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At least 1,387 records · Page 77

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DOE OSTI2018

Finite-Element Simulations of Elastoplastic Flow during Compression of a Sample in a Diamond Anvil Cell under Extremely High Pressure: Effects of Geometry and Material Properties

Finite-element simulations are conducted to investigate large elastoplastic deformations of rhenium under multimegabar pressures in a diamond anvil cell (DAC), with an emphasis on the effects of geometric and material properties. The following published experimental phenomena are reproduced: (1) the pressure distribution at the sample or diamond contact surface and the final sample thickness at pressure up to 300 GPa; (2) the cupping (i.e., appearance of a cuplike concave shape of the contact diamond-sample surface) and double cupping phenomena at megabar pressures; (3) three stages at the curve of the maximum pressure versus compressive force; (4) stages of material flow with increasing load; (5) pressure drop at the periphery after cupping in that region; and (6) change in direction of material flow to the center without change in the sign of the pressure gradient. The effects of the culet geometry, bevel angle, sample thickness, and sample or gasket system are analyzed in detail. The obtained results improve the understanding of the material mechanical response under extreme pressures and large elastoplastic deformations and are beneficial for the optimum design of a DAC with the goal of reaching the high and record high pressures once or multiple times.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Quantifying Tip-Sample Interactions in Vacuum Using Cantilever-Based Sensors: An Analysis

Atomic force microscopy is an analytical characterization method that is able to image a sample’s surface topography at high resolution while simultaneously probing a variety of different sample properties. Such properties include tip-sample interactions, the local measurement of which has gained much popularity in recent years. To this end, either the oscillation frequency or the oscillation amplitude and phase of the vibrating force-sensing cantilever are recorded as a function of tip-sample distance and subsequently converted into quantitative values for the force or interaction potential. Here, we theoretically and experimentally show that the force law obtained from such data acquired under vacuum conditions using the most commonly applied methods may deviate more than previously assumed from the actual interaction when the oscillation amplitude of the probe is of the order of the decay length of the force near the surface, which may result in a non-negligible error if correct absolute values are of importance. Caused by approximations made in the development of the mathematical reconstruction procedures, the related inaccuracies can be effectively suppressed by using oscillation amplitudes sufficiently larger than the decay length. To facilitate efficient data acquisition, we propose a technique that includes modulating the drive amplitude at a constant height from the surface while monitoring the oscillation amplitude and phase. Ultimately, such an amplitude-sweep-based force spectroscopy enables shorter data acquisition times and increased accuracy for quantitative chemical characterization compared to standard approaches that vary the tip-sample distance. An additional advantage is that since no feedback loop is active while executing the amplitude sweep, the force can be consistently recovered deep into the repulsive regime.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Determination of the α -decay half-life of Po 210 based on film and slice bismuth samples at room temperature

For this research, the α decay rate of 210 Po was measured in a film sample ( 210 Po@Bi 2 O 3 ) and a slice sample ( 210 Po@Bi metal), respectively. The former was used as a reference sample. The half-lives of 210 Po@Bi 2 O 3 and 210 Po@Bi metal environments were observed to be (138.40 ± 0.21 d) and (138.87 ± 0.87 d) at room temperature, respectively. It was found that the half-life of 210 Po is consistent with international recommendations within the uncertainty limits, and we did not find any deviation of the α decay rate of 210 Po between film sample ( 210 Po@Bi 2 O 3 ) and slice sample ( 210 Po@Bi metal).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2017

Effect of finite particle number sampling on baryon number fluctuations

The effects of finite particle number sampling on the net baryon number cumulants, extracted from fluid dynamical simulations, are studied. The commonly used finite particle number sampling procedure introduces an additional Poissonian (or multinomial if global baryon number conservation is enforced) contribution which increases the extracted moments of the baryon number distribution. If this procedure is applied to a fluctuating fluid dynamics framework, one severely overestimates the actual cumulants. We show that the sampling of so-called test particles suppresses the additional contribution to the moments by at least one power of the number of test particles. We demonstrate this method in a numerical fluid dynamics simulation that includes the effects of spinodal decomposition due to a first-order phase transition. Furthermore, in the limit where antibaryons can be ignored, we derive analytic formulas which capture exactly the effect of particle sampling on the baryon number cumulants. These formulas may be used to test the various numerical particle sampling algorithms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Dark Energy Survey year 3 results: Constraints on cosmological parameters and galaxy-bias models from galaxy clustering and galaxy-galaxy lensing using the redMaGiC sample

We constrain cosmological parameters and galaxy-bias parameters using the combination of galaxy clustering and galaxy-galaxy lensing measurements from the Dark Energy Survey (DES) year-3 data. We describe our modeling framework and choice of scales analyzed, validating their robustness to theoretical uncertainties in small-scale clustering by analyzing simulated data. Using a linear galaxy-bias model and redMaGiC galaxy sample, we obtain 10% constraints on the matter density of the Universe. Here, we also implement a nonlinear galaxy-bias model to probe smaller scales that includes parametrization based on hybrid perturbation theory and find that it leads to a 17% gain in cosmological constraining power. We perform robustness tests of our methodology pipeline and demonstrate stability of the constraints to changes in the theory model. Using the redMaGiC galaxy sample as foreground lens galaxies and adopting the best-fitting cosmological parameters from DES year-1 data, we find the galaxy clustering and galaxy-galaxy lensing measurements to exhibit significant signals akin to decorrelation between galaxies and mass on large scales, which is not expected in any current models. This likely systematic measurement error biases our constraints on galaxy bias and the S 8 parameter. We find that a scale-, redshift- and sky-area-independent phenomenological decorrelation parameter can effectively capture this inconsistency between the galaxy clustering and galaxy-galaxy lensing. We trace the source of this correlation to a color-dependent photometric issue and minimize its impact on our result by changing the selection criteria of redMaGiC galaxies. Using this new sample, our constraints on the S 8 parameter are consistent with previous studies and we find a small shift in the Ω m constraints compared to the fiducial redMaGiC sample. We infer the constraints on the mean host-halo mass of the redMaGiC galaxies in this new sample from the large-scale bias constraints, finding the galaxies occupy halos of mass approximately 1.6 × 10 13 M ⊙ /h.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Velocity reconstruction in the era of DESI and Rubin/LSST. I. Exploring spectroscopic, photometric, and hybrid samples

Peculiar velocities of galaxies and halos can be reconstructed from their spatial distribution alone. This technique is analogous to the baryon acoustic oscillations reconstruction, using the continuity equation to connect density and velocity fields. The resulting reconstructed velocities can be used to measure imprints of galaxy velocities on the cosmic microwave background like the kinematic Sunyaev-Zel’dovich effect or the moving lens effect. As the precision of these measurements increases, characterizing the performance of the velocity reconstruction becomes crucial to allow unbiased and statistically optimal inference. In this paper, we quantify the relevant performance metrics: the variance of the reconstructed velocities and their correlation coefficient with the true velocities. We show that the relevant velocities to reconstruct for kSZ and moving lens are actually the halo—rather than galaxy—velocities. We quantify the impact of redshift-space distortions, photometric redshift errors, satellite galaxy fraction, incorrect cosmological parameter assumptions and smoothing scale on the reconstruction performance. Here, we also investigate hybrid reconstruction methods, where velocities inferred from spectroscopic samples are evaluated at the positions of denser photometric samples. We find that using exclusively the photometric sample is better than performing a hybrid analysis. The 2 Gpc/ℎ length simulations from abacussummit with realistic galaxy samples for DESI and Rubin LSST allow us to perform this analysis in a controlled setting. In the companion paper [B. Hadzhiyska, S. Ferraro, B. Ried Guachalla, and E. Schaan, companion paper, Phys. Rev. D 109, 103534 (2024).], we further include the effects of evolution along the light cone and give realistic performance estimates for DESI luminous red galaxies, emission line galaxies, and Rubin LSST-like samples.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Dark Energy Survey: Galaxy sample for the baryonic acoustic oscillation measurement from the final dataset

In this paper, we present and validate the galaxy sample used for the analysis of the baryon acoustic oscillation (BAO) signal in the Dark Energy Survey (DES) Y6 data. The definition is based on a color and redshift-dependent magnitude cut optimized to select galaxies at redshifts higher than 0.6, while ensuring a high-quality photo- z determination. The optimization is performed using a Fisher forecast algorithm, finding the optimal i -magnitude cut to be given by i < 19.64 + 2.894 z ph . For the optimal sample, we forecast an increase in precision in the BAO measurement of ∼ 25 % with respect to the Y3 analysis. Our BAO sample has a total of 15,937,556 galaxies in the redshift range 0.6 < z ph < 1.2 , and its angular mask covers 4 , 273.42 deg 2 to a depth of i = 22.5 . We validate its redshift distributions with three different methods: directional neighborhood fitting algorithm (DNF), which is our primary photo- z estimation; direct calibration with spectroscopic redshifts from VIPERS, which is a spectroscopic galaxy sample that overlaps with our BAO sample and is complete within our selection cuts; and clustering redshift using SDSS galaxies. The fiducial redshift distribution is a combination of these three techniques performed by modifying the mean and width of the DNF distributions to match those of VIPERS and clustering redshift. In this paper, we also describe the methodology used to mitigate the effect of observational systematics, which is analogous to the one used in the Y3 analysis. This paper is one of the two dedicated to the analysis of the BAO signal in DES Y6. In its companion paper, we present the angular diameter distance constraints obtained through the fitting to the BAO scale.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Low- Z polymer sample supports for fixed-target serial femtosecond X-ray crystallography

X-ray free-electron lasers (XFELs) offer a new avenue to the structural probing of complex materials, including biomolecules. Delivery of precious sample to the XFEL beam is a key consideration, as the sample of interest must be serially replaced after each destructive pulse. The fixed-target approach to sample delivery involves depositing samples on a thin-film support and subsequent serial introduction via a translating stage. Some classes of biological materials, including two-dimensional protein crystals, must be introduced on fixed-target supports, as they require a flat surface to prevent sample wrinkling. A series of wafer and transmission electron microscopy (TEM)-style grid supports constructed of low- Z plastic have been custom-designed and produced. Aluminium TEM grid holders were engineered, capable of delivering up to 20 different conventional or plastic TEM grids using fixed-target stages available at the Linac Coherent Light Source (LCLS). As proof-of-principle, X-ray diffraction has been demonstrated from two-dimensional crystals of bacteriorhodopsin and three-dimensional crystals of anthrax toxin protective antigen mounted on these supports at the LCLS. In conclusion, the benefits and limitations of these low- Z fixed-target supports are discussed; it is the authors' belief that they represent a viable and efficient alternative to previously reported fixed-target supports for conducting diffraction studies with XFELs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Strategies for sample delivery for femtosecond crystallography

Highly efficient data-collection methods are required for successful macromolecular crystallography (MX) experiments at X-ray free-electron lasers (XFELs). XFEL beamtime is scarce, and the high peak brightness of each XFEL pulse destroys the exposed crystal volume. It is therefore necessary to combine diffraction images from a large number of crystals (hundreds to hundreds of thousands) to obtain a final data set, bringing about sample-refreshment challenges that have previously been unknown to the MX synchrotron community. In view of this experimental complexity, a number of sample delivery methods have emerged, each with specific requirements, drawbacks and advantages. To provide useful selection criteria for future experiments, this review summarizes the currently available sample delivery methods, emphasising the basic principles and the specific sample requirements. Two main approaches to sample delivery are first covered: (i) injector methods with liquid or viscous media and (ii) fixed-target methods using large crystals or using microcrystals inside multi-crystal holders or chips. Additionally, hybrid methods such as acoustic droplet ejection and crystal extraction are covered, which combine the advantages of both fixed-target and injector approaches.

47 OTHER INSTRUMENTATION↗

DOE OSTI2016

A Novel Method for Phasor Measurement Unit Sampling Time Error Compensation

This paper focuses on a novel method for successive approximation register analog to digital converter control in synchronized phasor measurement units (PMUs). To compensate for the sampling time error caused by the division remainder between the desirable sampling rate and the oscillator frequency, a variable sampling interval control method is presented by interlacing two integers under a proposed criterion. The frequency of the onboard oscillator is monitored in real-time using the pulse per second (PPS) timing reference from global positioning system. The sampling control is adaptively adjusted each second according to the latest estimated oscillator frequency. The “saw tooth” in phasor angle error and DC offset and spikes in frequency error can be effectively eliminated by applying the proposed method. The simulation and experiment results validate the effectiveness and accuracy of the proposed method, which is believed to be able to greatly improve the performance of PPS-disciplined synchronous sampling methods in PMUs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2016

SU-F-J-193: Efficient Dose Extinction Method for Water Equivalent Path Length (WEPL) of Real Tissue Samples for Validation of CT HU to Stopping Power Conversion

Purpose: For proton therapy, an accurate model of CT HU to relative stopping power (RSP) conversion is essential. In current practice, validation of these models relies solely on measurements of tissue substitutes with standard compositions. Validation based on real tissue samples would be much more direct and can address variations between patients. This study intends to develop an efficient and accurate system based on the concept of dose extinction to measure WEPL and retrieve RSP in biological tissue in large number of types. Methods: A broad AP proton beam delivering a spread out Bragg peak (SOBP) is used to irradiate the samples with a Matrixx detector positioned immediately below. A water tank was placed on top of the samples, with the water level controllable in sub-millimeter by a remotely controlled dosing pump. While gradually lowering the water level with beam on, the transmission dose was recorded at 1 frame/sec. The WEPL were determined as the difference between the known beam range of the delivered SOBP (80%) and the water level corresponding to 80% of measured dose profiles in time. A Gammex 467 phantom was used to test the system and various types of biological tissue was measured. Results: RSP for all Gammex inserts, expect the one made with lung-450 material (<2% error), were determined within ±0.5% error. Depends on the WEPL of investigated phantom, a measurement takes around 10 min, which can be accelerated by a faster pump. Conclusion: Based on the concept of dose extinction, a system was explored to measure WEPL efficiently and accurately for a large number of samples. This allows the validation of CT HU to stopping power conversions based on large number of samples and real tissues. It also allows the assessment of beam uncertainties due to variations over patients, which issue has never been sufficiently studied before.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Formation and evolution of carbonaceous asteroid Ryugu: Direct evidence from returned samples

Samples of the carbonaceous asteroid Ryugu were brought to Earth by the Hayabusa2 spacecraft. We analyzed 17 Ryugu samples measuring 1 to 8 millimeters. Carbon dioxide–bearing water inclusions are present within a pyrrhotite crystal, indicating that Ryugu’s parent asteroid formed in the outer Solar System. The samples contain low abundances of materials that formed at high temperatures, such as chondrules and calcium- and aluminum-rich inclusions. The samples are rich in phyllosilicates and carbonates, which formed through aqueous alteration reactions at low temperature, high pH, and water/rock ratios of <1 (by mass). Less altered fragments contain olivine, pyroxene, amorphous silicates, calcite, and phosphide. Numerical simulations, based on the mineralogical and physical properties of the samples, indicate that Ryugu’s parent body formed ~2 million years after the beginning of Solar System formation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Advanced Techniques for Sample Processing of the Reusable Metal-Containing Raw Material (Review)

A review of the sample processing of different types of reusable metal-containing material (catalytic agents, e-wastes, cuttings, etc.) is given in the article; the purpose of the sample processing is the further analysis in the form of solutions: dilution in the mineral acid mix, alloying with different fluxes, leaching, etc. Increase in the temperature and pressure, ultrasonic impact, and microwave radiation are applied for the purpose of sample processing intensification. Methods of sample processing with application of sorbate concentration for the further definition of not only the noble, nonferrous, and rare metals but also the toxic elements are described. The review shows that the stage of sample processing is very important for achieving the potential of the applied analytical methods.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Microhardness of armco iron samples with different initial structures after rolling in a helium or nitrogen medium

We have analyzed the dependences of microhardness H on load P for the surface layers of Armco iron samples with different initial structures, i.e., annealed and after equal-channel angular pressing (ECAP). The microhardness was measured in air after rolling of the sample in helium or nitrogen medium. It has been found that these mediums produce different effects on the H(P) dependences for preliminarily annealed samples compared to those subjected to ECAP. This is due to the differences in their initial defects structures and in the types of binding forces of helium atoms and nitrogen molecules with dislocations, which determine the intensity of their penetration into the surface layer of the samples under investigation. We have obtained curves that describe the release of helium from samples rolled in different mediums and have measured the amount of helium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Initiation Thresholds and Dynamic Characteristics of an Explosion for Thin Samples of PETN-Al Composites under Laser Irradiation

In this paper, we measured thresholds H{sub cr} of explosive decomposition of thin (h = 1 mm) samples of PETN-Al composites with densities in the range of ρ = 0.9–1.7 g/cm{sup 3} and variations in the concentration of aluminum inclusions in the range of 0.025–1.0 wt % upon exposure to pulses of a neodymium laser (λ = 1064 nm, 14 ns). For each ρ, inclusion concentrations n{sub opt}, at which the threshold for explosive decomposition of H{sub cr} is minimal, are obtained. The velocities of air shock waves (ASWs) were determined depending on sample density ρ, and the times of the start of explosive decomposition were determined depending on the inclusion concentration. The amplitude (in relative units) and time shift of the maximal pressure of an ASW at the piezodetector are determined depending on sample density. It is concluded that the explosion is governed by the SW mechanism at high densities. As sample ρ decreases, the completeness of the explosion increases, with the most likely mechanism for small ρ being explosive burning. The efficiency of explosive decomposition is higher for samples with lower densities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Rare earth element geochemistry of outcrop and core samples from the Marcellus Shale

In this paper, we studied the geochemistry of the rare earth elements (REE) in eleven outcrop samples and six, depth-interval samples of a core from the Marcellus Shale. The REE are classically applied analytes for investigating depositional environments and inferring geochemical processes, making them of interest as potential, naturally occurring indicators of fluid sources as well as indicators of geochemical processes in solid waste disposal. However, little is known of the REE occurrence in the Marcellus Shale or its produced waters, and this study represents one of the first, thorough characterizations of the REE in the Marcellus Shale. In these samples, the abundance of REE and the fractionation of REE profiles were correlated with different mineral components of the shale. Namely, samples with a larger clay component were inferred to have higher absolute concentrations of REE but have less distinctive patterns. Conversely, samples with larger carbonate fractions exhibited a greater degree of fractionation, albeit with lower total abundance. Further study is necessary to determine release mechanisms, as well as REE fate-and-transport, however these results have implications for future brine and solid waste management applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Locations, metadata, and species cover from field sampling survey associated with NEON AOP survey, East River, CO 2018

Locations and descriptions of the sites where field sampling was conducted during the 2018 National Ecological Observatory Network (NEON) Airborne Observation Platform (AOP) imaging spectroscopy and lidar surveys in Gunnison County, Colorado. The sampling sites were located across East River, Washington Gulch, Slate River, and Coal Creek watersheds and contained a mixture of meadow, shrub, and tree sampling sites. This data package contains the location, metadata, species composition, and vector files for the sampling sites in this project. Species vouchers that have been preserved in the Rocky Mountain Biological Laboratory herbarium can be found on the Consortia of Southern Rocky Mountain Herbaria website: http://soroherbaria.org/portal/collections/index.php. Vector files provided here are for areas delineated based on the AOP reflectance data and mosaic developed by Brodrick et al. (doi: 10.15485/1618131), and use with other datasets should be closely evaluated. Subsequent data packages will contain additional biogeochemical, microbial, and geophysical data as they become available for these sampling sites. For full documentation, please see associated reference and additional references will be added here as they become available.

2018 NEON and 2025 CHESS Campaigns↗

DOE OSTI2020

Site-level Foliar C, N, delta13C data from samples collected during field survey associated with NEON AOP survey, East River, CO 2018

Carbon (C) and nitrogen (N) weight percent concentrations were obtained from the bulk foliar samples collected across East River, Washington Gulch, Slate River, and Coal Creek watersheds in Gunnison, Colorado during the summer of 2018. These samples were collected from sun-lit leaves of meadow, shrub, and tree vegetation types within 72 hours of the National Ecological Observatory Network Airborne Observation Platform (NEON AOP) hyperspectral survey. These samples were dried and then run on an elemental analyzer coupled to a mass spectrometer for C and N concentrations and delta13C. The intention of these data were to provide ground truth data to develop foliar nutrient models across the imaging spectroscopy domain. Additional associated site metadata and vegetation fractional cover information can be found in the associated data releases (DOI: 10.15485/1618130). Here we provide site level C, N, and delta 13C data in the CN_Results_Foliar.csv. All of these samples were also registered with IGSN codes, and the details from that registration with metadata for the samples is included in foliar_sample_igsn_metadata.csv.

54 ENVIRONMENTAL SCIENCES↗