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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Excitation Laser Energy Dependence of the Gap-Mode TERS Spectra of WS 2 and MoS 2 on Silver

In this work we present a systematic study of the dependence of the gap mode tip-enhanced Raman scattering (TERS) response of the mono- and bi-layer WS 2 and MoS 2 on silver as a function of the excitation laser energy in a broad spectral range from 473nm to 830 nm. For this purpose, we collected consecutive TERS maps of the same area in the sample containing mono-and bi-layer regions with the same TERS probe with 6 different excitation lasers. To decrease the number of collected TERS maps, we used for the first time to the best of our knowledge, concurrent excitation and collection with two lasers simultaneously. We found that the E 2g /A 1g peak intensity ratio for the bilayer WS 2 @Ag and the ratio of the A’/A 1g peak intensity of the out-of-plane mode for the mono- and the bilayer, change in a significantly non-monotonous way as the excitation laser energy is swept from 1.58 eV to 2.62 eV. The former ratio increases at energies corresponding to A and B excitons (~2.0 eV and 2.4 eV correspondingly) in bilayer WS 2 . The absolute intensity of the A’ peak in the monolayer, and correspondingly the A’/A 1g ratio, is surprisingly high at lower excitation energies, but dips dramatically at the energy corresponding to the A exciton, being restored partially in between A and B excitons, but still showing the descending trend as the excitation laser energy increases. A somewhat similar picture was observed in mono- and bi-layers of MoS 2 @Ag, though the existing set of excitation lasers did not match the excitonic profile of this material as nicely as for the case of WS 2 . We attribute the observed behavior to the presence of intermediate (Fano resonance) or strong (Rabi splitting) coupling between the excitons in transition metal dichalcogenides (TMDs) and the plasmons in the tip-substrate nanocavity. This is akin to the so-called Fano (Rabi) transparency experimentally observed in far field scattering from transition metal dichalcogenides between two plasmonic metals. The possibility of the formation of intermediate/strong coupling between the excitonic resonances in TMDs and the nanocavity re-evaluates the role of various resonances in the gap-mode TERS and should become an important factor to be considered by TERS practitioners during planning the experiments. Lastly, based on observed phenomena and its explanation, we propose the “ideal” substrate for efficient TERS and tip enhanced photoluminescence (TEPL) measurements.

Raman spectroscopy↗
DOE OSTI2025

Shifting the MLCT of d 6 metal complexes to the red and NIR

Light-active d 6 -coordination compounds hold great promise for light energy conversion, sensors and therapeutic applications. However, the activity in the red-to-NIR spectral region is highly desirable to convert solar light more efficiently, use low-cost red-light sources and activate these chromophores in biological tissue environment. Due to their versatility, tunability and broad intense absorption, d 6 -coordination compounds with metalto-ligand charge transfer (MLCT) transitions are especially interesting. This review article offers a comprehensive collection of strategies to tune MLCT excited states in d 6 metal complexes and gives insights on group 6 to group 9 transition metals and their respective state-of-the-art MLCT engineering towards red-shifted absorption and emission properties with long-lived excited states. Strategies comprise lowering the π* level of the ligands, destabilizing and mixing of the metal-based HOMO, switching within a group of transition metals, matrix effects and insights into dealing with excited state deactivation in the context of the energy gap law.

Metal to ligand charge transfer (MLCT)↗
NASA NTRSDate not supplied

Documentation of Destructive Analyses on Thin Sections in the US Antarctic Meteorite Collection

Detailed studies and analytical measurements are commonly made using thin sections of rocks affixed with epoxy to a slide. Thin sections [1,2] are a convenient medium in which to study rocks and meteorites, and fit into sample holders compatible with many instruments. Thin sections can also be used multiple times by different researchers, and many meteorite thin sections from the US Antarctic meteorite collection, have been utilized by 5 to 6 researchers over their 40 year lifetime. Thin sections are thus a scientifically valuable resource that must be preserved, documented and conserved over time. Analytical capabilities for meteorite and other sample studies have progressed extensively in the last 20 years, including many different kinds of analysis of high spatial resolution on thin sections. The progression to analysis on small samples has provided new and efficient ways to characterize samples while also preserving more material for future generations to study. While the development of analytical tools has expanded, many of these analyses are destructive in the sense that small pits or holes or other effects of the analysis are created on the thin sections. Preserving material for future generations thus requires recording the effects of multiple analyses on thin sections. Here we describe the process used for documenting the effects of various analyses on thin sections in the US Antarctic meteorite collection.

thin section↗
DOE OSTI2021

Laser-Induced Cooperative Transition in Molecular Electronic Crystal

The competing and non-equilibrium phase transitions, involving dynamic tunability of cooperative electronic and magnetic states in strongly correlated materials, show great promise in quantum sensing and information technology. To date, the stabilization of transient states is still in the preliminary stage, particularly with respect to molecular electronic solids. Here, a dynamic and cooperative phase in potassium-7,7,8,8-tetracyanoquinodimethane (K-TCNQ) with the control of pulsed electromagnetic excitation is demonstrated. Simultaneous dynamic and coherent lattice perturbation with 8 ns pulsed laser (532 nm, 15 MW cm -2 , 10 Hz) in such a molecular electronic crystal initiates a stable long-lived (over 400 days) conducting paramagnetic state (≈42 Ωcm), showing the charge–spin bistability over a broad temperature range from 2 to 360 K. Comprehensive noise spectroscopy, in situ high-pressure measurements, electron spin resonance (ESR), theoretical model, and scanning tunneling microscopy/spectroscopy (STM/STS) studies provide further evidence that such a transition is cooperative, requiring a dedicated charge–spin–lattice decoupling to activate and subsequently stabilize nonequilibrium phase. Finally, the cooperativity triggered by ultrahigh-strain-rate (above 10 6 s -1 ) pulsed excitation offers a collective control toward the generation and stabilization of strongly correlated electronic and magnetic orders in molecular electronic solids and offers unique electro-magnetic phases with technological promises.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Quantifying the influence of different biocrust community states and their responses to warming temperatures on soil biogeochemistry in field and mesocosm studies

Biocrusts influence soil biogeochemistry by fixing carbon (C) and nitrogen (N) and through leachate inputs to soils. Functional rates can vary among biocrust community states and in response to edaphic properties, heterotrophic microbial activity, and global change. Using soils and biocrusts from the Colorado Plateau, Utah, USA, we aimed to quantify the influence of early-successional (ES) and late-successional (LS) biocrust community states on soil biogeochemistry. In a field setting, we found soil was less “fertile” under ES than LS biocrust, but ES biocrust had a relative influence 1.3 times greater than LS biocrust on soil fertility. Leachate collected from LS biocrust had, on average, 6 times more organic C and 1.7 times more dissolved N than ES biocrust, but concentrations of phosphorus (P) and inorganic N did not differ among the two biocrust types. Here, to disentangle influences of biocrusts and soil properties on biogeochemical pools, we constructed mesocosms from homogenized soil and left the surface bare or covered with ES or LS biocrust, before assignment to ambient or warmed (+5 °C) temperature treatments for 3 months. Multivariate biogeochemical properties differed among cover types, yet all exhibited losses of P, N, and organic C and nearly half of the biogeochemical variables considered did not differ among cover types. Mesocosms with LS biocrust retained more dissolved N, supported 8 additional, significant correlations among biogeochemical pools of the biocrust and mineral soil layer on average, and lost fewer of these correlations under warming. Overall, while soils under LS biocrusts were more fertile (i.e., had higher nutrient concentrations) than under ES, we did not find evidence implicating leachate as the primary driver of this difference. Biocrust influences on soil fertility were greater when mineral soil nutrients were in lower concentrations, highlighting the value of even incipient biocrusts for dryland functioning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Crosstalk Suppression in Individually Addressed Two-Qubit Gates in a Trapped-Ion Quantum Computer

Crosstalk between target and neighboring spectator qubits due to spillover of control signals represents a major error source limiting the fidelity of two-qubit entangling gates in quantum computers. We show that in our laser-driven trapped-ion system coherent crosstalk error can be modeled as residual $X\hat{σ}_{\phi}$ interaction and can be actively canceled by single-qubit echoing pulses. We propose and demonstrate a crosstalk suppression scheme that eliminates all first-order crosstalk utilizing only local control of target qubits, as opposed to an existing scheme which requires control over all neighboring qubits. We report a two-qubit Bell state fidelity of 99.52(6)% with the echoing pulses applied after collective gates and 99.37(5)% with the echoing pulses applied to each gate in a five-ion chain. Finally, this scheme is widely applicable to other platforms with analogous interaction Hamiltonians.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Search for Rare b → d ℓ + ℓ − Transitions at Belle

We present the results of a search for the b → d ℓ + ℓ − flavor-changing neutral-current rare decays B + , 0 → ( η , ω , π + , 0 , ρ + , 0 ) e + e − and B + , 0 → ( η , ω , π 0 , ρ + ) μ + μ − using a 711 fb − 1 data sample that contains 772 × 10 6 B B ¯ events. The data were collected at the ϒ ( 4 S ) resonance with the Belle detector at the KEKB asymmetric-energy e + e − collider. We find no evidence for signal and set upper limits on branching fractions at the 90% confidence level in the range ( 3.8 – 47 ) × 10 − 8 depending on the decay channel. The obtained limits are the world’s best results. This is the first search for the channels B + , 0 → ( ω , ρ + , 0 ) e + e − and B + , 0 → ( ω , ρ + ) μ + μ − . Published by the American Physical Society 2024

Physics↗
DOE OSTI2022

Cryotrapping peroxide in the active site of human mitochondrial manganese superoxide dismutase crystals for neutron diffraction

Structurally identifying the enzymatic intermediates of redox proteins has been elusive due to difficulty in resolving the H atoms involved in catalysis and the susceptibility of ligand complexes to photoreduction from X-rays. Cryotrapping ligands for neutron protein crystallography combines two powerful tools that offer the advantage of directly identifying hydrogen positions in redox-enzyme intermediates without radiolytic perturbation of metal-containing active sites. However, translating cryogenic techniques from X-ray to neutron crystallography is not straightforward due to the large crystal volumes and long data-collection times. Here, methods have been developed to visualize the evasive peroxo complex of manganese superoxide dismutase (MnSOD) so that all atoms, including H atoms, could be visualized. The subsequent cryocooling and ligand-trapping methods resulted in neutron data collection to 2.30 Å resolution. The P 6 1 22 crystal form of MnSOD is challenging because it has some of the largest unit-cell dimensions ( a = b = 77.8, c = 236.8 Å) ever studied using high-resolution cryo-neutron crystallography. The resulting neutron diffraction data permitted the visualization of a dioxygen species bound to the MnSOD active-site metal that was indicative of successful cryotrapping.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Surface Water Disinfection Byproducts and Organic Matter Characterization Data Associated with: “Disinfection byproducts formed during drinking water treatment reveal an export control point for dissolved organic matter in a subalpine headwater stream”

This dataset is associated with the publication “Disinfection byproducts formed during drinking water treatment reveal an export control point for dissolved organic matter in a subalpine headwater stream” published in Water Research X (Leonard et al. 2022; https://doi.org/10.1016/j.wroa.2022.100144). The associated study analyzed temporal trends from the Town of Crested Butte water treatment facility and synoptic sampling at Coal Creek in Crested Butte, Colorado, US. This work demonstrates how drinking water quality archives combined with synoptic sampling and targeted analyses can be used to identify and understand export control points for dissolved organic matter. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) metadata and international geo-sample number (IGSN) mapping file; (4) dissolved organic carbon (DOC), ultraviolet absorbance at 254 nanometers (UV254), total nitrogen (TN), and specific ultraviolet absorbance (SUVA) data; (5) disinfection bioproduct formation potential (DBP-FP) data; (6) readme; (7) methods codes; (8) water collection protocol; (9) folder of high resolution characterization of organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory); and (10) folder of excitation emissions matrix (EEM) spectra. The FTICR folder contains a file of DOC (measured as non-purgeable organic carbon; NPOC) used for FTICR sample preparation. The FTICR folder also contains three subfolders: one subfolder containing the raw .xml data files, one containing the processed data, and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .dat, .R, .ref, or .xml

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

PPI DataHub Project Data Package: S. elongatus PCC 7942 Circadian Control Bioproduction Metabolomics (PB-DP5)

The purpose of this experiment was to evaluate how circadian clock regulation impacts carbon partitioning between storage, growth, and product synthesis in Synechococcus elongatus PCC 7942 in providing insights to strategies for enhanced bioproduction. Culture samples were collected at 0, 0.5, 1, 2, 4, 6, and 8 hours for extracellular sucrose analysis. Circadian metabolomics data was acquired using a Agilent single quadrupole gas chromatography-mass spectrometer and processed using Agilent Mass Hunter for targeted sucrose quantification. Metabolomic analysis of PCC 7942 light-dark cycle cultures transitioned to constant light revealed distinct temporal patterns in sucrose production. Processed metabolomic datasets are openly accessible from the PNNL DataHub project dataset download page and contain secondary processed GC-MS results files and supporting metadata materials linked to relevant source code information supporting data transparency and reuse.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1974

Earth Observatory Satellite system definition study. Report no. 3: Design/cost tradeoff studies. Appendix C: EOS program requirements document

An analysis of the requirements for the Earth Observatory Satellite (EOS) system specifications is presented. The analysis consists of requirements obtained from existing documentation and those derived from functional analysis. The requirements follow the hierarchy of program, mission, system, and subsystem. The code for designating specific requirements is explained. Among the subjects considered are the following: (1) the traffic model, (2) space shuttle related performance, (3) booster related performance, (4) the data collection system, (5) spacecraft structural tests, and (6) the ground support requirements.

Source record↗
NASA NTRS1975

M-071 critical data analysis

A prototype balance study was conducted on earth prior to the balance studies conducted in Skylab itself. Collected were daily dietary intake data of 6 minerals and nitrogen, and fecal and urinary outputs on each of three astronauts. Essential statistical issues show what quantities need to be estimated and establish the scope of inference associated with alternative variance estimates. The procedures for obtaining the final variability due both to errors of measurement and total error (total = measurement and biological variability) are exhibited.

Hegsted, D. M.↗
NASA NTRS1981

Chronic exposure of a honey bee colony to 2.45 GHz continuous wave microwaves

A honey bee colony (Apis mellifera L.) was exposed 28 days to 2.45 GHz continuous wave microwaves at a power density (1 mW/sq cm) expected to be associated with rectennae in the solar power satellite power transmission system. Differences found between the control and microwave-treated colonies were not large, and were in the range of normal variation among similar colonies. Thus, there is an indication that microwave treatment had little, if any, effect on (1) flight and pollen foraging activity, (2) maintenance of internal colony temperature, (3) brood rearing activity, (4) food collection and storage, (5) colony weight, and (6) adult populations. Additional experiments are necessary before firm conclusions can be made.

Westerdahl, B. B.↗
NASA NTRS1983

Antarctic Meteorite Newsletter, volume 6, number 2

Meteorites from the 1981 and 1982 Antarctic collection are listed showing classification, weight, degree of weathering, degree of fractionation, % Fa, and % Fs. Physical and petrigraphic characteristics are described for 23 samples from the Allan Hills, Thiel Mountains, the Pecora Escarpment, and the Elephant Moraine locations.

Source record↗
NASA NTRS1990

The analysis of polar clouds from AVHRR satellite data using pattern recognition techniques

The cloud cover in a set of summertime and wintertime AVHRR data from the Arctic and Antarctic regions was analyzed using a pattern recognition algorithm. The data were collected by the NOAA-7 satellite on 6 to 13 Jan. and 1 to 7 Jul. 1984 between 60 deg and 90 deg north and south latitude in 5 spectral channels, at the Global Area Coverage (GAC) resolution of approximately 4 km. This data embodied a Polar Cloud Pilot Data Set which was analyzed by a number of research groups as part of a polar cloud algorithm intercomparison study. This study was intended to determine whether the additional information contained in the AVHRR channels (beyond the standard visible and infrared bands on geostationary satellites) could be effectively utilized in cloud algorithms to resolve some of the cloud detection problems caused by low visible and thermal contrasts in the polar regions. The analysis described makes use of a pattern recognition algorithm which estimates the surface and cloud classification, cloud fraction, and surface and cloudy visible (channel 1) albedo and infrared (channel 4) brightness temperatures on a 2.5 x 2.5 deg latitude-longitude grid. In each grid box several spectral and textural features were computed from the calibrated pixel values in the multispectral imagery, then used to classify the region into one of eighteen surface and/or cloud types using the maximum likelihood decision rule. A slightly different version of the algorithm was used for each season and hemisphere because of differences in categories and because of the lack of visible imagery during winter. The classification of the scene is used to specify the optimal AVHRR channel for separating clear and cloudy pixels using a hybrid histogram-spatial coherence method. This method estimates values for cloud fraction, clear and cloudy albedos and brightness temperatures in each grid box. The choice of a class-dependent AVHRR channel allows for better separation of clear and cloudy pixels than does a global choice of a visible and/or infrared threshold. The classification also prevents erroneous estimates of large fractional cloudiness in areas of cloudfree snow and sea ice. The hybrid histogram-spatial coherence technique and the advantages of first classifying a scene in the polar regions are detailed. The complete Polar Cloud Pilot Data Set was analyzed and the results are presented and discussed.

Smith, William L.↗
NASA NTRS1989

Thunderstorm related variations in stratospheric conductivity measurements

The vector electric field and polar conductivities were measured by zero-pressure balloon-borne payloads launched from Wallops Island, Virgina during the summers of 1987 and 1988. Data were collected over thunderstorms (or electrified clouds) during 6-hour flights at altitudes near 30 km. The vector electric field measurements were made with the double Langmuir probe high-impedance method, and the direct conductivity measurements were obtained with the relaxation technique. Evidence is presented for conductivity variations over thunderstorms (or electrified clouds). It is found that both positive and negative polar conductivity data do show variations of up to a factor of 2 from ambient values associated with the disturbed periods. Some ideas for possible physical mechanisms which may be responsible for the conductivity variations over thunderstorms are also discussed in this paper.

Hu, Hua↗
NASA NTRS1989

Probabilistic structural analysis: Introductory remarks

The development of probabilistic structural analysis methodology consists of the following program elements: (1) composite load spectra models, (2) computational probabilistic structural analysis methods, and (3) probabilistic constitutive relationships. The development of the probabilistic structural analysis methodology is a joint program of NASA Lewis in-house and sponsored research. The objective of this session is to illustrate recent progress on the application of this methodology to determine the reliability of structural components for rocket propulsion systems. The session contains descriptions of and progress reports on the following specific activities: (1) The NESSUS computer code, (2) approximate methods, (3) advanced methods, (4) composite load spectra applications, (5) probabilistic fracture mechanisms, and (6) probability of failure and risk analysis. Collectively, the progress to date demonstrates that the structural durability of hot engine structural components can be effectively evaluated in a formal probabilistic/reliability framework.

Chamis, Christos C.↗
NASA NTRS1990

Alpha-particle sensitive test SRAMs

A bench-level test is being developed to evaluate memory-cell upsets in a test SRAM designed with a cell offset voltage. This offset voltage controls the critical charge needed to upset the cell. The effect is demonstrated using a specially designed 2-micron n-well CMOS 4-kb test SRAM and a Po-208 5.1-MeV 0.61-LET alpha-particle source. This test SRAM has been made sensitive to alpha particles through the use of a cell offset voltage, and this has allowed a bench-level characterization in a laboratory setting. The experimental data are linked to a alpha-particle interaction physics and to SPICE circuit simulations through the alpha-particle collection depth. The collection depth is determined by two methods and found to be about 7 micron. In addition, alpha particles that struck outside the bloated drain were able to flip the SRAM cells. This lateral charge collection was observed to be more than 6 micron.

Buehler, M. G.↗