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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Considerations for Femtosecond Laser Electronic Excitation Tagging in High-Speed Flows

Femtosecond laser electronic excitation tagging (FLEET) is an unseeded method for molecular tagging which offers valuable opportunities for measurement of high-speed (transonic, supersonic or hypersonic) flows. The unique nature of high-speed testing demands certain performance from FLEET such as satisfactory signal-to-noise ratio (SNR) at depressed static conditions (i.e., low temperatures, pressures and densities), wide dynamic range for velocity determination (especially single-shot), and measurements with acceptable accuracy and precision. This dissertation strives to evaluate FLEET in those regards and provide strategies to maximize the method's capabilities. A zero-dimensional kinetics model in nitrogen explains FLEET signal changes with pressure/density and/or temperature in terms of plasma-chemical reactions. Poorly known rate coefficients are tuned by comparing model output to measurements, with temporal agreement up to several hundred nanoseconds. Modeling reveals that initial signal peaks at reduced density because of slowed temporal evolution (and decay) of excited populations. Low temperatures enhance signal by enlarging cluster ion populations which contribute to excited species via electron-ion dissociative recombination. A purpose-built free jet facility provides experimental validation of the kinetics model and assesses FLEET velocimetry in low temperature and pressure/density conditions. Signal, lifetime, accuracy and precision results are obtained from unheated subsonic through Mach 4.0 operation of the facility, with best results noted. FLEET measurements of a sweeping jet (SWJ) actuator in compressible operation showcase its advantages in a highly unsteady jet containing subsonic through supersonic velocities. FLEET velocimetry is performed in the device's internal and external flow fields, with the latter compared to hot-wire anemometry. Internal measurements reveal the absence of shockwaves theorized to occur at high pressure ratios. Simultaneous qualitative measurements of compressible jet mixing are shown as a proof-of-concept. Overall, the work demonstrates that previous understanding of SWJ incompressible operation readily extends into the compressible realm. Practical aspects of performing FLEET velocimetry are detailed, along with strategies for improving measurement quality. Determination of a fundamental precision in nitrogen and air is attempted. Experiments show that increasing time delay and/or SNR improves velocimetry precision. A comparison of five camera systems indicates sensors with larger pixels capture higher SNR data and produce more precise results.

FLEET↗
DOE OSTI2024

One-dimensional temperature measurement of supersonic jet flow by resonantly ionized photoemission thermometry of molecular nitrogen

As the field of fluid dynamics progresses, the demand for sophisticated diagnostic methods to accurately assess flow conditions rises. In this work, resonantly ionized photoemission thermometry (RIPT) has been used to directly target and ionize diatomic nitrogen (N 2 ) to measure one-dimensional (1D) temperature profiles in a supersonic jet flow. This technique can be considered non-intrusive as the premise uses resonantly enhanced multiphoton ionization (REMPI) to target molecular nitrogen. This resonance excites N 2 into absorption bands of the P, Q, and R rotational branches of N 2 ( b 1 Π u ). The ideal (3 + 1) REMPI scheme excites from the ground state and ionizes N 2 ( b 1 Π u ← X 1 Σ g + ) where de-excitation results in photoemission from the first negative band of ionized N 2 + ( B 2 Σ u + → X 2 Σ g + ) as nitrogen returns to the ground state. The resulting emission can be observed using an intensified camera, thus permitting inference of the rotational temperature of ground-state molecular nitrogen. A linearly regressive Boltzmann distribution is applied based on previous calibration data for this technique to quantify the temperature along the ionized line. This work applies this technique to a pure N 2 supersonic jet in cross-flow and counter-flow orientations to demonstrate N 2 RIPT’s applications in a supersonic flow. Temperature variations are observed at different locations downstream of the exit in cross-flow, and axisymmetric in counter-flow, to generate profiles characterizing the flow dynamics. Due to the collisional effects resulting from the number density of N 2 at higher pressures, a (3 + 2) REMPI scheme is observed throughout this text.

Clark, Aleksander (ORCID:0009000855600042)↗
DOE OSTI2023

Theory and Simulation of Ultrafast Multidimensional Nonlinear X-ray Spectroscopy of Molecules (Final Report)

Emerging X-ray free electron laser (XFEL) beam sources offer new types of probes of matter with unprecedented spatial and temporal resolutions. These experimental advances must be met by robust theoretical and computational tools that provide predictive modeling capacity of the underlining electronic and structural dynamics. The latter will be essential for the design of sophisticated multi-pulse experiments and for their interpretation. The proposed research effort will focus on developing cutting- edge simulation tools for nonlinear multidimensional X-ray/optical spectroscopies and aims to address key questions in Priority Research Opportunities 1 (Probing and controlling electron motion within a molecule) and 3 (Capturing rare events and intermediate states in the transformation of matter) as mentioned in the BES Roundtable Report “Opportunities for Basic Research at the Frontiers of XFEL Ultrafast Science”. XFEL multidimensional nonlinear techniques, which combine sequences of X-ray and possibly optical pulses, provide a unique experimental toolbox for probing the dynamics of core and valence electronic excitations, as well as material structure. Predictive modeling of these dynamical processes requires the combination of analytical theory for nonlinear interactions of light and matter, robust quantum-chemical methodologies for the accurate description of electronic structure of various materials, and multiscale ab initio electron and nuclear dynamics techniques operating beyond Born-Oppenheimer approximation. These challenges will be addressed with three research thrusts (i) Develop and implement theoretical apparatus for modeling a broad range of multidimensional spectroscopic techniques enabled by present and upcoming XFEL facilities. This thrust also includes the incorporation of a computational module in the DOE supported open-source NWChem computational chemistry package as well as the development of other open-source codes ready for dissemination across a broad user base; (ii) Propose and design new multi-pulse experiments that make use of the capabilities of the incoming LCLS-II facility; (iii) Perform selected applications to specific molecular systems that can be carried out at LCLS-II and demonstrate how these X-ray sources may be used to study nonadiabatic dynamics through conical interactions, electronic correlations in multi-core excitons, and charge transfer/energy transfer processes. The proposed research will be carried out by a multi-disciplinary four-institution research team which combines academia and national laboratories and spans the broad and necessary expertise in theoretical spectroscopy, nonlinear optics, quantum chemistry, molecular non-adiabatic dynamics and code development. The work will be performed in a highly interactive team environment with junior researchers shared between institutions thus cementing cross- disciplinary interactions. The developed simulation tools will be immediately deployed for XFEL facility users, both experimentalists and theorists, via freely distributed codes and databases. Altogether, this project will facilitate establishing XFEL-based multidimensional spectroscopies as a novel diagnostic tool for monitoring electronic and structural dynamics in molecular materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1972

Inversion of radiation data in biophysics

Topics in biophysics are summarized in which radiation data inversion problems occur. The topics fall into two main categories. The first relates to information acquired about the distance environment through seeing, hearing, etc. The second relates to the use of electromagnetic, acoustic, or other radiation for diagnostic purposes, either at a bulk or a molecular level.

Twersky, V.↗
NASA NTRS1999

Diagnostic for Plasma Enhanced Chemical Vapor Deposition and Etch Systems

In order to meet NASA's requirements for the rapid development and validation of future generation electronic devices as well as associated materials and processes, enabling technologies ion the processing of semiconductor materials arising from understanding etch chemistries are being developed through a research collaboration between Stanford University and NASA-Ames Research Center, Although a great deal of laboratory-scale research has been performed on many of materials processing plasmas, little is known about the gas-phase and surface chemical reactions that are critical in many etch and deposition processes, and how these reactions are influenced by the variation in operating conditions. In addition, many plasma-based processes suffer from stability and reliability problems leading to a compromise in performance and a potentially increased cost for the semiconductor manufacturing industry. Such a lack of understanding has hindered the development of process models that can aid in the scaling and improvement of plasma etch and deposition systems. The research described involves the study of plasmas used in semiconductor processes. An inductively coupled plasma (ICP) source in place of the standard upper electrode assembly of the Gaseous Electronics Conference (GEC) radio-frequency (RF) Reference Cell is used to investigate the discharge characteristics and chemistries. This ICP source generates plasmas with higher electron densities (approximately 10(exp 12)/cu cm) and lower operating pressures (approximately 7 mTorr) than obtainable with the original parallel-plate version of the GEC Cell. This expanded operating regime is more relevant to new generations of industrial plasma systems being used by the microelectronics industry. The motivation for this study is to develop an understanding of the physical phenomena involved in plasma processing and to measure much needed fundamental parameters, such as gas-phase and surface reaction rates. species concentration, temperature, ion energy distribution, and electron number density. A wide variety of diagnostic techniques are under development through this consortium grant to measure these parameters. including molecular beam mass spectrometry (MBMS). Fourier transform infrared (FTIR) spectroscopy, broadband ultraviolet (UV) absorption spectroscopy, a compensated Langmuir probe. Additional diagnostics. Such as microwave interferometry and microwave absorption for measurements of plasma density and radical concentrations are also planned.

Cappelli, Mark A.↗
NASA NTRS1984

Tunable Heterodyne Receiver from 100 Micron to 1,000 Micron for Airborne Observations

Interest in high resolution spectrometers for the submillimeter wavelength range from 100 micron to 1,000 micron is mostly stimulated by molecular spectroscopy in radioastronomy and atmospheric physics, and by plasma diagnostic experiments. Schottky diodes in waveguide mixer technology and InSb-hot electron bolometers are successfully used in the 0.5 to a few millimeter range whereas tandem Fabry-Perot spectrometers combined with photoconductive detectors (Ge:Sb and Ge:Ga) are used for the 100 micron range. Recent research on heterodyne spectrometers, with Schottky diodes in an open structure mixer and a molecular laser as local oscillators, which can be used over the whole wavelength range is summarized.

Roeser, H. P.↗
NASA NTRS2004

Concept for Inclusion of Analytical and Computational Capability in Optical Plume Anomaly Detection (OPAD) for Measurement of Neutron Flux

Researchers are working on many fronts to make possible high-speed, automated classification and quantification of constituent materials in numerous environments. NASA's Marshall Space Flight Center has implemented a system for rocket engine flowfields/plumes. The Optical Plume Anomaly Detector (OPAD) system was designed to utilize emission and absorption spectroscopy for monitoring molecular and atomic particulates in gas plasma. An accompanying suite of tools and analytical package designed to utilize information collected by OPAD is known as the Engine Diagnostic Filtering System (EDiFiS). The current combination of these systems identifies atomic and molecular species and quantifies mass loss rates in H2/O2 rocket plumes. Capabilities for real-time processing are being advanced on several fronts, including an effort to hardware encode components of the EDiFiS for health monitoring and management. This paper addresses the OPAD with its tool suites, and discusses what is considered a natural progression: a concept for taking OPAD to the next logical level of high energy physics, incorporating fermion and boson particle analyses in measurement of neutron flux.

Patrick, Marshall Clint↗
NASA NTRS2004

Concept for Inclusion of Analytical and Computational Capability in Optical Plume Anomaly Detection (OPAD) for Measurement of Neutron Flux

Researchers are working on many konts to make possible high speed, automated classification and quantification of constituent materials in numerous environments. NASA's Marshall Space Flight Center has implemented a system for rocket engine flow fields/plumes; the Optical Plume Anomaly Detection (OPAD) system was designed to utilize emission and absorption spectroscopy for monitoring molecular and atomic particulates in gas plasma. An accompanying suite of tools and analytical package designed to utilize information collected by OPAD is known as the Engine Diagnostic Filtering System (EDIFIS). The current combination of these systems identifies atomic and molecular species and quantifies mass loss rates in H2/O2 rocket plumes. Additionally, efforts are being advanced to hardware encode components of the EDIFIS in order to address real-time operational requirements for health monitoring and management. This paper addresses the OPAD with its tool suite, and discusses what is considered a natural progression: a concept for migrating OPAD towards detection of high energy particles, including neutrons and gamma rays. The integration of these tools and capabilities will provide NASA with a systematic approach to monitor space vehicle internal and external environment.

Patrick, M. Clinton↗
NASA NTRS2013

Compositions of the Surfaces of Pluto and its Satellites

The information we have on the chemical compositions of the surfaces of Pluto and Charon has been obtained from Earth-based near-infrared spectroscopy. These bodies are seen in diffusely scattered sunlight upon which absorption bands diagnostic of specific ices are superimposed. Identified so far on Pluto are molecular nitrogen (N2), methane (CH4), carbon monoxide (CO), and ethane (C2H6), all in the frozen state. Charon has the clear spectral signature of H2O ice in the crystalline phase, plus an absorption band near 2.2 microns identified as a hydrated form of NH3. No diagnostic spectra of Pluto's other satellites are currently available. A fraction of Pluto's CH4 is dissolved in solid N2, which is in the hexagonal beta-phase. When a small concentration of CH4 exists in a N2 crystalline matrix, its absorption bands are shifted in wavelength by a small but detectable amount. Indeed the shifting of the CH4 bands is diagnostic of a host matrix. In the case of Pluto, the N2 band (2.148 microns) itself is detected, but for other trans-Neptunian objects where the N2 band cannot be seen, the shifted CH4 bands demonstrate the presence of N2 or (less likely) some other spectrally neutral and transparent matrix material (e.g., Ar). The absence of detectable CO2 and H2O ices on Pluto, while they are clearly present on the otherwise very similar Triton, is noteworthy. The ices of Pluto distributed non-uniformly across its surface, and the distribution shows long-term (decadal) changes. Both seasonal and secular changes may be occurring through transport across the surface as a result of changing temperature, and by seasonal changes in the vapor pressure equilibrium of the ice with the tenuous and variable atmosphere. Models of the photochemistry of the surface ices and the atmosphere of Pluto predict the presence of several materials not yet detected; the most abundant photoproducts are expected to be C2H2, C4H2, HCN, C2H6; HCN has been detected on Triton. Both Pluto and Charon have surface components in addition to the detected ices. These materials of presently unknown composition serve to reduce the albedos of both bodies below that expected for pure ices, and in the case of Pluto impart a yellow-brown coloration; the color of Charon is more nearly neutral. It is generally thought that the non-ice components are more refractory than the ices and that they may be complex carbonaceous materials derived from the ultraviolet and charged particle processing of the surface ices. Minerals are also plausible candidates for the non-ice fraction. The refractory colored components may constitute bedrock upon which variable amounts of the ices are alternately deposited and evaporated as the seasons change. Water ice is expected to be a component of the bedrock, although it has not yet been reliably identified.

Pluto↗
DOE OSTI2025

Detection of non‐native species formed during fibrillization of the myocilin olfactomedin domain

Abstract Glaucoma is a group of neurodegenerative diseases that together are the leading cause of irreversible blindness worldwide. Myocilin‐associated glaucoma is an inherited form of this disease, caused by intracellular aggregation of misfolded mutant myocilin. In vitro, the myocilin C‐terminal olfactomedin domain (OLF), the relevant domain for glaucoma pathogenesis, can be driven to form amyloid‐like fibrils under mild conditions. Here we characterize a species present during in vitro fibrillization. Purified OLF was subjected to fibrillization at concentrations required for downstream electron microscopy imaging and NMR spectroscopy. Additional biophysical techniques, including analytical ultracentrifugation and X‐ray crystallography, were employed to further characterize the multicomponent mixture. Negative stain transmission electron microscopy (TEM) shows a non‐native species reminiscent of known prefibrillar oligomers from other amyloid systems, NMR indicates a minor population of partially misfolded species is present in solution, and cryo‐EM imaging shows two‐dimensional protein arrays. The predominant soluble species remaining in solution after the fibril reaction is natively folded, as evidenced by X‐ray crystallography. In summary, after incubating OLF under fibrillization‐promoting conditions, there is a heterogeneous mixture consisting of soluble folded protein, mature amyloid‐like fibrils, and partially misfolded intermediate species that at present belie additional molecular detail. The characterization of OLF fibrillar species illustrates the challenges associated with developing a comprehensive understanding of the fibrillization process for large, non‐model amyloidogenic proteins.

Scelsi, Hailee F. [School of Chemistry and Biochem↗
DOE OSTI2024

A platform for non-local thermodynamic equilibrium atomic physics research using the buried layer target approach at a kJ level laser facility

Here we present a design and first use of a kJ level laser facility for research of non-local thermodynamic equilibrium atomic physics using the buried layer target method. The target design included a metal layer buried inside a plastic tamper with thicknesses tailored to the expected laser intensities. The target was illuminated from each side by two laser beams with intensities of 0.5–5 × 10 14 W/cm 2 . The advanced diagnostic suite included static and time-resolved imagers and spectrometers with various spectral resolutions. A 3D printed dual elliptically curved spectrometer is presented, and its results are compared to a traditional crystal spectrometer. Experimental results and radiation hydrodynamic simulations demonstrate that the target achieved the desired thermodynamic conditions of n e ≈ 10 21 –10 22 cm -3 and T e ≈ 1–2 keV.

3D printing↗
NASA NTRS1987

The physics of interstellar shock waves

This review discusses the observations and theoretical models of interstellar shock waves, in both diffuse cloud and molecular cloud environments. It summarizes the relevant gas dynamics, atomic, molecular and grain processes, radiative transfer, and physics of radiative and magnetic precursors in shock models. It then describes the importance of shocks for observations, diagnostics, and global interstellar dynamics. It concludes with current research problems and data needs for atomic, molecular and grain physics.

Shull, J. Michael↗
DOE OSTI2025

Oxidative stress is a shared characteristic of ME/CFS and Long COVID

Over 65 million individuals worldwide are estimated to have Long COVID (LC), a complex multisystemic condition marked by fatigue, post-exertional malaise, and other symptoms resembling myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS). With no clinically approved treatments or reliable diagnostic markers, there is an urgent need to define the molecular underpinnings of these conditions. By studying bioenergetic characteristics of peripheral blood lymphocytes in 25 healthy controls, 27 ME/CFS, and 20 LC donors, we find both ME/CFS and LC donors exhibit signs of elevated oxidative stress, especially in the memory subset. Using a combination of flow cytometry, RNA-seq, mass spectrometry, and systems chemistry analysis, we observed aberrations in reactive oxygen species (ROS) clearance pathways including elevated glutathione levels, decreases in mitochondrial superoxide dismutase protein levels, and glutathione peroxidase 4–mediated lipid oxidative damage. Strikingly, these redox pathways changes show sex-specific trends. While ME/CFS females exhibit higher total ROS and mitochondrial calcium levels, males have normal ROS levels, with pronounced mitochondrial lipid oxidative damage. In females, these higher ROS levels correlate with T cell hyperproliferation, consistent with the known role of elevated ROS in initiating proliferation. This hyperproliferation can be attenuated by metformin, suggesting this Food and Drug Administration (FDA)-approved drug as a possible treatment, as also suggested by a recent clinical study of LC patients. Moreover, these results suggest a shared mechanistic basis for the systemic phenotypes of ME/CFS and LC, which can be detected by quantitative blood cell measurements, and that effective, patient-tailored drugs might be discovered using standard lymphocyte stimulation assays.

ME/CFS↗
DOE OSTI2024

Ultrahigh-precision Compton polarimetry at 2 GeV

Here we report a high precision measurement of electron beam polarization using Compton polarimetry. The measurement was made in experimental Hall A at Jefferson Lab during the CREX experiment in 2020. A precision of dP/P = 0.36% was achieved detecting the back-scattered photons from the Compton scattering process. This is the highest precision in a measurement of electron beam polarization using Compton scattering ever reported, surpassing the ground-breaking measurement from the SLD Compton polarimeter. Such precision reaches the level required for the future flagship measurements to be made by the MOLLER and SoLID Experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2016

Characterization of an Atomic Hydrogen Source for Charge Exchange Experiments

We characterized the dissociation fraction of a thermal dissociation atomic hydrogen source byinjecting the mixed atomic and molecular output of the source into an electron beam ion trapcontaining highly charged ions and recording the x-ray spectrum generated by charge exchangeusing a high-resolution x-ray calorimeter spectrometer. We exploit the fact that the charge exchangestate-selective capture cross sections are very different for atomic and molecular hydrogen incidenton the same ions, enabling a clear spectroscopic diagnostic of the neutral species.

issociationX-ray spectrometersX-ray spectraMolecul↗
DOE OSTI2022

3D, Real-time Label-free Visualization of Cellular Health

This work directly addresses a key question raised in TA7, Topic L1 of HDTRA1-16-24-FRCWMDCall, “Can quantum level changes be detected, mapped, and understood in the biological environment to allow faster diagnostic responses?” This work will use the inherently sensitive quantum property of a molecular excited state lifetime to visualize and map discrete, subtle nanometer-scale changes (e.g. NADPH vs NADH) that are key indicators of cellular health in response to chemical and biological threats and MCMs. It will also develop and exploit new, fast imaging light-sheet methods to allow faster diagnostic responses. This new imaging system will exploit time-correlated single photon counting and new advances in single-objective light-sheet microscopy (oblique plane microscopy) for fast, quantitative analysis of cellular redox state. We will add an entirely new dimension (excited state fluorescence lifetime) to oblique plane microscopy—a method that even without this added dimension was labeled by Nature Methods in 2021 as a ‘Method to Watch.’ Following instrument development and validation, we will explore cellular response to Burkholderia infections and antibiotic treatment in immortal cell lines followed by expansion to more realistic cellular environments (such as neuro-muscular junctions, NMJs) to test nerve agent simulants and their MCMs. As a microscopy platform, these methods hold the promise of being able to visualize a single infected cell (or a cellular compartment) and MCM treatment well before a larger and later organ/organism response.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

On the Prospect of Chemically Transferable Coarse-Grained Electronic Models for Soft Materials

Electronic coarse-graining (ECG) methods predict quantum-mechanical electronic properties directly from coarse-grained (CG) molecular configurations, enabling electronic predictions at mesoscale length scales. Here, we present a diagnostic assessment of the feasibility of chemically transferable ECG models across a broad polymer-relevant chemical space using all-atom, united-atom, and Martini-scale representations. While high-resolution ECG models achieve near-quantitative accuracy, we show that chemically transferable ECG at the Martini resolution fails because the CG force field does not sample the same configurational distribution of local molecular structure as that underlying the DFT-parameterized ECG model. We demonstrate that our proposed Element-Count-Label (ECL) representation, which augments Martini beads with explicit stoichiometric data, significantly improves chemical generalization across diverse polymer chemistries. However, we find that even with improved chemical resolution, the model cannot recover electronic property distributions that are absent from the configurational space sampled by the CG force field. These results demonstrate that chemically transferable ECG requires future Martini-like force fields to explicitly preserve quantum chemistry–compatible local molecular structure in addition to thermodynamic and structural fidelity.

Kidder, Katherine M [Department of Chemistry; Univ↗