Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “enhanced sampling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,621 records · Page 90

The influence of silanized nano-SiO{sub 2} on the hydration of cement paste: NMR investigations

It is known that by adding a small amount of nanoparticles to the cement-based materials a strong influence on the workability, strength and durability is obtained. These characteristics of the material are fundamentally determined by the hydration process taking place after mixing the cement grains with water. In the present study the influence introduced by the addition of nano-silica with silanized surfaces on the hydration process was investigated using low-field nuclear magnetic resonance (NMR) relaxometry. The cement samples were prepared using gray cement at a water-to-cement ratio of 0.4 and a 5% addition of nanosilica. The surface of the nanoparticles was modified using a coating of Silane A174. The cement pastes were monitored during their standard curing time of 28 days. It was established that, by using unmodified nanosilica particles, an acceleration of the hydration process takes place as compared with the pure cement paste. On the other side, by adding silanized nanoparticles, the dormancy stage significantly extends and the hydration process is slower. This slowing down process could enhance the mechanical strength of cement based materials as a result of a better compaction of the hydrated samples.

36 MATERIALS SCIENCE↗

Coordinated Analysis of Phosphates in Samples From Asteroid (101955) Bennu

Asteroid (101955) Bennu is a B-type asteroid and a prime candidate for investigating the remnants of planet formation and enhancing our understanding of potential sources of crucial bio-essential elements for the early Earth. Remote observations of the surface of Bennu unveiled a terrain of boulders primarily composed of hydrated phyllosilicates, organic molecules, and carbonates. The hydrated nature of Bennu, the abundance of carbonates, and the presence of cm-scale carbonate veins provide clues to the nature of the building blocks of Bennu’s parent body and to its complex geological history. Here we present the first mineralogical, chemical, and isotopic results of analysis of phosphates in samples returned from Bennu by NASA’s OSIRIS-REx mission. We seek to test the hypothesis that heating of Bennu’s parent asteroid resulted in hydrothermal alteration in which melted ice reacted with the initial constituents.

J. J. Barnes↗

Evaluation of used fuel disposition in clay-bearing rock

The R&D program from the DOE Used Fuel Disposition Campaign (UFDC) has documented key advances in coupled Thermal-Hydrological-Mechanical-Chemical (THMC) modeling of clay to simulate its complex dynamic behavior in response to thermal and hydrochemical feedbacks. These efforts have been harnessed to assess the isolation performance of heat-generating nuclear waste in a deep geological repository in clay/shale/argillaceous rock formations. This report describes the ongoing disposal R&D efforts on the advancement and refinement of coupled THMC process models, hydrothermal experiments on barrier clay interactions, used fuel and canister material degradation, thermodynamic database development, and reactive transport modeling of the near-field under non-isothermal conditions. These play an important role to the evaluation of sacrificial zones as part of the EBS exposure to thermally-driven chemical and transport processes. Thermal inducement of chemical interactions at EBS domains enhances mineral dissolution/precipitation but also generates mineralogical changes that result in mineral H2O uptake/removal (hydration/dehydration reactions). These processes can result in volume changes that can affect the interface / bulk phase porosities and the mechanical (stress) state of the bentonite barrier. Characterization studies on bentonite barrier samples from the FEBEX-DP international activity have provided important insight on clay barrier microstructures (e.g., microcracks) and interactions at EBS interfaces. Enhancements to the used fuel degradation model outlines the need to include the effects of canister corrosion due the strong influence of H2 generation on the source term.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Evaluation of used fuel disposition in clay-bearing rock.

The R&D program from the DOE Used Fuel Disposition Campaign (UFDC) has documented key advances in coupled Thermal-Hydrological-Mechanical-Chemical (THMC) modeling of clay to simulate its complex dynamic behavior in response to thermal and hydrochemical feedbacks. These efforts have been harnessed to assess the isolation performance of heatgenerating nuclear waste in a deep geological repository in clay/shale/argillaceous rock formations. This report describes the ongoing disposal R&D efforts on the advancement and refinement of coupled THMC process models, hydrothermal experiments on barrier clay interactions, used fuel and canister material degradation, thermodynamic database development, and reactive transport modeling of the near-field under non-isothermal conditions. These play an important role to the evaluation of sacrificial zones as part of the EBS exposure to thermallydriven chemical and transport processes. Thermal inducement of chemical interactions at EBS domains enhances mineral dissolution/precipitation but also generates mineralogical changes that result in mineral H2O uptake/removal (hydration/dehydration reactions). These processes can result in volume changes that can affect the interface / bulk phase porosities and the mechanical (stress) state of the bentonite barrier. Characterization studies on bentonite barrier samples from the FEBEX-DP international activity have provided important insight on clay barrier microstructures (e.g., microcracks) and interactions at EBS interfaces. Enhancements to the used fuel degradation model outlines the need to include the effects of canister corrosion due the strong influence of H 2 generation on the source term.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Efficient boundary-guided scanning for high-resolution X-ray ptychography

In the realm of X-ray ptychography experiments, a considerable amount of ptychography scans are typically performed within a field of view encompassing the target sample. While it is crucial to obtain overlapping scans in small increments over the region of interest for achieving high-resolution sample reconstruction, a significant number of these scans often redundantly measure the empty background within the wide field of view. To address this inefficiency, an innovative algorithm is proposed that introduces automatic guidance for data acquisition. The algorithm first directs the scan point to actively search for the object of interest within the field of view. Subsequently, it intelligently scans along the perimeter of the sample, strategically acquiring measurements exclusively within the boundary of the region of interest. By employing this approach, a reduction in the number of measurements required to obtain high-resolution reconstruction images is demonstrated, as compared with conventional raster scanning methods. Furthermore, the automatic guidance provided by the algorithm offers the added advantage of saving valuable time during the reconstruction process. Through practical implementation on real experiments, these findings showcase the efficacy of the proposed algorithm in enhancing the efficiency and accuracy of X-ray ptychography experiments. This novel approach holds immense potential for advancing sample analysis and imaging techniques in various scientific disciplines.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Electrical properties from photoinduced charging on Cd-doped (100) surfaces of CuInSe{sub 2} epitaxial thin films

The photoresponse of Cd-doped CuInSe{sub 2} (CIS) epitaxial thin films on GaAs(100) was studied using x-ray photoelectron spectroscopy under illumination from a 532 nm laser between sample temperatures of 28–260 °C. The initial, air-exposed surface shows little to no photoresponse in the photoelectron binding energies, the Auger electron kinetic energies or peak shapes. Heating between 50 and 130 °C in the analysis chamber results in enhanced n-type doping at the surface and an increased light-induced binding energy shift, the magnitude of which persists when the samples are cooled to room temperature from 130 °C but which disappears when cooling from 260 °C. Extra negative charge trapped on the Cu and Se atoms indicates deep trap states that dissociate after cooling from 260 °C. Analysis of the Cd modified Auger parameter under illumination gives experimental verification of electron charging on Cd atoms thought to be shallow donors in CIS. The electron charging under illumination disappears at 130 °C but occurs again when the sample is cooled to room temperature.

42 ENGINEERING↗

Coupling of an atmospheric pressure microplasma ionization source with an Orbitrap Fusion Lumos Tribrid 1M mass analyzer for ultra-high resolution isotopic analysis of uranium

The coupling of a combined atomic and molecular (CAM) ionization source, the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma to an Orbitrap Fusion Lumos Tribrid 1M mass spectrometer is described as a significant step towards the elimination of isobaric interferences in elemental/isotopic mass spectrometry. The developed setup permits broadband, elemental mass spectra to be easily acquired at a mass resolution (m/Δm) of 500 000. A new ion source housing and integrated control system provide enhanced stability and sensitivity of the microplasma ion source in comparison to the previous designs. Detailed evaluation of the ion sampling parameters provided insight into differences with other Orbitrap platforms leading to a 5-fold increase in resolution in elemental/isotopic analysis. The roles of data acquisition/ion processing parameters were evaluated with regards to the precision and accuracy of 235 U/ 238 U isotope ratios. Significantly, the precision of those measurements improves as a function of pre-set mass resolution up to a value of 1 000 000, where a precision of 0.086% RSD is obtained for uranium concentrations of 100 ng mL− 1 . Analytical response curves (log–log), acquired for the two uranium isotopes at a resolution of 120 000 were linear (R 2 = 0.9969) over more than 5 orders of magnitude, with limits of detection of 1 pg mL −1 for U. Based on 60 μL injection volumes, this represents a mass of 70 fg 235 U. These figures of merit satisfy International Target Values (ITVs) for Measurement Uncertainties in Safeguarding Nuclear Materials set by the International Atomic Energy Agency (IAEA). Ultimately, and totally unique from beam-type instruments, the move to the higher-resolution Orbitrap platform provides all of the benefits of high mass resolution, with no penalties in sensitivity, precision, or dynamic range for uranium analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancing Sensitivity in Targeted Single-Cell Proteomics by Coupling a Dual Ion Funnel Interface with Triple Quadrupole Mass Spectrometer

Single-cell proteomics (SCP) has emerged as a powerful approach for understanding cellular heterogeneity and biological processes at unprecedented resolution. However, the extremely limited protein content of individual cells (femtogram to picogram levels) pushes current mass spectrometry instrumentation to its sensitivity limits, creating a critical analytical bottleneck. While selected reaction monitoring (SRM) using triple quadrupole (QqQ) instruments 1 offers advantages in sensitivity and reproducibility for targeted proteomics quantification, SRM still struggles with sensitivity for quantification of moderate- or low-abundance proteins from single-cell sample amounts. Here, we report the development and systematic evaluation of a dual ion funnel interface designed to address the sensitivity limitation by significantly enhancing ion transmission efficiency in commercial QqQ mass spectrometers. The dual ion funnel interface, composed of a curved S-funnel followed by a conventional ion funnel, improves ion transmission efficiency while reducing chemical noise through selective ion focusing. The performance of the dual ion funnel interface was systematically compared to standard interface on a TSQ Vantage platform across samples with different levels of complexity. The dual funnel interface demonstrated to provide up to 25-fold improvement in sensitivity across a wide range of protein concentrations in different biological matrices (low complex mouse macrophage and high complex human cells). Critically, enhanced sensitivity was accompanied by increased analytical reproducibility with lower coefficient of variations. Most importantly, the dual funnel interface enabled reliable quantification of low-abundance proteins that were barely detectable or not detected by the standard interface, extending analysis to single-cell equivalent amounts while maintaining excellent reproducibility. These results demonstrate that the dual funnel interface addresses the critical bottleneck in quantitative targeted proteomics, providing a technological foundation for ultrasensitive targeted SCP that requires both high sensitivity and robust quantitative performance.

Min, Sehong↗

Multimodal imaging and machine learning to enhance microscope images of shale

A machine learning based image processing workflow is presented to enhance shale source rock microscopic images obtained using diverse imaging platforms. Images were acquired from a 30 μm diameter cylindrical Vaca Muerta shale sample using both nondestructive Transmission X-Ray Microscopy (TXM, alternately referred to as nano computed tomography) and destructive Focused Ion Beam-Scanning Electron Microscopy (FIB-SEM). Output cross-sectional images from each modality were aligned using a combination of manual and automated registration techniques to create a registered image dataset. We then apply this dataset for two image processing tasks: prediction of image cross sections with SEM-like resolution from nondestructive TXM data and repair of charged region artifacts (localized accumulation of electrons) within SEM images. The image processing algorithms for both tasks use deep learning models, specifically image-to-image Convolutional Neural Networks (CNNs) and conditional Generative Adversarial Networks (cGANs). In the image enhancement tasks, we are able to achieve significant qualitative and quantitative improvement in TXM images. Here, the best model reaches an average Peak Signal to Noise Ratio (PSNR) of 15.8 dB. Conditioning on TXM data is also shown to reduce artifacts from SEM charging, achieving an average PSNR of 25.8 dB. Furthermore, our results suggest that properly trained and validated networks are capable of significant enhancement of images obtained using nondestructive techniques, thereby improving interpretation of two- and three-dimensional images while preserving samples for future use.

58 GEOSCIENCES↗

CARA Status and Upcoming Enhancements

CAS 8.4.3 was deployed to operations on 13 June 2017. Discrepancies Between 3D Pc Estimates and advanced Monte Carlo Equinoctial-Sampling Pc Estimates discovered and discussed at 23 May 2017 Useras (Registered Trademark) Forum. The patch created the Reporting Pc, which is the greater value between the calculated 2D and 3D Pc values This changed the Pc reported in the CDMs to the Reporting Pc This changed the Pc reported on the Summary Report to the Reporting Pc This changed the Pc reported on Maneuver Screening Analysis (MSA) Report to the Reporting Pc. Both the 2D and 3D Pc added to the Summary Report details section The patch also updated the 3D Pc algorithm to eliminate velocity covariance from the Pc calculation This will bring 2D and 3D Pc into close alignment for vast majority of events, particularly for the events in which the 2D/3D discrepancy was found.

conjunction assessmen↗

Enhancement of concentration range of chromatographically detectable components with array detector mass spectrometry

Methods and instruments for high dynamic range analysis of sample components are described. A sample is subjected to time-dependent separation, ionized, and the ions dispersed with a constant integration time across an array of detectors according to the ions m/z values. Each of the detectors in the array has a dynamically adjustable gain or a logarithmic response function, producing an instrument capable of detecting a ratio of responses or 4 or more orders of magnitude.

47 OTHER INSTRUMENTATION↗

Synthesis, characterization and electrocatalytic properties of delafossite CuGaO{sub 2}

Delafossite CuGaO{sub 2} has been employed as photocatalysts for solar cells, but their electrocatalytic properties have not been extensively studied, especially no comparison among samples made by different synthesis routes. Herein, we first reported the successful synthesis of delafossite CuGaO{sub 2} particles with three different morphologies, i.e. nanocrystalline hexagons, sub-micron sized plates and micron–sized particles by a modified hydrothermal method at 190 °C for 60 h [1–3], a sono-chemical method followed by firing at 850 °C for 48 h, and a solid state route at 1150 °C, respectively. Morphology, composition and phase purity of the synthesized samples was confirmed by powder X-ray diffraction and Raman spectroscopic studies, and then their electrocatalytic performance as active and cost effective electrode materials to the oxygen and hydrogen evolution reactions in 0.5 M KOH electrolyte versus Ag/AgCl was investigated and compared under the same conditions for the first time. The nanocrystalline CuGaO{sub 2} hexagons show enhanced electrocatalytic activity than the counterpart sub-micron sized plates and micron-sized particles. - Graphical abstract: Representative delafossite CuGaO2 samples with sub-micron sized plate and nanocrystalline hexagon morphologies accompanying with chronoamperometric voltammograms for oxygen evolution reaction and hydrogen evolution reaction in 0.5 M KOH electrolyte after purged with N{sub 2} gas. - Highlights: • Delafossite CuGaO{sub 2} with three morphologies has been synthesized. • Phase purity of the synthesized samples was confirmed. • Comparison on their electrocatalytic properties was made for the first time. • Their use as electrodes for oxygen and hydrogen evolution reactions was evaluated. • Nanocrystalline CuGaO{sub 2} hexagons show highest electrocatalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Rapid determination of radiostrontium in seawater samples

A new method for the determination of radiostrontium in seawater samples has been developed at the Savannah River National Laboratory (SRNL) that allows rapid preconcentration and separation of strontium and yttrium isotopes in seawater samples for measurement. The new SRNL method employs a novel and effective pre-concentration step that utilizes a blend of calcium phosphate with iron hydroxide to collect both strontium and yttrium rapidly from the seawater matrix with enhanced chemical yields. The pre-concentration steps, in combination with rapid Sr Resin and DGA Resin cartridge separation options using vacuum box technology, allow seawater samples up to 10 liters to be analyzed. The total 89 Sr + 90 Sr activity may be determined by gas flow proportional counting and recounted after ingrowth of 90 Y to differentiate 89 Sr from 90 Sr. Gas flow proportional counting provides a lower method detection limit than liquid scintillation or Cerenkov counting and allows simultaneous counting of samples. Simultaneous counting allows for longer count times and lower method detection limits without handling very large aliquots of seawater. Seawater samples up to 6 liters may be analyzed using Sr Resin for 89 Sr and 90 Sr with a Minimum Detectable Activity (MDA) of 1-10 mBq/L, depending on count times. Seawater samples up to 10 liters may be analyzed for 90 Sr using a DGA Resin method via collection and purification of 90 Y only. If 89 Sr and other fission products are present, then 91 Y (beta energy 1.55 MeV, 58.5 day half-life) is also likely to be present. 91 Y interferes with attempts to collect 90 Y directly from the seawater sample without initial purification of Sr isotopes first and 90 Y ingrowth. The DGA Resin option can be used to determine 90 Sr, and if 91 Y is also present, an ingrowth option with using DGA Resin again to collect 90 Y can be performed. An MDA for 90 Sr of <1 mBq/L for an 8 hour count may be obtained using 10 liter seawater sample aliquots.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

The role of the Remotely Augmented Vehicle (RAV) laboratory in flight research

An overview is presented of the unique capabilities and historical significance of the Remotely Augmented Vehicle (RAV) Lab at NASA-Dryden. The role is reviewed of the RAV Lab in enhancing flight test programs and efficient testing of new aircraft control laws. The history of the RAV Lab is discussed with a sample of its application using the X-29 aircraft. The RAV Lab allows for closed or open loop augmentation of the research aircraft while in flight using ground based, high performance real time computers. Telemetry systems transfer sensor and control data between the ground and the aircraft. The RAV capability provides for enhanced computational power, improved flight data quality, and alternate methods for the testing of control system concepts. The Lab is easily reconfigured to reflect changes within a flight program and can be adapted to new flight programs.

Cohen, Dorothea↗

CLUSTER LENSING PROFILES DERIVED FROM A REDSHIFT ENHANCEMENT OF MAGNIFIED BOSS-SURVEY GALAXIES

We report the first detection of a redshift-depth enhancement of background galaxies magnified by foreground clusters. Using 300,000 BOSS survey galaxies with accurate spectroscopic redshifts, we measure their mean redshift depth behind four large samples of optically selected clusters from the Sloan Digital Sky Survey (SDSS) surveys, totaling 5000-15,000 clusters. A clear trend of increasing mean redshift toward the cluster centers is found, averaged over each of the four cluster samples. In addition, we find similar but noisier behavior for an independent X-ray sample of 158 clusters lying in the foreground of the current BOSS sky area. By adopting the mass-richness relationships appropriate for each survey, we compare our results with theoretical predictions for each of the four SDSS cluster catalogs. The radial form of this redshift enhancement is well fitted by a richness-to-mass weighted composite Navarro-Frenk-White profile with an effective mass ranging between M{sub 200} {approx} 1.4-1.8 Multiplication-Sign 10{sup 14} M{sub Sun} for the optically detected cluster samples, and M{sub 200} {approx} 5.0 Multiplication-Sign 10{sup 14} M{sub Sun} for the X-ray sample. This lensing detection helps to establish the credibility of these SDSS cluster surveys, and provides a normalization for their respective mass-richness relations. In the context of the upcoming bigBOSS, Subaru Prime Focus Spectrograph, and EUCLID-NISP spectroscopic surveys, this method represents an independent means of deriving the masses of cluster samples for examining the cosmological evolution, and provides a relatively clean consistency check of weak-lensing measurements, free from the systematic limitations of shear calibration.

79 ASTRONOMY AND ASTROPHYSICS↗

Resonance-Enhanced Excitation of Interlayer Vibrations in Atomically Thin Black Phosphorus

The strength of interlayer coupling critically affects the physical properties of 2D materials such as black phosphorus (BP), where the electronic structure depends sensitively on layer thickness. Rigid-layer vibrations reflect directly the interlayer coupling strength in 2D van der Waals solids, but measurement of these characteristic frequencies is made difficult by sample instability and small Raman scattering cross sections in atomically thin elemental crystals. Here, we overcome these challenges in BP by performing resonance-enhanced low-frequency Raman scattering under an argon-protective environment. Interlayer breathing modes for atomically thin BP were previously unobservable under conventional (nonresonant) excitation but became strongly enhanced when the excitation energy matched the sub-band electronic transitions of few-layer BP, down to bilayer thicknesses. The measured out-of-plane interlayer force constant was found to be 10.1 × 10 19 N/m 3 in BP, which is comparable to graphene. Accurate characterization of the interlayer coupling strength lays the foundation for future exploration of BP twisted structures and heterostructures.

interlayer interaction↗

Resolution-enhanced Mapping Spectrometer

A familiar mapping spectrometer implementation utilizes two dimensional detector arrays with spectral dispersion along one direction and spatial along the other. Spectral images are formed by spatially scanning across the scene (i.e., push-broom scanning). For imaging grating and prism spectrometers, the slit is perpendicular to the spatial scan direction. For spectrometers utilizing linearly variable focal-plane-mounted filters the spatial scan direction is perpendicular to the direction of spectral variation. These spectrometers share the common limitation that the number of spectral resolution elements is given by the number of pixels along the spectral (or dispersive) direction. Resolution enhancement by first passing the light input to the spectrometer through a scanned etalon or Michelson is discussed. Thus, while a detector element is scanned through a spatial resolution element of the scene, it is also temporally sampled. The analysis for all the pixels in the dispersive direction is addressed. Several specific examples are discussed. The alternate use of a Michelson for the same enhancement purpose is also discussed. Suitable for weight constrained deep space missions, hardware systems were developed including actuators, sensor, and electronics such that low-resolution etalons with performance required for implementation would weigh less than one pound.

Kumer, J. B.↗

Nonuniform carrier density in Cd 3 As 2 evidenced by optical spectroscopy

In this paper, we report the detailed optical properties of Cd 3 As 2 crystals in a wide parameter space: temperature, magnetic field, carrier concentration, and crystal orientation. We investigate high-quality crystals synthesized by three different techniques. In all the studied samples, independently of how they were prepared and how they were treated before the optical experiments, our data indicate conspicuous fluctuations in the carrier density (up to 30%). These charge puddles have a characteristic scale of 100 μm, they become more pronounced at low temperatures, and possibly, they become enhanced by the presence of crystal twinning. The Drude response is characterized by very small scattering rates (~1 meV) for as-grown samples. Mechanical treatment, such as cutting or polishing, influences the optical properties of single crystals, by increasing the Drude scattering rate and also modifying the high-frequency optical response. Finally, magnetoreflectivity and Kerr rotation are consistent with electronlike charge carriers and a spatially nonuniform carrier density.

36 MATERIALS SCIENCE↗