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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Nanoscale Mass Spectrometry Multimodal Imaging via Tip-Enhanced Photothermal Desorption

Materials ranging from adhesives, pharmaceuticals, lubricants, and personal care products are traditionally studied using macroscopic characterization techniques. However, their functionality is in reality defined by details of chemical organization on often noncrystalline matter with characteristic length scales on the order of microns to nanometers. Additionally, these materials are traditionally difficult to analyze using standard vacuum-based approaches that provide nanoscale chemical characterization due to their volatile and beam-sensitive nature. Therefore, approaches that operate under ambient conditions need to be developed that allow probing of nanoscale chemical phenomena and correlated functionality. Here, we demonstrate a tool for probing and visualizing local chemical environments and correlating them to material structure and functionality using advanced multimodal chemical imaging on a combined atomic force microscopy (AFM) and mass spectrometry (MS) system using tip-enhanced photothermal desorption with atmospheric pressure chemical ionization (APCI). We demonstrate enhanced performance metrics of the technique for correlated imaging and point sampling and illustrate the applicability for the analysis of trace chemicals on a human hair, additives in adhesives on paper, and pharmaceuticals samples notoriously difficult to analyze in a vacuum environment. Overall, this approach of correlating local chemical environments to structure and functionality is key to advancing research in many fields ranging from biology, to medicine, to material science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Self-driving laboratories to autonomously navigate the protein fitness landscape

Abstract Protein engineering has nearly limitless applications across chemistry, energy and medicine, but creating new proteins with improved or novel functions remains slow, labor-intensive and inefficient. Here we present the Self-driving Autonomous Machines for Protein Landscape Exploration (SAMPLE) platform for fully autonomous protein engineering. SAMPLE is driven by an intelligent agent that learns protein sequence–function relationships, designs new proteins and sends designs to a fully automated robotic system that experimentally tests the designed proteins and provides feedback to improve the agent’s understanding of the system. We deploy four SAMPLE agents with the goal of engineering glycoside hydrolase enzymes with enhanced thermal tolerance. Despite showing individual differences in their search behavior, all four agents quickly converge on thermostable enzymes. Self-driving laboratories automate and accelerate the scientific discovery process and hold great potential for the fields of protein engineering and synthetic biology.

Rapp, Jacob T. (ORCID:0000000226835204)↗
DOE OSTI2014

Low temperature diffusion process using rare earth-Cu eutectic alloys for hot-deformed Nd-Fe-B bulk magnets

The low temperature grain boundary diffusion process using RE{sub 70}Cu{sub 30} (RE = Pr, Nd) eutectic alloy powders was applied to sintered and hot-deformed Nd-Fe-B bulk magnets. Although only marginal coercivity increase was observed in sintered magnets, a substantial enhancement in coercivity was observed when the process was applied to hot-deformed anisotropic bulk magnets. Using Pr{sub 70}Cu{sub 30} eutectic alloy as a diffusion source, the coercivity was enhanced from 1.65 T to 2.56 T. The hot-deformed sample expanded along c-axis direction only after the diffusion process as RE rich intergranular layers parallel to the broad surface of the Nd{sub 2}Fe{sub 14}B are thickened in the c-axis direction.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Terahertz quantum well photodetectors with reflection-grating couplers

The design, fabrication, and characterization of terahertz (THz) quantum well photodetectors with one-dimensional reflection-grating coupler are presented. It is found that the reflection gratings could effectively couple the THz waves normally incident to the device. Compared with the 45-degree facet sample, the peak responsivity of this grating-coupled detector is enhanced by over 20%. The effects of the gratings on the photocurrent spectra are also analyzed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Cadmium zinc telluride based infrared interferometry for X-ray detection

Cadmium Zinc Telluride (CZT) is a wide band gap semiconductor for room temperature radiation detection. The electro-optic Pockels effect of the material has been exploited in the past to study electric field non-uniformities and their consequence on conventional detector signals in CZT, by imaging the intensity distribution of infrared (IR) light transmitted through a device placed between crossed polarizers. Recently, quantitative monitoring of extremely high intensity neutron pulses through the change of transmitted IR intensity was demonstrated, offering the advantage to place sensitive electronics outside the measured radiation field. In this work, we demonstrate that X-ray intensity can be deduced directly from measuring the change in phase of 1550 nm laser light transmitted through a 7 × 7 × 2 mm{sup 3} CZT based Pockels cell in a simple Mach Zehnder interferometer. X-rays produced by a 50 kVp Mo X-ray tube incident on the CZT cathode surface placed at 7 mm distance cause a linearly increasing phase shift above 0.3 mA tube current, with 1.58 ± 0.02 rad per mA for an applied bias of 500 V across the 2 mm thick device. Pockels images confirm that the sample properties are in agreement with the literature, exhibiting electric field enhancement near the cathode under irradiation, which may cause the non-linearity at low X-ray tube anode current settings. The laser used to probe the X-ray intensity causes itself some space charge, whose spatial distribution does not seem to be exclusively determined by the incident laser position, i.e., charge carrier generation location, with respect to the electrodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Influence of interface potential on the effective mass in Ge nanostructures

The role of the interface potential on the effective mass of charge carriers is elucidated in this work. We develop a new theoretical formalism using a spatially dependent effective mass that is related to the magnitude of the interface potential. Using this formalism, we studied Ge quantum dots (QDs) formed by plasma enhanced chemical vapour deposition (PECVD) and co-sputtering (sputter). These samples allowed us to isolate important consequences arising from differences in the interface potential. We found that for a higher interface potential, as in the case of PECVD QDs, there is a larger reduction in the effective mass, which increases the confinement energy with respect to the sputter sample. We further understood the action of O interface states by comparing our results with Ge QDs grown by molecular beam epitaxy. It is found that the O states can suppress the influence of the interface potential. From our theoretical formalism, we determine the length scale over which the interface potential influences the effective mass.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

High vacuum tip-enhanced Raman spectroscope based on a scanning tunneling microscope

In this paper, we present the construction of a high-vacuum tip-enhanced Raman spectroscopy (HV-TERS) system that allows in situ sample preparation and measurement. A detailed description of the prototype instrument is presented with experimental validation of its use and novel ex situ experimental results using the HV-TERS system. The HV-TERS system includes three chambers held under a 10{sup −7} Pa vacuum. The three chambers are an analysis chamber, a sample preparation chamber, and a fast loading chamber. The analysis chamber is the core chamber and contains a scanning tunneling microscope (STM) and a Raman detector coupled with a 50 × 0.5 numerical aperture objective. The sample preparation chamber is used to produce single-crystalline metal and sub-monolayer molecular films by molecular beam epitaxy. The fast loading chamber allows ex situ preparation of samples for HV-TERS analysis. Atomic resolution can be achieved by the STM on highly ordered pyrolytic graphite. We demonstrate the measurement of localized temperature using the Stokes and anti-Stokes TERS signals from a monolayer of 1,2-benzenedithiol on a gold film using a gold tip. Additionally, plasmonic catalysis can be monitored label-free at the nanoscale using our device. Moreover, the HV-TERS experiments show simultaneously activated infrared and Raman vibrational modes, Fermi resonance, and some other non-linear effects that are not observed in atmospheric TERS experiments. The high spatial and spectral resolution and pure environment of high vacuum are beneficial for basic surface studies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Transport and photo-conduction in carbon nanotube fibers

We have characterized the conductivity of carbon nanotube (CNT) fibers enriched in semiconducting species as a function of temperature and pulsed laser irradiation of 266 nm wavelength. At high temperatures, the response approaches Arrhenius law behavior, but from room temperature down to 4.2 K, the response can be quantitatively framed within the predictions of the fluctuation induced tunneling model, with tunneling occurring between the inner fibrils (bundles) of the samples and/or the elementary CNTs constituting the fibers. Fiber conductivity is enhanced under laser irradiation, and analysis of the resulting data confirms the (exponential) dependence of the potential barrier upon temperature as expected from the fluctuation induced tunneling model. A thermal map of the laser-irradiated fibers is also obtained via COMSOL simulations in order to rule out bare heating phenomena as the background of our experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Substrate-enhanced photothermal nano-imaging of surface polaritons in monolayer graphene

Surface polaritons comprise a wealth of light–matter interactions with deep sub-wavelength scale confinement of electromagnetic modes. However, their nanoscale localized dissipation and thermalization processes are not readily accessible experimentally. Here, we introduce photothermal force microscopy to image surface plasmon polaritons (SPPs) in monolayer graphene through their non-radiative SiO2 substrate dissipation. We demonstrate the real-space SPP imaging via photo-induced atomic force detection, and from comparison with scattering-type scanning near-field optical microscopy imaging attribute the force response to substrate dissipation-enhanced thermal expansion. This work illustrates that nano-optical tip–sample induced dissipative forces facilitate a direct mechanical detection of surface polariton interactions with monolayer sensitivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

DARK MATTER SUBSTRUCTURE DETECTION USING SPATIALLY RESOLVED SPECTROSCOPY OF LENSED DUSTY GALAXIES

We investigate how strong lensing of dusty, star-forming galaxies (DSFGs) by foreground galaxies can be used as a probe of dark matter halo substructure. We find that spatially resolved spectroscopy of lensed sources allows dramatic improvements to measurements of lens parameters. In particular, we find that modeling of the full, three-dimensional (angular position and radial velocity) data can significantly facilitate substructure detection, increasing the sensitivity of observables to lower mass subhalos. We carry out simulations of lensed dusty sources observed by early ALMA (Cycle 1) and use a Fisher matrix analysis to study the parameter degeneracies and mass detection limits of this method. We find that even with conservative assumptions, it is possible to detect galactic dark matter subhalos of {approx}10{sup 8} M{sub Sun} with high significance in most lensed DSFGs. Specifically, we find that in typical DSFG lenses, there is a {approx}55% probability of detecting a substructure with M > 10{sup 8} M{sub Sun} with more than 5{sigma} detection significance in each lens, if the abundance of substructure is consistent with previous lensing results. The full ALMA array, with its significantly enhanced sensitivity and resolution, should improve these estimates considerably. Given the sample of {approx}100 lenses provided by surveys such as the South Pole Telescope, our understanding of dark matter substructure in typical galaxy halos is poised to improve dramatically over the next few years.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Evidence of incomplete annealing at 800 °C and the effects of 120 °C baking on the crystal orientation and the surface superconducting properties of cold-worked and chemically polished Nb

High-purity niobium rods were cold-worked by wire-drawing, followed by various combinations of chemical polishing and high-vacuum baking at 120 °C or annealing at 800 °C in order to better understand changes to the surface superconducting properties resulting from typical superconducting radio-frequency cavity processing. AC susceptibility measurements revealed an enhanced upper transition T c at ~ 9.3–9.4 K in all samples that was stable through all annealing steps, a value significantly above the accepted T c of 9.23 K for pure annealed niobium. Corresponding elevations were seen in the critical fields, the ratio of the surface critical field H c3 to the bulk upper critical field H c2 rising to 2.3, well above the Ginzburg–Landau value of 1.695. Orientation imaging revealed an extensive dislocation rich sub-grain structure in the as-drawn rods, a small reduction of the surface strain after baking at 120 °C, and a substantial but incomplete recrystallization near the surface after annealing at 800 °C. We interpret these changes in surface superconducting and structural properties to extensive changes in the near-surface interstitial contamination produced by baking and annealing and to synergistic interactions between H and surface O introduced during electropolishing and buffered chemical polishing.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sensitivity analysis towards trace-uranium detection with γ-γ coincidence NAA

An improved approach for detection of trace amounts of 238 U by means of neutron activation analysis (NAA) is presented. The analysis enhancement is obtained by utilizing γ-γ coincidence counting. An empirical method for evaluating the sensitivity gain in the presence of a large source-related background is presented. A comparison of detection limits is made between two counting schemes; namely, counting single gammas using one HPGe detector versus counting coincident gammas using two HPGe detectors placed face-to-face. Furthermore, a data-validated radiation transport model, created in GEANT4 for a single HPGe detector, is extended to handle the two detector setup. In this counting scheme, a 238 U-detection sensitivity enhancement of about a factor of 8 is predicted for a sample of Saint-Gobain G3 Sapphire when compared to the simpler singles counting approach.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Enabling direct nanoscale observations of biological reactions with dynamic TEM

Biological processes can occur over a wide range of spatial and temporal scales; from femtoseconds to hours and from angstroms to meters. Although no single experimental method can fully cover this entire phase space, many new biological insights can be expected from a better understanding of the processes that occur on the very fast timescales and very small length scales. In this regard, new instruments that use fast x-ray or electron pulses are now available that are expected to reveal new mechanistic insights for macromolecular protein dynamics. To ensure that any observed conformational change is physiologically relevant and not constrained by three-dimensional crystal packing, it would be preferable for experiments to utilize smaller protein samples such as single particles or two-dimensional crystals that mimic the target protein’s native environment. These samples aren’t typically amenable to x-ray analysis, but transmission electron microscopy has successfully imaged such sample geometries for over 40 years and permits data acquisition using both direct imaging and diffraction modes. While conventional transmission electron microscopes (TEM) have only visualized biological samples with atomic resolution in an arrested or frozen state, the recent development of the dynamic TEM (DTEM) extends electron microscopy capabilities into dynamics. A new 2nd generation DTEM that is currently being constructed has the potential to observe live biological processes with unprecedented spatiotemporal resolution by using pulsed electron packets to probe the sample on the micro- and nanosecond timescale. In addition to the enhanced temporal resolution, the DTEM also operates in the pump-probe regime that can permit visualizing reactions propagating in real-time. This article reviews the experimental parameters necessary for coupling DTEM with in situ liquid microscopy to allow direct imaging of protein conformational dynamics in a fully hydrated environment.

Dynamic TEM↗
DOE OSTI2018

Coexistence of superconductivity and short-range double-stripe spin correlations in Te-vapor annealed FeTe 1 - x Se x ( x ≤ 0.2 )

In as-grown bulk crystals of Fe 1+y Te 1–x Se x with x ≲ 0.3, excess Fe (y > 0) is inevitable and correlates with a suppression of superconductivity. At the same time, t here remains the question as to whether the character of the antiferromagnetic correlations associated wi th the enhanced anion height above the Fe planes in Te-rich samples is compatible with superconductivity. To t est this, we have annealed as-grown crystals with x = 0.1 and 0.2 in Te vapor, effectively reducing the excess Fe and in ducing bulk superconductivity. Inelastic neutron scattering measurements reveal low-energy magnet ic excitations consistent with short-range correlations of the double-stripe type; nevertheless, cooling int o the superconducting state results in a spin gap and a spin resonance, with the extra signal in the resonance being short-range with a mixed single-stripe/double-stripe character, which is different than other iron-based superconductors. In conclusion, the mixed magnetic character of these superconducting samples does not appear to be trivially explainable by inhomogeneity.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Monte Carlo computed machine-specific correction factors for reference dosimetry of TomoTherapy static beam for several ion chambers

Purpose: To determine k{sub Q{sub m{sub s{sub r,Q{sub o}{sup f{sub m}{sub s}{sub r},f{sub o}}}}}} correction factors for machine-specific reference (msr) conditions by Monte Carlo (MC) simulations for reference dosimetry of TomoTherapy static beams for ion chambers Exradin A1SL, A12; PTW 30006, 31010 Semiflex, 31014 PinPoint, 31018 microLion; NE 2571. Methods: For the calibration of TomoTherapy units, reference conditions specified in current codes of practice like IAEA/TRS-398 and AAPM/TG-51 cannot be realized. To cope with this issue, Alfonso et al. [Med. Phys. 35, 5179-5186 (2008)] described a new formalism introducing msr factors k{sub Q{sub m{sub s{sub r,Q{sub o}{sup f{sub m}{sub s}{sub r},f{sub o}}}}}} for reference dosimetry, applicable to static TomoTherapy beams. In this study, those factors were computed directly using MC simulations for Q{sub 0} corresponding to a simplified {sup 60}Co beam in TRS-398 reference conditions (at 10 cm depth). The msr conditions were a 10 Multiplication-Sign 5 cm{sup 2} TomoTherapy beam, source-surface distance of 85 cm and 10 cm depth. The chambers were modeled according to technical drawings using the egs++ package and the MC simulations were run with the egs{sub c}hamber user code. Phase-space files used as the source input were produced using PENELOPE after simulation of a simplified {sup 60}Co beam and the TomoTherapy treatment head modeled according to technical drawings. Correlated sampling, intermediate phase-space storage, and photon cross-section enhancement variance reduction techniques were used. The simulations were stopped when the combined standard uncertainty was below 0.2%. Results: Computed k{sub Q{sub m{sub s{sub r,Q{sub o}{sup f{sub m}{sub s}{sub r},f{sub o}}}}}} values were all close to one, in a range from 0.991 for the PinPoint chamber to 1.000 for the Exradin A12 with a statistical uncertainty below 0.2%. Considering a beam quality Q defined as the TPR{sub 20,10} for a 6 MV Elekta photon beam (0.661), the additional correction k{sub Q{sub m{sub s{sub r{sub ,Q}{sup f{sub m}{sub s}{sub r}{sub ,}f{sub r}{sub e}{sub f}}}}}} to k{sub Q,Q{sub o}} defined in Alfonso et al. [Med. Phys. 35, 5179-5186 (2008)] formalism was in a range from 0.997 to 1.004.Conclusion: The MC computed factors in this study are in agreement with measured factors for chamber types already studied in literature. This work provides msr correction factors for additional chambers used in reference dosimetry. All of them were close to one (within 1%).

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2022

Spatiotemporal sampling of near-petahertz vortex fields

Measuring the field of visible light with high spatial resolution has been challenging, as many established methods only detect a focus-averaged signal. Here, we introduce a near-field method for optical field sampling that overcomes that limitation by employing the localization of the enhanced near-field of a nanometric needle tip. A probe field perturbs the photoemission from the tip, which is induced by a pump pulse, generating a field-dependent current modulation that can easily be captured with our electronic detection scheme. The approach provides reliable characterization of near-petahertz fields. We show that not only the spiral wavefront of visible femtosecond light pulses carrying orbital angular momentum (OAM) can be resolved but also the field evolution with time in the focal plane. Additionally, our method is polarization sensitive, which makes it applicable to vectorial field reconstruction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

An effective “three-in-one” screening assay for testing drug and nanoparticle toxicity in human endothelial cells

Evaluating nanoparticle (NP) toxicity in human cell systems is a fundamental requirement for future NP biomedical applications. In this study, we have designed a screening assay for assessing different types of cell death induced by NPs in human umbilical vein endothelial cell (HUVEC) culture. This assay consists of WST-8, LDH and Hoechst 33342 staining, all performed in one well, which enables an evaluation of cell viability, necrosis and apoptosis, respectively, in the same cell sample. The 96-well format and automated processing of fluorescent images enhances the assay rapidity and reproducibility. After testing the assay functionality with agents that induced different types of cell death, we investigated the endothelial toxicity of superparamagnetic iron oxide nanoparticles (SPIONs, 8 nm), silica nanoparticles (SiNPs, 7–14 nm) and carboxylated multiwall carbon nanotubes (CNTCOOHs, 60 nm). Our results indicated that all the tested NP types induced decreases in cell viability after 24 hours at a concentration of 100 μg/ml. SPIONs caused the lowest toxicity in HUVECs. By contrast, SiNPs induced pronounced necrosis and apoptosis. A time course experiment showed the gradual toxic effect of all the tested NPs. CNTCOOHs inhibited tetrazolium derivatives at 100 μg/ml, causing false negative results from the WST-8 and LDH assay. In summary, our data demonstrate that the presented “three-in-one” screening assay is capable of evaluating NP toxicity effectively and reliably. Due to its simultaneous utilization of two different methods to assess cell viability, this assay is also capable of revealing, if NPs interfere with tetrazolium salts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Assessment of the propensity of low creep ductility for optimized Grade 92 steel

A total of twenty-five optimized Grade 92 (Opt.G92) samples were tested at 550, 600, and 650°C in air with stresses ranging from 90 to 280 MPa. Two types of Opt.G92 heats were studied in this work, with one type only fabricated by vacuum induction melting (VIM) and the other type by both VIM and electro-slag remelting (VIM+ESR). All the samples were in the as-received thermomechanical treatment (TMT) condition, except for one sample in the re-normalized and tempered (Re-N&T) condition. Three of the samples are still running, with the longest test time >39,863 h at 550°C. In general, the creep-ruptured samples exhibited consistently superior creep resistance, in terms of longer time to rupture, higher creep strength, and lower minimum creep rate, compared to Grades 92 and 91. For example, Opt.G92 with TMT increased creep strength by ~50 and ~60 MPa with minimum creep rate about two orders of magnitude lower than P92 and P91, respectively, at 550°C. The ongoing test of the Opt.G92 sample in the Re-N&T condition also showed significant enhancement in creep resistance. Although the enhancement in creep resistance of Opt.G92 over P92 and P91 became smaller at higher temperatures, the enhancement is still noticeable at 650°C.

36 MATERIALS SCIENCE↗