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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Nanotubes from the Misfit Layered Compound (SmS) 1.19 TaS 2 : Atomic Structure, Charge Transfer, and Electrical Properties

Misfit layered compounds (MLCs) MX-TX 2 , where M, T = metal atoms and X = S, Se, or Te, and their nanotubes are of significant interest due to their rich chemistry and unique quasi-1D structure. In particular, LnX-TX 2 (Ln = rare-earth atom) constitute a relatively large family of MLCs, from which nanotubes have been synthesized. The properties of MLCs can be tuned by the chemical and structural interplay between LnX and TX 2 sublayers and alloying of each of the Ln, T, and X elements. In order to engineer them to gain desirable performance, a detailed understanding of their complex structure is indispensable. MLC nanotubes are a relative newcomer and offer new opportunities. In particular, like WS 2 nanotubes before, the confinement of the free carriers in these quasi-1D nanostructures and their chiral nature offer intriguing physical behavior. High-resolution transmission electron microscopy in conjunction with a focused ion beam are engaged to study SmS-TaS 2 nanotubes and their cross-sections at the atomic scale. The atomic resolution images distinctly reveal that Ta is in trigonal prismatic coordination with S atoms in a hexagonal structure. Furthermore, the position of the sulfur atoms in both the SmS and the TaS 2 sublattices is revealed. X-ray photoelectron spectroscopy, electron energy loss spectroscopy, and X-ray absorption spectroscopy are carried out. These analyses conclude that charge transfer from the Sm to the Ta atoms leads to filling of the Ta 5d z 2 level, which is confirmed by density functional theory (DFT) calculations. Transport measurements show that the nanotubes are semimetallic with resistivities in the range of 10 –4 Ω·cm at room temperature, and magnetic susceptibility measurements show a superconducting transition at 4 K.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of Redox-Inactive Metal Ion–Nickel(III) Interactions on the Redox Properties and Proton-Coupled Electron Transfer Reactivity

We report Mononuclear nickel(II) and nickel(III) complexes of a bisamidate-bisalkoxide ligand, (NMe 4 ) 2 [Ni- II (HMPAB)] (1) and (NMe 4 )[Ni III (HMPAB)] (2), respectively, have been synthesized and characterized by various spectroscopic techniques including X-ray crystallography. The reaction of redox-inactive metal ions (M n+ = Ca 2+ , Mg 2+ , Zn 2+ , Y 3+ , and Sc 3+ ) with 2 resulted in 2-M n+ adducts, which was assessed by an array of spectroscopic techniques including X-ray absorption spectroscopy (XAS), electron paramagnetic resonance (EPR), and reactivity studies. The X-ray structure of Ca 2+ coordinated to Ni(III) complexes, 2Ca 2+ T, was determined and exhibited an average Ni-Ca distance of 3.1253 angstrom, close to the metal ions' covalent radius. XAS analysis of 2-Ca 2+ and 2-Y 3+ in solution further revealed an additional coordination to Ca and Y in the 2-M n+ adducts with shortened Ni-M distances of 2.15 and 2.11 Å, respectively, implying direct bonding interactions between Ni and Lewis acids (LAs). Such a short interatomic distance between Ni(III) and M is unprecedented and was not observed before. EPR analysis of 2 and 2-M n+ species, moreover, displayed rhombic signals with g av > 2.12 for all complexes, supporting the +III oxidation state of Ni. The Ni III /Ni II redox potential of 2 and 2-M n+ species was determined, and a plot of E 1/ 2 of 2-M n+ versus pK a of [M(H 2 O) n ] m+ exhibited a linear relationship, implying that the Ni III /Ni II potential of 2 can be tuned with different redox-inactive metal ions. Reactivity studies of 2 and 2-M n+ with different 4-X-2,6-ditert-butylphenol (4-XDTBP) and other phenol derivatives were performed, and based on kinetic studies, we propose the involvement of a proton-coupled electron transfer (PCET) pathway. Analysis of the reaction products after the reaction of 2 with 4-OMe-DTBP showed the formation of a Ni(II) complex (1a) where one of the alkoxide arms of the ligand is protonated. A pK a value of 24.2 was estimated for 1a. The reaction of 2-M n+ species was examined with 4-OMe-DTBP, and it was observed that the k 2 values of 2-M n+ species increase by increasing the Lewis acidity of redox-inactive metal ions. However, the obtained k 2 values for 2-M n+ species are much lower compared to the k 2 value for 2. Such a variation of PCET reactivity between 2 and 2-M n+ species may be attributed to the interactions between Ni(III) and LAs. Our findings show the significance of the secondary coordination sphere effect on the PCET reactivity of Ni(III) complexes and furnish important insights into the reaction mechanism involving high-valent nickel species, which are frequently invoked as key intermediates in Ni-mediated enzymatic reactions, solar-fuel catalysis, and biomimetic/synthetic transformation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Gate-Tunable Semiconductor Heterojunctions from 2D/3D van der Waals Interfaces

Van der Waals (vdW) semiconductors are attractive for highly scaled devices and heterogeneous integration since they can be isolated into self-passivated, two-dimensional (2D) layers that enable superior electrostatic control. These attributes have led to numerous demonstrations of field-effect devices ranging from transistors to triodes. By exploiting the controlled, substitutional doping schemes in covalently-bonded, three-dimensional (3D) semiconductors and the passivated surfaces of 2D semiconductors, one can construct devices that can exceed performance metrics of “all-2D” vdW heterojunctions. Here, we demonstrate, 2D/3D semiconductor heterojunctions using MoS2 as the prototypical 2D semiconductor laid upon Si and GaN as the 3D semiconductor layers. By tuning the Fermi levels in MoS2, we demonstrate devices that concurrently exhibit over seven orders of magnitude modulation in rectification ratios and conductance. Our results further suggest that the interface quality does not necessarily affect Fermi-level tuning at the junction opening up possibilities for novel 2D/3D heterojunction device architectures

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ionic Control over Ferroelectricity in 2D Layered van der Waals Capacitors

The van der Waals layered material CuInP 2 S 6 features interesting functional behavior, including the existence of four uniaxial polarization states, polarization reversal against the electric field through Cu ion migration, a negative-capacitance regime, and reversible extraction of Cu ions. At the heart of these characteristics lies the high mobility of Cu ions, which also determines the spontaneous polarization. Therefore, Cu migration across the lattice results in unusual ferroelectric behavior. Here, we demonstrate how the interplay of polar and ionic properties provides a path to ionically controlled ferroelectric behavior, achieved by applying selected DC voltage pulses and subsequently probing ferroelectric switching during fast triangular voltage sweeps. Using current measurements and theoretical calculations, we observe that increasing DC pulse duration results in higher ionic currents, the buildup of an internal electric field that shifts polarization loops, and an increase in total switchable polarization by ~50% due to the existence of a high polarization phase which is stabilized by the internal electric field. Apart from tuning ferroelectric behavior by selected square pulses, hysteretic polarization switching can even be entirely deactivated and reactivated, resulting in three-state systems where polarization switching is either inhibited or can be performed in two different directions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reforming of methane with carbon dioxide over cerium oxide promoted nickel nanoparticles deposited on 4-channel hollow fibers by atomic layer deposition

Ni nanoparticles were deposited on four-channel structured α-Al2O3 hollow fibers by atomic layer deposition (ALD). CeO 2 was loaded by a liquid phase incipient wetness method to promote Ni catalysts for dry reforming of methane. For Ni/Al 2 O 3 prepared by ALD, inactive NiAl2O4 that originated from the Ni ALD process was incompletely reduced. The introduced CeO 2 was found to weaken the NiO–Al 2 O 3 interaction, free NiO from NiO–Al 2 O 3 or NiAl 2 O 4 , and improve the reducibility of NiO. The higher reducibility of NiAl 2 O 4 , tuned by CeO 2 , further activated the catalyst during DRM, because a larger proportion of NiAl 2 O 4 was gradually reduced to metallic nickel by the reaction products. The optimal catalytic performance reached a methane reforming rate of 2410 L h -1 gNi -1 at 850 °C. The CeO 2 promoted catalyst also exhibited an excellent performance after regeneration. In addition, the inhibition effect of CeO 2 on coke formation was observed, due to the enhanced CO 2 dissociative adsorption by CeO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Exploring New Resin Systems for Nb3Sn Accelerator Magnets

Epoxy resins have long been a focus of magnet design. They provide strength and stability to the superconductor, to allow coil fabrication and consistent magnet performance. They are often cited as a main contributor to magnet performance, often as a limiting factor, from epoxy cracking and energy release. New resin systems are being designed to improve magnet quench and training performance through several means. Baseline candidate resin systems are evaluated for neat resin mechanical properties as well as behavior in Nb 3 Sn subscale composites. Furthermore, this data feeds additional resin system tuning to meet the goals stated above.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Nanosecond photonic switch architectures demonstrated in an all-digital monolithic platform

We present an all-digital, fully programmable, nanosecond-scale photonic switch platform, monolithically integrating electronics for actuation, tuning, and power-monitoring alongside switching elements, resulting in a scalable, packageable solution for high-radix photonic switch fabrics. Furthermore by utilizing this platform, we achieve record loss and extinction performances comprising a 2x2 Mach Zehnder switch with 0.8 dB of loss and 28 dB extinction and a 2x2 nested Mach Zehnder switch with 1.3 dB of loss and 38 dB extinction.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Tardigrade: Summary (LL20-AM-sensor)

Tardigrade is an effort to create small, passive remote sensor for material detection and identification. The microbolometer based sensor design uses custom bandpass filter bands combined with tuned thermal expansion materials in a ruggedized lens housing to provide passive mechanical correction for optical changes across a wide temperature range. This requires developing computational tools to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. Current efforts in the project are in 3 areas: material design algorithm development (transitioning into full 3D material design space), multi-material additive manufacturing process exploration, and sensor/optics design and engineering.

42 ENGINEERING↗
DOE OSTI2022

Sensitivity Effects of Hollow Glass Micro-Balloon Doping on RDX-Based Explosives

Sensitivity to initiation is an important characteristic of high explosives. Many chemical and physical properties are fine-tuned to deliver an energetic material that behaves according to the user’s specifications exactly. In some cases, it is advantageous to study the effects that non energetic additives have on the performance of an explosive material. Following on the promising results obtained in other experiments, a study is conducted on the effects of hollow glass micro-balloons (bubbles, spheres), or HGMB, on a material’s sensitivity. Threshold test data is compared between several formulations of explosives. The control formulation is an RDX-based explosive with a non-energetic binder, and the test formulations are identical in composition, but with the addition of HGMB, up to 6% by volume. Safety testing of the new HGMB-doped explosive formulations is conducted to ensure they can be produced and handled safely prior to intentional detonation. This experiment utilizes an attenuation card of varying thicknesses between the initiator and the test article to attenuate the shock imparted, and a witness plate is analyzed for each test article to determine a GO or NO GO result. The data collected and the conclusions of this study affect how additives like HGMB are utilized in future explosive sensitivity threshold experiments.

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

A Qualitative Strategy for Fusion of Physics into Empirical Models for Process Anomaly Detection

To facilitate the automated online monitoring of power plants, a systematic and qualitative strategy for anomaly detection is presented. This strategy is essential to provide credible reasoning on why and when an empirical versus hybrid (i.e., physics-supported) approach should be used and to determine the ideal mix of these two approaches for a defined anomaly detection scope. Empirical methods are usually based on pattern, statistical, and causal inference. Hybrid methods include the use of physics models to train and test data methods, reduce data dimensionality, reduce data-model complexity, augment data, and reduce empirical uncertainty; hybrid methods also include the use of data to tune physics models. The presented strategy is driven by key decision points related to data relevance, simple modeling feasibility, data inference, physics-modeling value, data dimensionality, physics knowledge, method of validation, performance, data availability, and suitability for training and testing, cause-effect, entropy inference, and model fitting. The strategy is demonstrated through a pilot use case for the application of anomaly detection to capture a valve packing leak at the high-pressure coolant injection system of a nuclear power plant.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1992

A new approach to the digital redesign of continuous-time controllers

This paper presents a new method for digital redesign of both a continuous-time state-feedback control law and a cascaded analog controller. The concept of the Law of Mean from the integral calculus is utilized for the development of the equivalent digital controllers from the available analog controllers. A tuning parameter has been introduced into the digitally redesigned control gains so that the digitally controlled states will closely match the original continuous-time states. The proposed digital controllers give excellent performance.

Shieh, Leang-San↗
NASA NTRS2014

Range-Specific High-Resolution Mesoscale Model Setup: Data Assimilation

Mesoscale weather conditions can have an adverse effect on space launch, landing, and ground processing at the Eastern Range (ER) in Florida and Wallops Flight Facility (WFF) in Virginia. During summer, land-sea interactions across Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS) lead to sea breeze front formation, which can spawn deep convection that can hinder operations and endanger personnel and resources. Many other weak locally driven low-level boundaries and their interactions with the sea breeze front and each other can also initiate deep convection in the KSC/CCAFS area. Some of these other boundaries include the Indian River breeze front, Banana River breeze front, outflows from previous convection, horizontal convective rolls, convergence lines from other inland bodies of water such as Lake Okeechobee, the trailing convergence line from convergence of sea breeze fronts due to the shape of Cape Canaveral, frictional convergence lines from the islands in the Bahamas, convergence lines from soil moisture differences, convergence lines from cloud shading, and others. All these subtle weak boundary interactions often make forecasting of operationally important weather very difficult at KSC/CCAFS during the convective season (May-Oct). These convective processes often build quickly, last a short time (60 minutes or less), and occur over small distances, all of which also poses a significant challenge to the local forecasters who are responsible for issuing weather advisories, watches, and warnings. Surface winds during the transition seasons of spring and fall pose the most difficulties for the forecasters at WFF. They also encounter problems forecasting convective activity and temperature during those seasons. Therefore, accurate mesoscale model forecasts are needed to aid in their decision making. Both the ER and WFF would benefit greatly from high-resolution mesoscale model output to better forecast a variety of unique weather phenomena. Global and national scale models cannot properly resolve important local-scale weather features at each location due to their horizontal resolutions being much too coarse. Therefore, a properly tuned model at a high resolution is needed to provide improved capability. This task is a multi-year effort in which the Applied Meteorology Unit (AMU) will tune the Weather Research and Forecasting (WRF) model individually for each range. The goal of the first year, the results of which are in this report, was to tune the WRF model based on the best model resolution and run time while using reasonable computing capabilities. To accomplish this, the ER and WFF supported the tasking of the AMU to perform a number of sensitivity tests in order to determine the best model configuration for operational use at each of the ranges to best predict winds, precipitation, and temperature (Watson 2013). This task is a continuation of that work and will provide a recommended local data assimilation (DA) and numerical forecast model design optimized for the ER and WFF to support space launch activities. The model will be optimized for local weather challenges at both ranges.

Global and national scale models↗
NASA NTRSDate not supplied

Language Model For Earth Science: Exploring Potential Downstream Applications As Well As Current Challenges

The use of deep learning techniques to build transformer language models such as SciBERT and GPT3 have transformed the natural language technology (NLT) landscape. These new NLTs are being used in speech to text and vice versa, auto-mated text classification, sentiment analysis, topic modeling, text summarization, and cognitive assistants. While Earth science has no shortage of unstructured data such as journal and conference papers, little efforts have focused on harnessing NLTs for knowledge extraction and supporting the scientific process. This paper surveys the use of language models in different science. BERT-E, a new Earth science-specific language model, is presented. BERT-E is generated using a transfer learning solution. A language model that has already been trained for general Science (SciBERT) is fine-tuned using abstracts and full text extracted from various Earth science-related articles. A downstream keywords classification application is used for evaluation, and the use of BERT-E shows improved performance. The need to develop a robust set of benchmarks in evaluating the language model such as BERT-E is discussed. Finally, example applications are presented to inspire additional ideas for applications using domain-specific language models.

R Ramachandran↗
NASA NTRSDate not supplied

Adaptive Wavelength Scanning Lidar (AWSL) for 3D Mapping from Space

We present the design and performance of an adaptive wavelength scanning lidar (AWSL) for highly efficient mapping from low Earth orbit (LEO). Mapping is accomplished by steering a laser beam across 1,200 resolvable spots using wavelength tuning and grating dispersion. Any subset of these 1,200 spots can be selected by wavelength switching. The design is validated with an 1550-nm prototype using a fast wavelength-tuned (500-kHz) pulsed (2-ns) fiber laser with the beam dispersed by gratings for beam steering. Reflected pulses are detected with an eight-pixel detector array with single-photon sensitivity. Eight lidar returns are time-multiplexed to one output that is digitized with a single 1-GSPS-digitizer, to save power. A grating spectrometer rejects solar background noise spatially and spectrally, and images laser footprints on to the detector array. The gratings retain the fiber laser beam quality. We are developing a 1030-nm AWSL intended for a LEO SmallSat platform.

Guangning Yang↗
DOE OSTI2020

Low Level Calibration of Liquid Scintillation Counting

Liquid Scintillation Counting (LSC) is an analytical laboratory method that quantifies the concentrations of alpha and beta emitting isotopes. The LSC method can be utilized for the detection of tritium, both environmentally and at nuclear facilities. Most LSC samples are aqueous-based and prepared as a radioactive sample dissolved or suspended in a high efficiency scintillation cocktail that converts radioactive energy into light pulses. When placed in counting vials, the liquid scintillation cocktail allows for optical coupling in which energy is released from the samples radioactive decay, and transferred to the scintillator. That energy is then absorbed to produce excited electrons that fall back to their ground-state and emit a pulse of light that is detected by the liquid scintillation analyzers photomultiplier tubes. Quench is a signal attenuation due to physical, chemical, or color interferences. To compensate for quench, quench standards of a known concentration are implemented at increasing increments of quench per vial to create a quench curve. Quench standards can be purchased pre-made or customized from the manufacturer, however, there are several issues that arise from purchasing the pre-made quench standards. The main issues with ordering pre-made quench standards is that they use higher count values, between 30,000 and 250,000 disintegrations per minute (dpm) of tritium per vial and only come in glass vials. Using higher counting standards in glass vials makes it hard to see lower concentrations in plastic vials. Additionally, when using higher energy standards the accuracy of the calibration readings tend to be lower. On the other hand, making a set of quench standards in-house allows for the customization of the dpm concentration to roughly 1,500-3,000 and preparation in plastic vials. This allows for lower activity readings that results in closer precision of the samples' true concentration. Technical Objectives: Create a quench curve and calibrate the LSA for tritium. Verify the calibration of the quench curve prior to cross sample runs. Check calibration against Quality Control (QC) reference value. Conclusion: a tritium quench curve calibration was performed using a scintillation cocktail with ultima gold (AB and AB/F), acetone (only with AB), and water (only with AB/F). By performing the tritium quench curve calibration, the counting efficiency was correlated to various levels of quench. Calibration checks with quality control standards were also performed to verify that the calibration was correct. The observed results provided acceptable values that matched the quality control standard reference values with an acceptable uncertainty. The next step will be fine tuning and cross comparison checks with legacy instrumentation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Optics tuning of the FCC-ee

The Future Circular Collider, FCC-ee, is a proposed next generation electron-positron collider aiming to provide large luminosities at beam energies from 45.6 up to 182.5 GeV. This collider faces a major challenge to deliver the design performance in the presence of realistic lattice errors. A commissioning strategy has been developed including dedicated optics designs, efficient beam-based alignment and optics corrections based on refined optics measurements. First specifications on main magnets, corrector circuits, and instrumentation have also been investigated. A summary of all these aspects is presented in this paper.

Tomas, Rogelio [CERN]↗
DOE OSTI2021

Tuned oscillator atomic force microscopy methods and apparatus

Techniques for operating an atomic force microscope, the atomic force microscope comprising a cantilever and configured to image a surface of a sample using a probe tip coupled to the cantilever, the techniques comprising using a controller to perform: obtaining, based on at least one intrinsic parameter of the cantilever, a first quality factor and a first free oscillation amplitude, wherein the cantilever exhibits only one stable oscillation state when oscillating at the first free oscillation amplitude and operating at the first quality factor; and controlling the cantilever to exhibit the only one stable oscillation state by controlling the cantilever to oscillate at a fixed frequency at or near a resonance frequency of the cantilever, oscillate at the first free oscillation amplitude, and operate at the first quality factor.

Schwarz, Udo↗