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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Lithium-ion electrolytic substrates for sub-1V high-performance transition metal dichalcogenide transistors and amplifiers

Electrostatic gating of two-dimensional (2D) materials with ionic liquids (ILs), leading to the accumulation of high surface charge carrier densities, has been often exploited in 2D devices. However, the intrinsic liquid nature of ILs, their sensitivity to humidity, and the stress induced in frozen liquids inhibit ILs from constituting an ideal platform for electrostatic gating. Here we report a lithium-ion solid electrolyte substrate, demonstrating its application in high-performance back-gated n-type MoS 2 and p-type WSe 2 transistors with sub-threshold values approaching the ideal limit of 60 mV/dec and complementary inverter amplifier gain of 34, the highest among comparable amplifiers. Remarkably, these outstanding values were obtained under 1 V power supply. Microscopic studies of the transistor channel using microwave impedance microscopy reveal a homogeneous channel formation, indicative of a smooth interface between the TMD and underlying electrolytic substrate. These results establish lithium-ion substrates as a promising alternative to ILs for advanced thin-film devices.

42 ENGINEERING↗
DOE OSTI2021

High-throughput bend-strengths of ultra-small polysilicon MEMS components

The strength distribution of polysilicon bend specimens, approximately 10 μm in size, is measured using a high-throughput microelectromechanical system fabrication and testing method. The distribution is predicted from reference tests on tensile specimens and finite element analysis of the bend specimen geometry incorporated into a stochastic extreme-value strength framework. Agreement between experiment and prediction suggests that the ultra-small specimens may be at the limit of extreme-value scaling and contain only one strength-controlling flaw/specimen.

Cook, Robert F. (ORCID:0000000304228881)↗
DOE OSTI2023

Determination of aquatic hazard concentrations for the oil spill response product class of surface washing agents using species sensitivity distributions

Surface washing agents (SWAs) are a diverse class of oil spill response products intended to facilitate removal of stranded oil from shorelines. This class of agents has high application rates relative to other categories of spill response products, but global toxicity data is generally limited to two standard test species: inland silverside and mysid shrimp. Here, in this study, we provide a framework to maximize the utility of limited toxicity data across a product class. To characterize species sensitivity to SWAs, the toxicity of three agents spanning a range of chemical and physical properties were tested in eight species. The relative sensitivity of mysids shrimp and inland silversides as surrogate test organisms was determined. Toxicity normalized species sensitivity distributions (SSDn) were used to estimate fifth centile hazard concentration (HC5) values for SWAs with limited toxicity data. Chemical toxicity distributions (CTD) of SWA HC5 values were used to compute a fifth centile chemical hazard distribution (HD5) to provide a more comprehensive assessment of hazard across a spill response product class with limited toxicity data than traditional single species or single agent approaches can give.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2021

Results for the First Quarter Calendar Year 2021 Tank 50 Salt Solution Sample

Tank 50 aqueous waste is analyzed on a quarterly basis and the results are compared to the Waste Acceptance Criteria (WAC) of the Z-Area Saltstone Production Facility (SPF). The information from this characterization will be used by Savannah River Remediation (SRR) for the transfer of aqueous waste from Tank 50 to SPF, where the waste will be treated and disposed in the Saltstone Disposal Facility. This Technical Report compares results, where applicable, to SPF WAC Limits and Targets. A memorandum reporting the average Cs-137 value and comparison to WAC Limits has been previously issued.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Combined search for neutrinos from dark matter self-annihilation in the Galactic Center with ANTARES and IceCube

In this work, we present the results of the first combined dark matter search targeting the Galactic Centre using the ANTARES and IceCube neutrino telescopes. For dark matter particles with masses from 50 to 1000 GeV, the sensitivities on the self-annihilation cross section set by ANTARES and IceCube are comparable, making this mass range particularly interesting for a joint analysis. Dark matter self-annihilation through the $\tau^+\tau^-$, $\mu^+\mu^-$, $b\bar{b}$ and $W^+W^-$ channels is considered for both the Navarro-Frenk-White and Burkert halo profiles. In the combination of 2,101.6 days of ANTARES data and 1,007 days of IceCube data, no excess over the expected background is observed. Limits on the thermally-averaged dark matter annihilation cross section $\langle\sigma_A\upsilon\rangle$ are set. These limits present an improvement of up to a factor of two in the studied dark matter mass range with respect to the individual limits published by both collaborations. When considering dark matter particles with a mass of 200 GeV annihilating through the $\tau^+\tau^-$ channel, the value obtained for the limit is $7.44 \times 10^{-24} \text{cm}^{3}\text{s}^{-1}$ for the Navarro-Frenk-White halo profile. For the purpose of this joint analysis, the model parameters and the likelihood are unified, providing a benchmark for forthcoming dark matter searches performed by neutrino telescopes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Improving Enzyme Optimum Temperature Prediction with Resampling Strategies and Ensemble Learning

Accurate prediction of the optimal catalytic temperature ( T opt ) of enzymes is vital in biotechnology, as enzymes with high T opt values are desired for enhanced reaction rates. Recently, a machine learning method (temperature optima for microorganisms and enzymes, TOME) for predicting T opt was developed. TOME was trained on a normally distributed data set with a median T opt of 37 °C and less than 5% of T opt values above 85 °C, limiting the method’s predictive capabilities for thermostable enzymes. Due to the distribution of the training data, the mean squared error on T opt values greater than 85 °C is nearly an order of magnitude higher than the error on values between 30 and 50 °C. Here, we apply ensemble learning and resampling strategies that tackle the data imbalance to significantly decrease the error on high T opt values (>85 °C) by 60% and increase the overall R 2 value from 0.527 to 0.632. The revised method, temperature optima for enzymes with resampling (TOMER), and the resampling strategies applied in this work are freely available to other researchers as Python packages on GitHub.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Detecting Reactive Products in Carbon Capture Polymers with Chemical Shift Anisotropy and Machine Learning

Aminopolymers are attractive sorbents for CO 2 direct air capture applications due to their high density of amine groups, which can readily react with atmospheric levels of CO 2 to form chemisorbed species. The identity of these chemisorbed species and the functional groups that form upon oxidative degradation depends on both material properties and processing conditions, forming a variety of carbonyl-type sites such as ammonium carbamates, bicarbonates, carbonates, carbamic acids, ureas, and amides. 13 C solid-state nuclear magnetic resonance (NMR) is often used to help elucidate the identity of these reacted species, but it is challenging due to the narrow chemical shift range of carbonyl sites. Herein, we demonstrate the application of a two-dimensional (2D) chemical shift anisotropy (CSA) recoupling pulse sequence (ROCSA) to obtain CSA tensor values at each isotropic chemical shift, overcoming limitations of isotropic peak resolution. CSA tensor values describe the local chemical environment and can readily differentiate between the chemisorbed and degradation products. To aid identification, we also developed a k-nearest neighbor (kNN) classification model to distinguish the functional groups via their CSA tensor parameters. This methodology was demonstrated on poly(ethylenimine) in γ-Al 2 O 3 exposed to CO 2 and showed that the chemisorbed products are ammonium carbamate and a mixed carbamate–carbamic acid species. The sample was analyzed again after desorption at 100 °C inducing mild degradation, and the remaining products were strongly bound carbamate and urea species. In conclusion, the combination of 2D CSA measurements coupled with a kNN classification model enhances the ability to accurately identify chemisorbed or degradation products in complex carbon capture materials.

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

Halide Perovskites and Their Derivatives for Efficient, High‐Resolution Direct Radiation Detection: Design Strategies and Applications

Abstract The past decade has witnessed a rapid rise in the performance of optoelectronic devices based on lead‐halide perovskites (LHPs). The large mobility‐lifetime products and defect tolerance of these materials, essential for optoelectronics, also make them well‐suited for radiation detectors, especially given the heavy elements present, which is essential for strong X‐ray and γ‐ray attenuation. Over the past decade, LHP thick films, wafers, and single crystals have given rise to direct radiation detectors that have outperformed incumbent technologies in terms of sensitivity (reported values up to 3.5 × 10 6 µC Gy air −1 cm −2 ), limit of detection (directly measured values down to 1.5 nGy air s −1 ), along with competitive energy and imaging resolution at room temperature. At the same time, lead‐free perovskite‐inspired materials (e.g., methylammonium bismuth iodide), which have underperformed in solar cells, have recently matched and, in some areas (e.g., in polarization stability), surpassed the performance of LHP detectors. These advances open up opportunities to achieve devices for safer medical imaging, as well as more effective non‐invasive analysis for security, nuclear safety, or product inspection applications. Herein, the principles behind the rapid rises in performance of LHP and perovskite‐inspired material detectors, and how their properties and performance link with critical applications in non‐invasive diagnostics are discussed. The key strategies to engineer the performance of these materials, and the important challenges to overcome to commercialize these new technologies are also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Optical and microstructural studies of erbium-doped TiO 2 thin films on silicon, SrTiO 3 , and sapphire

Rare-earth ion doped oxide thin films integrated on silicon substrates provide a route toward scalable, chip-scale platforms for quantum coherent devices. Erbium-doped TiO 2 is an attractive candidate: the Er 3+ optical transition is compatible with C-band optical fiber communications, while TiO 2 is an insulating dielectric compatible with silicon process technology. Through structural and optical studies of Er-doped TiO 2 thin films grown via molecular beam deposition on silicon, SrTiO 3 , and sapphire substrates, we have explored the impact of polycrystallinity and microstructure on the optical properties of the Er emission. Comparing polycrystalline TiO 2 (rutile)/Si with single-crystalline TiO 2 (rutile)/r-sapphire and polycrystalline TiO 2 (anatase)/Si with single-crystalline TiO 2 (anatase)/SrTiO 3 , we observe that the inhomogeneous linewidth (Γ inh ) of the most prominent peak in the Er spectrum (the Y 1 –Z 1 transition, 1520 and 1533 nm in rutile and anatase TiO 2 ) is significantly narrower in the polycrystalline case. This implies a relative insensitivity to extended structural defects and grain boundaries in such films (as opposed to, e.g., point defects). We show that the growth of an undoped, underlying TiO 2 buffer on Si can reduce Γ inh by a factor of 4–5. Expectedly, Γ inh also reduces with decreasing Er concentrations: we observe a ∼2 order of magnitude reduction from ∼1000 ppm Er to ∼10 ppm Er. Γ inh then gets limited to a residual value of ∼5 GHz that is insensitive to further reduction in the Er concentration. Based upon the above results, we argue that the optical properties in these thin films are limited by the presence of high “grown-in” point defect concentrations.

Chemical elements↗
DOE OSTI2023

Energy Efficiency's Role in Industrial Decarbonization

Around the world, efforts are increasing to drastically reduce greenhouse gas (GHG) emissions by 2050. The goal of the Paris Agreement is to hold the increase in global average temperature rise to below 2°C as compared with preindustrial levels, specifically aiming to limit it to 1.5°C. As of 2017, the global average temperature rise reached approximately 1°C. It is expected to hit the 1.5°C mark by 2040 if current trends continue. Limiting temperature rise to 2°C will require reaching net zero emissions in the latter half of the 21st century; GHG emissions would need to reach a near-zero value by 2050 to limit the rise to 1.5°C.

Sundaramoorthy, Senthil↗
DOE OSTI2024

Probing quarkyonic matter in neutron stars with the Bayesian nuclear-physics multimessenger astrophysics framework

The interiors of neutron stars contain matter at the highest densities realized in our Universe. Interestingly, theoretical studies of dense matter, in combination with the existence of two-solar-mass neutron stars, indicate that the speed of sound $c_s$ has to increase to values well above the conformal limit ($c_s^2$ = 1/3) before decreasing again at higher densities. Further, the decrease could be explained by either a strong first-order phase transition or a crossover transition from hadronic to quark matter. The latter scenario leads to a pronounced peak in the speed of sound, reaching values above the conformal limit, naturally explaining the inferred behavior. In this work, we use the nuclear-physics multimessenger astrophysics (NMMA) framework to compare predictions of the quarkyonic matter model with astrophysical observations of neutron stars, with the goal of constraining model parameters. Assuming quarkyonic matter to be realized within neutron stars, we find that there can be a significant amount of quarks inside the cores of neutron stars with masses in the two-solar-mass range, amounting to up to ≈0.13$M$ ⊙ , contributing ≈ 5.9% of the total mass. Furthermore, for the quarkyonic matter model investigated here, the radius of a 1.4$M$ ⊙ neutron star would be $13.44_{–1.54}^{+1.69}(13. 54_{–1.04}^{+1.02})$ km, at 95% credibility, without (with) the inclusion of AT2017gfo.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Study of the Neutrino Magnetic Moment with the NOvA Near Detector

Predicted by the Standard Model as theoretical, massless particles, neutrinos have been the subject of many experiments since their first detection. It is now experimentally confirmed that neutrinos do have mass necessitating an extension to the Standard Model. Such an extension allows for other surprising neutrino properties, such as a neutrino magnetic moment, nuMM. While neutrinos are observed to be neutral and do not couple to photons at leading order, higher order expansion of the interaction allows for coupling to the photon to occur and gives rise to a nuMM through quantum loop effects. This is a useful property for studying the Dirac or Majorana nature of neutrinos, as the predicted value of the magnetic moment would differ. This talk focuses on an introduction to the nuMM as well as discusses the current status of work being done on NOvA utilizing the Near Detector to obtain an upper limit on the nuMM value.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Predissociation-based measurements of bond dissociation energies: US 2 , OUS, and USe

The uranium-containing molecules US 2 , OUS, and USe have been investigated using a pulsed laser ablation supersonic beam molecular source with time-of-flight mass spectrometric detection. Spectra have been recorded using the resonant two-photon ionization method over the spectroscopic range from 277 to 238 nm. These species have a myriad of excited electronic states in this spectroscopic region, leading to spectra that are highly congested and appear quasicontinuous. Sharp predissociation thresholds are observed, allowing precise bond dissociation energies to be measured. In the case of the triatomic molecules, it was necessary to use one laser for excitation and a delayed laser for ionization in order to observe a sharp predissociation threshold that allowed a precise bond dissociation energy to be measured. The resulting thermochemical values are D 0 (SU-S) = 4.910 ± 0.003 eV, D 0 (OU-S) = 5.035 ± 0.004 eV, and D 0 (USe) = 4.609 ± 0.009 eV. These results provide the first measurement of D 0 (USe) and reduce the error limits in the previous values of D 0 (SU-S) and D 0 (OU-S) by a factor of more than 70.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Thermoradiative energy conversion in infrared interband cascade InAs/GaSb/AlInSb/GaSb type-II superlattice diodes

Thermoradiative energy conversion presents a means for the direct conversion of thermal energy through radiative transfer to a cold scene. However, much of the study of thermoradiative principles has been based on theory and simulations, with only sparse reports on the experimental demonstration of the concept. This work studies thermoradiative energy conversion in InAs/GaSb/AlInSb/GaSb type-II superlattice cascade devices. The devices exhibit a cutoff wavelength of 3.2 μm at 300 K, corresponding to a bandgap of 0.39 eV. Testing under a temperature-controlled chamber and scene demonstrates a maximum power density of 2.9 mW/m2 at a cell temperature of 121 °C. It is consistent with expected values for device operation limited by Shockley–Read–Hall non-radiative recombination. This result is a significant step in providing an experimental demonstration of thermoradiative energy conversion and a means to characterize cell performance, providing a foundation for further development to achieve practical values for power generation.

Islam, Md Toriqul (ORCID:0000000249871320)↗
DOE OSTI2020

Study of the ${{^{25}}}$Mg(d,p)${{^{26}}}$Mg reaction to constrain the ${{^{25}}}$Al(p,${\gamma }$)${{^{26}}}$Si resonant reaction rates in nova burning conditions

The rate of the 25 Al( p,γ) 26 Si reaction is one of the few key remaining nuclear uncertainties required for predicting the production of the cosmic γ-ray emitter 26 Al in explosive burning in novae. This reaction rate is dominated by three key resonances (J π = 0 + , 1 + and 3 + ) in 26 Si. Only the 3 + resonance strength has been directly constrained by experiment. A high resolution measurement of the 25 Mg(d, p) reaction was used to determine spectroscopic factors for analog states in the mirror nucleus, 26 Mg. A first spectroscopic factor value is reported for the 0 + state at 6.256 MeV, and a strict upper limit is set on the value for the 1 + state at 5.691 MeV, that is incompatible with an earlier ( 4 He, 3 He) study. These results are used to estimate proton partial widths, and resonance strengths of analog states in 26 Si contributing to the 25 Al( p,γ) 26 Si reaction rate in nova burning conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Geostatistical interpolation of streambed hydrologic attributes with addition of left censored data and anisotropy

Spatial geostatistical interpolation of point measurements of streambed attributes in the hyporheic zone may be constrained by the streambed anisotropy, and data density and spatial distribution may significantly impact the results. Spatial clustering and low spatial data density can be caused by bedrock outcropping at the streambed limiting installation of in-stream piezometers. This study examines parameter error variability of the geostatistical interpolation using anisotropic interpolation methods and increasing the data density by adding left censored values (i.e., data below measurement limit) to locations where measurements were limited by exposed bedrock lining the streambed. The reduction in relative standard error of the interpolation was determined for the spatial distributions of streambed attributes including hydraulic conductivity, seepage flux, and mercury solute flux measured in two different years along a study reach in East Fork Poplar Creek, Tennessee, USA. Here, two methods to impute the left censored values were compared including the conventional half the detection limit substitution method, and the Stochastic Approximation of Expectation-Maximization (SAEM) algorithm, which both had comparable results. Imputing left censored data increased the data density to recommended ranges, reduced data clustering, increased the spatial dependence for some attributes, and reduced the standard error for each of the three attributes. For the reach considered herein, addition of the left censored values resulted in a larger error reduction than the consideration of anisotropy within the interpolation, which confirms the benefit of data addition to increase data density within data-limited river corridors.

58 GEOSCIENCES↗
DOE OSTI2025

Detection of Br and I as atomic anions using liquid sampling – atmospheric pressure glow discharge/Orbitrap mass spectrometry

The quantification and determination of halogen isotope composition is essential in many fields including geochemistry and nuclear forensics. Detection of the halogen elements is commonly attempted with inductively coupled plasma mass spectrometry (ICP-MS) however, there are multiple challenges faced. Most significantly this includes very poor ionization efficiency and the potential for isobaric interferences from either matrix or plasma species. Thus, sensitivity and accuracy are often limiting issues. Here a liquid sampling-atmospheric pressure glow discharge (LS-APGD) ionization source is coupled with an ultrahigh resolution Orbitrap MS to perform halogen detection of bromine and iodine as initial analytes. This facilitates simple and sensitive detection of these elements as atomic anions from simple aqueous salt solutions. Collision-induced dissociation (CID) and higher-energy collisional dissociation (HCD) energies were optimized to produce the maximum response of Br − and I − . The LS-APGD conditions were optimized using a design of experiments (DOE) approach for Br − and I − concurrently. Response curves for Br − and I − solutions determined limit of detection (LOD) values of 50 pg and 5 pg, respectively, in 20 μL aliquots. The curves indicated response factors of 0.67 for 79 Br − and 0.90 for 127 I − . Br isotope ratios were determined with precision between 0.7 and 7.3% RSD, with the isotope ratios determined with precision 0.8% RSD at concentrations above the limit of quantification. Preliminary tests were conducted to evaluate the effect of different cations (Na + , K + , and Mg 2+ ) on Br − responses, with no discernible impacts observed on the halogen signal responses. This study demonstrates the potential use of the LS-APGD-Orbitrap-MS for the detection of multiple halogens while avoiding interferences, minimizing sample preparation, and overcoming ionization barriers.

Lang, Dehlia A. [Clemson University, SC (United St↗
DOE OSTI2025

Studying QED 3 with radial quantization on the lattice: Free limit

To investigate the three-dimensional quantum electrodynamics in the radial quantization on the lattice, the lattice action is constructed and the free limit is studied on 𝑆 2 × ℝ. With the overlap fermion, it is numerically verified that the important symmetries of the theory can be realized on the lattice. The analytic correlators are derived and compared to the lattice results, which agree including the overall normalization. The 𝑂⁡(𝑎 2 ) scaling is confirmed toward the analytic value in the continuum limit, and the number of reproduced excited states is estimated heuristically for the first few refinement levels. Our study helps us identify the features of the theory that we can study on the icosahedral lattice without fine-tuning.

Boyle, Peter A. [Brookhaven National Laboratory (B↗