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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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Dose and dose rate effects on the microstructural and mechanical stability of long-range ordered precipitates in Inconel 718
Nickel-based alloys offer exceptional mechanical properties and corrosion resistance for various applications in extreme environments such as high neutron flux, temperature, and stress. Precipitates, resulting from thermal treatments, increase the strength and creep resistance of these alloys. Here, heavy ion irradiation is shown to destabilize the γ' and γ" precipitates in Inconel 718 nickel-based alloy by disordering and dissolution processes. Transmission electron microscopy and atom probe tomography reveal that the disordering and dissolution rates of the precipitates are proportional to both irradiation dose and dose rate. Irradiation induced disordering occurs at a higher rate than the dissolution. From analyzing the hardening contributions, microscale mechanical results suggest radiation-induced disordering is responsible for the majority of the softening response at low dose. In addition, low dose radiation-induced disordering results in strain localization and is believed to be the primary cause for the drastic degradation of uniform elongation and toughness in irradiated Inconel 718.
Automated co-adding and energy calibration of large array microcalorimeter data with zero sample knowledge
State-of-the-art microcalorimeter spectrometers now contain large detector arrays with hundreds of individual pixels. Each individual pixel outputs a unique and non-linear response with respect to deposited energy. This work describes a pattern-recognition algorithm to combine these responses into a single energy-calibrated histogram, referred to as co-adding pixels. Photo-peaks from different pixels are matched together based upon how well the match aligns the centroids and heights of neighboring peaks. This usually results in around 100 co-adding calibration points from 30 to 300 keV for a several day acquisition of plutonium items with masses between 0.5 and 10 grams. An additional algorithm energy-calibrates this co-added spectrum using the fluoresced K x-ray emissions from a tantalum absorber and inherent x-ray escape peaks from the tin absorbers. Both algorithms operate without knowledge of the source and are fully automated. This work presents results from the acquisitions of high and low burnup plutonium, 10% enriched uranium, a 153 Gd calibration source, and a 57 Co+ 166m Ho calibration source. In all measurements, resolution defined as the full-width at half-maximum (FWHM) of photo-peaks is preserved between the individual pixel and co-added spectra at around 65 eV for incident photon energies between 60 and 208 keV. The energy calibration algorithm is approximate and yields a calibration curve off by an average of around 200 eV for incident photon energies between 60 and 208 keV.
Improved plutonium and americium photon branching ratios from microcalorimeter gamma spectroscopy
Photon branching ratios are critical input data for activities such as nuclear materials protection and accounting because they allow material compositions to be extracted from measurements of gamma-ray intensities. Uncertainties in these branching ratios are often a limiting source of uncertainty in composition determination. Here, we use high statistics, high resolution - (60–70 eV full-width-at-half-maximum at 100 keV) gamma-ray spectra acquired using microcalorimeter sensors to substantially reduce the uncertainties for 11 plutonium ( 238 Pu, 239 Pu, 241 Pu) and 241 Am branching ratios important for material control and accountability and nuclear forensics in the energy range of 125 keV to 208 keV. Lastly, we show a reduction in uncertainty of over a factor of three for one branching ratio and a factor of 2–3 for four branching ratios.
Uranium measurements in the field using high-resolution cadmium zinc telluride detectors
A new generation of cadmium zinc telluride (CZT) detectors has become available and is being evaluated by the International Atomic Energy Agency (IAEA) for safeguards verifications in the field. The new CZT detector, model M400, is a room temperature spectrometer manufactured by H3D, Inc. The M400 demonstrates superior energy resolution, effective isotope identification capabilities, and convenient usability features when tested in a controlled laboratory environment. These characteristics define the M400 as a potential platform for IAEA field detection applications, which could become suitable for nuclear material characterization (e.g., enrichment verification) and nuclear safeguards missions. The capabilities of gamma spectrometry codes including Fixed energy, Response function Analysis with Multiple efficiencies (FRAM) from Los Alamos National Laboratory, CZT for Uranium (CZTU) from Lawrence Livermore National Laboratory, and Gamma Detector Response and Analysis Software (GADRAS) from Sandia National Laboratories were adapted for M400 spectra, and the performance of the codes has been validated. This was reported in a prior work. To further validate the performance of the high-energy resolution CZT detector and the isotopic analysis codes, a field measurement campaign consisting of uranium hexafluoride (UF 6 ) cylinder measurements was conducted at a fuel fabrication facility. A total of 34 Type 30B cylinders containing UF6 were measured using three different M400 CZT detectors. Each detector was outfitted with a custom rectangular collimator and shield made out T-Flex®, a tungsten-impregnated polymer. Measurements were performed at three different locations of the cylinder, ensuring that the measurement geometry satisfied the infinite thickness criterion. The spectra from the M400 CZT were analyzed using the code General Enrichment Meter (GEM). For analyzing the gamma-ray spectra from UF 6 cylinder, the GEM code is the appropriate tool since it relies only on the gamma-ray emissions from 235 U and not from other isotopes. Results from the spectral analysis were compared with the known abundance of 235 U in the cylinders, as well as with the International Target Values 2020 (ITV2020). The suitability of the different underlying techniques used by the various codes for UF 6 analysis is discussed. The challenges of measuring UF 6 contained in cylinders and mitigation strategies are highlighted.
Sensitive search for near-symmetric and super-asymmetric fusion-fission of the superheavy element Flerovium (Z=114)
Measurements of mass and angular distributions have been made for fission-like outcomes in reactions forming isotopes of flerovium (Z=114), using 48 Ca, 50 Ti, and 54 Cr projectiles. The dominant fast quasifission process, which masks the presence of fusion-fission, has minimum yield at the most backward angles, where the sensitivity to fusion-fission is thus highest. In fitting the backward angle mass spectra, only weak evidence for a component of super-asymmetric fission was found, but a near-symmetric fission component was consistently required for the 48 Ca + 244 Pu reaction, giving upper limit to the fusion probabilities P CN of ~10 -2 , ~5 times lower than previous results. P CN for the 50 Ti reaction was lower than 48 Ca, whilst no evidence of fusion-fission was found for the 54 Cr reaction.
Ultrafine-grained Al-Mg-Zr Alloy Processed by Shear-Assisted Extrusion with High Thermal Stability
Shear-assisted processing and extrusion (ShAPE) is used to consolidate Al-4.2Mg-1.6Zr-0.25Si-0.1Fe (wt.%) powders. The extruded alloy exhibits: (i) near-zero porosity; (ii) an attractive combination of tensile yield strength (~220 MPa), ultimate strength (330 MPa) and elongation (>20%); and (iii) excellent thermal stability at 400 ºC. The ultra-fine grain size in the gas-atomized powders – created and stabilized by primary L12-Al3Zr submicron precipitates - is maintained after consolidation and subsequent exposure at 400 ºC, contributing twice as much to strength as Mg in solid-solution. Electron microscopy reveals the microstructure of the L12-Al3Zr precipitates, and other precipitates (Mg2Si and Al3Fe) and dispersoids (oxides).
Associating GB Characteristics with its Sink Efficiency in Absorbing Frank Loops in Cu
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High temperature fracture toughness of single-layer CrAlN and CrAlSiN hard coatings
Hardness and toughness are among of the most important physical properties of hard coatings and it is important to analyze them at temperatures present during coating applications. CrAlN and CrAlSiN are hard coating materials frequently used in high temperature applications. Here, while both possess high oxidation resistance and thermal stability, they differ in their microstructure. In this work, the fracture toughness of magnetron-sputtered single-layer CrAlN and CrAlSiN hard coatings was determined up to 700 °C by in-situ scanning electron microscopy micro-cantilever deflection tests. The results show a decreasing trend of the fracture toughness with increasing temperature. While both coatings' fracture toughness trends are similar up to 400 °C, they diverge at higher temperatures. In general, the evolution of the fracture toughness with increasing temperature shows similarities to the observed changes in hardness in the same temperature range.
Stresses within rare-earth doped yttria-stabilized zirconia thermal barrier coatings from in-situ synchrotron X-ray diffraction at high temperatures
There is a growing interest for smart coatings that can be integrated into turbine engines for in-situ temperature measurements or health monitoring. The addition of rare-earth dopants into standard thermal barrier ceramic top coat materials is used to obtain luminescent coatings that enable spectral measurements, for real-time temperature or health monitoring. The thermomechanical performance and durability of such novel coating compositions in extreme environments still remains to be evaluated. Consequently, the ability to manufacture sensor coatings which present suitable thermal properties needs to be demonstrated. For this study, highly luminescent erbium and europium doped yttria-stabilized zirconia and state-of-the-art yttria-stabilized zirconia coatings manufactured by air plasma spray were characterized to determine the effects of the embedded rareearth dopants on coating internal strain and stress and to quantify and compare their high temperature response using synchrotron X-ray diffraction. In-situ depth-resolved strain measurements were performed at 15 μm intervals along the depth of the coatings to evaluate materials response at key locations, specifically at layer interfaces. In-plane stress was calculated for the coatings and a finite element model was implemented to supplement the results and enable further predictions. The results show that the sensor coatings that were manufactured in this work revealed only minor variations in the strain response of sensor coatings under a typical thermal cycle and especially at temperatures closer to that of gas turbine operating conditions, compared to state-of-the-art coatings. This work demonstrates the viability of manufacturing rare-earth doped yttria-stabilized zirconia coatings that provide beneficial spectroscopic monitoring capabilities while having minimal impact on the thermomechanical response of the thermal barrier coatings.
Exploring strain rate effects upon 3D materials using high speed in situ X-ray tomoscopy
Cellular materials are ubiquitous in our modern society. They may be stochastic gas-blown foams (e.g., polyurethane), foamed starches (e.g., cereals), or, in this case, 3D printed microlattices. Failure in these materials is often driven by surface or sub-surface defects, which may be nucleated at a surface roughness, an interior void, or inclusion interfaces that may not be typically observable. Obfuscating our understanding further, bulk materials are known to exhibit strain-rate-dependent mechanical response, making a subsurface understanding of damage even more critical. For the first time, an in situ uniaxial mechanical loading stage that simultaneously rotates specimens up to 18 Hz was fielded at a synchrotron for 3D tomographic imaging. This capability opens a plethora of materials science opportunities to explore strain rate effects in materials and examining deformation, fracture, and delamination’s (in composites) for a complete 3D picture (movie) of material response. We demonstrate the deformation of 3D printed polymer lattice structures, of three different material types, at 0.25, 1.1, and 2.2 s −1 strain rates. We successfully imaged the 3D deformation of these materials and can directly compare the same printed structure to the three material types at three strain rates, all in 3D. Material point method simulations were applied to one of the materials to better understand the role of voids on the 3D printed structure’s performance.
Circular dichroism in hard X-ray photoelectron diffraction observed by time-of-flight momentum microscopy
X-ray photoelectron diffraction (XPD) is a powerful technique that yields detailed structural information of solids and thin films that complements electronic structure measurements. Among the strongholds of XPD we can identify dopant sites, track structural phase transitions, and perform holographic reconstruction. High-resolution imaging of k ll -distributions (momentum microscopy) presents a new approach to core-level photoemission. It yields full-field k x -k y XPD patterns with unprecedented acquisition speed and richness in details. Here, we show that beyond the pure diffraction information, XPD patterns exhibit pronounced circular dichroism in the angular distribution (CDAD) with asymmetries up to 80%, alongside with rapid variations on a small k ll -scale (0.1 Å -1 ). Measurements with circularly-polarized hard X-rays (hν = 6 keV) for a number of core levels, including Si, Ge, Mo and W, prove that core-level CDAD is a general phenomenon that is independent of atomic number. The fine structure in CDAD is more pronounced compared to the corresponding intensity patterns. Additionally, they obey the same symmetry rules as found for atomic and molecular species, and valence bands. Further, the CD is antisymmetric with respect to the mirror planes of the crystal, whose signatures are sharp zero lines. Calculations using both the Bloch-wave approach and one-step photoemission reveal the origin of the fine structure that represents the signature of Kikuchi diffraction. To disentangle the roles of photoexcitation and diffraction, XPD has been implemented into the Munich SPRKKR package to unify the one-step model of photoemission and multiple scattering theory.
Genome editing in the mouse brain with minimally immunogenic Cas9 RNPs
Transient delivery of CRISPR-Cas9 ribonucleoproteins (RNPs) into the central nervous system (CNS) for therapeutic genome editing could avoid limitations of viral vector-based delivery including cargo capacity, immunogenicity, and cost. Here, we tested the ability of cell-penetrant Cas9 RNPs to edit the mouse striatum when introduced using a convection-enhanced delivery system. These transient Cas9 RNPs showed comparable editing of neurons and reduced adaptive immune responses relative to one formulation of Cas9 delivered using AAV serotype 9. The production of ultra-low endotoxin Cas9 protein manufactured at scale further improved innate immunity. We conclude that injection-based delivery of minimally immunogenic CRISPR genome editing RNPs into the CNS provides a valuable alternative to virus-mediated genome editing.
Predicting the onset of metal-insulator transitions in transition metal oxides-A first step in designing neuromorphic devices.
Several transition metal oxides, including La1-xSrxCoO3, are promising materials to realize resistive switching devices for neuromorphic applications, as they can undergo a metal-to-insulator transition (MIT) upon small perturbations to their electronic structure. Here, we focus on the MIT induced by varying the oxygen vacancy concentration, and we propose a model to predict the required electrical bias, based on three fundamental quantities: the vacancy formation energy, the permanent polarization in the material, and its dielectric constant. We obtain these quantities using first-principles electronic structure calculations, and we discuss strategies to minimize the electrical bias which may be adopted experimentally to design and optimize neuromorphic devices.
Effects of Chlorine Mixing on Optoelectronics, Ion Migration, and Gamma-Ray Detection in Bromide Perovskites
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Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity agains
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