critical information is needed about the high temperature and pressure detonation wave, which represents an extremely challenging diagnostic environment. Dual-comb spectroscopy can be used to characterize the pressure-broadened IR absorption features at MHz rates, providing information not possible with conventional tunable diode laser (TDL) technologies. This collaboration will, for the first time, demonstrate application of dual-comb spectroscopy within the combustion annulus of a hydrogen-air RDE. If successful, the data generated will help to accelerate commercialization of RDE technologies in support of decarbonizing our nation’s energy sector.

08 HYDROGEN↗
DOE OSTI2024

DMTN-221: Periodicity Analysis in Alert Production

The baselined timeseries features to be computed in Alert Production include a Lomb-Scargle periodogram ran on two classes of variable systems: RR Lyrae and Eclipsing Binaries. Based on a simulated LSST-like cadence light curves taken from the Extended LSST Astronomical Time-series Classification Challenge (ELAsTiCC) we perform an end-to-end test to characterize the periodicity recovery on the Alert Production multi-band light curves. In both variable classes, we found that a single-band Lomb-Scargle implementation yields to a low fraction of recovered periods, with a significant preference on the simple periodic phenomena such as RR Lyrae. We also investigated the results from a multi-band Lomb-Scargle and found an increased fraction of recovered periodicities above 15% for the eclipsing binaries, and over 80$\%$ for the RR Lyrae stars. Our findings suggest that a multi-band Lomb-Scargle should be implemented for searching periodic phenomena through AP. We also asses the computational and scientific performance of several configurations on simulated alert data and find that our current configuration scales linearly with the number of detections while assuming an heuristic frequency grid.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

Nonlinear shell analyses of the space shuttle solid rocket boosters

A variety of structural analyses have been performed on the Solid Rocket Boosters (SRB's) to provide information that would contribute to the understanding of the failure which destroyed the Space Shuttle Challenger. This paper describes nonlinear shell analyses that were performed to characterize the behavior of an overall SRB structure and a segment of the SRB in the vicinity of the External Tank Attachment (ETA) ring. Shell finite element models were used that would accurately reflect the global load transfer in an SRB in a manner such that nonlinear shell collapse and ovalization could be assessed. The purpose of these analyses was to calculate the overall deflection and stress distributions for these SRB models when subjected to mechanical loads corresponding to critical times during the launch sequence. Static analyses of these SRB models were performed using a snapshot picture of the loads. Analytical results obtained using these models show no evidence of nonlinear shell collapse for the pre-liftoff loading cases considered.

Knight, Norman F., Jr.↗
NASA NTRS1989

Experience with advanced instrumentation in a hot section cascade

The Lewis Research Center gas turbine Hot Section Test Facility was developed to provide a real engine environment with known boundary conditions for the aerothermal performance evaluation and verification of computer design codes. This verification process requires experimental measurements in a hostile environment. The research instruments used in this facility are presented, and their characteristics and how they perform in this environment are discussed. The research instrumentation consisted of conventional pressure and temperature sensors, as well as thin-film thermocouples and heat flux gages. The hot gas temperature was measured by an aspirated temperature probe and by a dual-element, fast-response temperature probe. The data acquisition mode was both steady state and time dependent. These experiments were conducted over a wide range of gas Reynolds numbers, exit gas Mach numbers, and heat flux levels. This facility was capable of testing at temperatures up to 1600 K, and at pressures up to 18 atm. These corresponded to an airfoil exit Reynolds number range of 0.5 x 10(6) to 2.5 x 10(6) based on the airfoil chord of 5.55 cm. The results characterize the performance capability and the durability of the instrumentation. The challenge of making measurements in hostile environments is also discussed. The instruments exhibited more than adequate durability to achieve the measurement profile. About 70 percent of the thin-film thermocouples and the dual-element temperature probe survived several hundred thermal cycles and more than 35 hr at gas temperatures up to 1600 K. Within the experimental uncertainty, the steady-state and transient heat flux measurements were comparable and consistent over the range of Reynolds numbers tested.

Yeh, Frederick C.↗
NASA NTRS1990

Nonlinear shell analysis of the Space Shuttle Solid Rocket Boosters

A variety of structural analyses have been performed on the Solid Rocket Boosters (SRB's) to provide information that would contribute to the understanding of the failure which destroyed the Space Shuttle Challenger. This paper describes nonlinear shell analyses that were performed to characterize the behavior of an overall SRB structure and a segment of the SRB in the vicinity of the External Tank Attachment (ETA) ring. Shell finite element models were used that would accurately reflect the global load transfer in an SRB in a manner such that nonlinear shell collapse and ovalization could be assessed. The purpose of these analyses was to calculate the overall deflection and stress distributions for these SRB models when subjected to mechanical loads corresponding to critical times during the launch sequence. Static analyses of these SRB models were performed using a 'snapshot picture' of the loads. Analytical results obtained using these models show no evidence of nonlinear shell collapse for the pre-liftoff loading cases considered.

Knight, N. F., Jr.↗
NASA NTRS1992

Determination of organic carbon and ionic accountability of various waste and product waters derived from ECLSS water recovery tests and Spacelab humidity condensate

The development of a closed-loop water recovery system for Space Station Freedom involves many technical challenges associated with contaminant removal. Attention is presently given to the characterization of contaminants constituting total organic carbon (TOC), and to the Hubaux and Vos (1970) statistical model for low level TOC that has been employed. A tabulation is given for TOC accountability in the case of both potable and hygiene waters.

Carter, Donald L.↗
NASA NTRS1994

Reduction procedures for accurate analysis of MSX surveillance experiment data

Technical challenges of the Midcourse Space Experiment (MSX) science instruments require careful characterization and calibration of these sensors for analysis of surveillance experiment data. Procedures for reduction of Resident Space Object (RSO) detections will be presented which include refinement and calibration of the metric and radiometric (and photometric) data and calculation of a precise MSX ephemeris. Examples will be given which support the reduction, and these are taken from ground-test data similar in characteristics to the MSX sensors and from the IRAS satellite RSO detections. Examples to demonstrate the calculation of a precise ephemeris will be provided from satellites in similar orbits which are equipped with S-band transponders.

Gaposchkin, E. Mike↗
NASA NTRS1995

Accuracy of wet troposphere radio path delay estimated from infrared emission

Several radio science applications require determination of the excess radio-propagation path delay caused by the Earth's atmosphere. These include very long baseline interferometry, spacecraft tracking, and potentially, detection of gravitational waves utilizing a link to a distant interplanetary spacecraft. At Ka band, the major source of variability of path delay is the fluctuations in the moisture content of the troposphere. The path delay characterization requirements for a planned gravitational wave experiment are novel and challenging. the error contribution to the phase observations due to path delay variation must be reduced by nearly two orders of magnitude over that occurring naturally on time scales of 100 to 10,000 seconds. Current approaches relying on microwave water vapor radiometry with ancillary data can deliver one order of magnitude calibration of these fluctuations, and more advanced systems are under development within the 2001-2002 time frame of the Cassini Mission to Saturn. The current work evaluates the potential for an alternative observational approach, using a ground-based Fourier transform spectrometer.

Parker, J. W.↗
NASA NTRS2004

Satellite Instrument Calibration for Measuring Global Climate Change. Report of a Workshop at the University of Maryland Inn and Conference Center, College Park, MD. , November 12-14, 2002

Measuring the small changes associated with long-term global climate change from space is a daunting task. To address these problems and recommend directions for improvements in satellite instrument calibration some 75 scientists, including researchers who develop and analyze long-term data sets from satellites, experts in the field of satellite instrument calibration, and physicists working on state of the art calibration sources and standards met November 12 - 14, 2002 and discussed the issues. The workshop defined the absolute accuracies and long-term stabilities of global climate data sets that are needed to detect expected trends, translated these data set accuracies and stabilities to required satellite instrument accuracies and stabilities, and evaluated the ability of current observing systems to meet these requirements. The workshop's recommendations include a set of basic axioms or overarching principles that must guide high quality climate observations in general, and a roadmap for improving satellite instrument characterization, calibration, inter-calibration, and associated activities to meet the challenge of measuring global climate change. It is also recommended that a follow-up workshop be conducted to discuss implementation of the roadmap developed at this workshop.

NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY (NI↗
NASA NTRS2001

Optical metrology for testing an all-composite 2-meter diameter mirror

The Herschel Space Observatory (formerly known as FIRST) consists of a 3.5 m space telescope designed for use in the long IR and sub-milimeter wavebands. To demonstrate the viability of a carbon fiber composite telescope for this application, Composite Optics Incorporated (COI) manufactured a fast (f/1), large (2 m), lightweight (10.1 kg/m squared) demonstration mirror. A key challenge in demonstrating the performance of this novel mirror was to characterize the surface accuracy at cryogenic (70 K) temperatures. A wide variety of optical metrology techniques were investigated and a brief survey of empirical test results and limitations of the various techniques will be presented in this paper. Two complementary infrared (IR)techniques operating at a wavelength of 10.6 microns were chosen for further development: (1) IR Twyman-Green Phase Shifting Interferometry (IR PSI) and (2) IR Shack-Hartmann (IR SH) Wavefront Sensing. Innovative design modifications made to an existing IR PSI to achieve high-resolution, scannable, infrared measurements of the composite mirror are described. The modified interferometer was capable of measuring surface gradients larger than 350 microradians. The design and results of measurements made with a custom-built IR SH Wavefrong Sensor operating at 10.6 microns are also presented. A compact experimental setup permitting simultaneous operation of both the IR PSI and IR SH tools is shown. The advantages and the limitations of the two key IR metrology tools are discussed.

IR metrology phase shifting interferometry Shack-H↗