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At least 829 records · Page 46

All sources NASA NTRS DOE OSTI

DOE OSTI2019

Nanomaterial-Treated Filters for the Uptake of Heavy Metals from Water Sources

We describe the synthesis and properties of ligand-modified gold nanoparticles (AuNPs) grown on stainless steel wool filters. Their selectivity and efficiency with regards to heavy metal uptake from groundwater and other sources of drinking water found at or near DOE facilities were also investigated. The nanomaterial-treated filters are advantageous because they serve as inactive supports that allow for efficient flow of the contaminated water, and can be easily replaced after heavy metal uptake. They are also comparable to nanomaterials free in solution with regards to the effectiveness of remediation of drinking water. Environmental stewardship is at the forefront of core competencies at SRNS. This includes treatment and remediation of contaminated groundwater. Among contaminants present in water resources, hazardous heavy metals and radioactive contaminants are the main concerns in the DOE complex. With the advent of nanotechnology, new remediation technologies have emerged. AuNPs have unique optical properties and enormous surface areas, making them good candidates for water remediation. They can be functionalized with ligands, e.g. citrate and L-cysteine, allowing them to serve as an excellent platform for environmental stewardship applications. Objectives: 1. Nanomaterial development and characterization Ligand-modified AuNPs: (a) in solution and (b) on stainless steel wool filters 2. Nanomaterial evaluation for efficiency and selectivity of heavy metal uptake, including Cu{sup 2+} and Zn{sup 2+}. Materials and Methods: Chloroauric acid (HAuCl{sub 4}), sodium citrate (reducing and capping agent); Stainless steel wool (SSW) was used as a support and filter; L-cysteine- ligand for surface functionalization; Zinc acetate and copper nitrate: heavy metal ions contaminants. Au NPs were prepared by wet chemistry methods. They were characterized by UV-Vis, Zeta sizer and potential, SEM, EDS and EDS mapping to understand their physico-chemical properties. Results and Discussions: Surface modification of AuNPs with surfactants changes their optical properties. Citrate capped AuNPs demonstrate high loading capacity for both heavy metals. L-cysteine capped AuNPs demonstrate high loading capacity for Zn{sup 2+}. Citrate capped AuNPs have excellent sensitivity towards heavy metal ions (0.05 mM can be detected). L-cysteine capped AuNPs can detect heavy metal ions at low concentrations, making them useful for sensing. Conclusions: AuNPs in solution and on SSW were successfully synthesized and characterized. Two functional sensing and remediation technologies - colorimetric sensor and AuNP-treated filters - were developed through wet chemistry methods. AuNP SSW filters exhibit different characteristics (size, shape, etc.) than AuNPs in solution and are efficient at the uptake of heavy metal ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1986

Candidate solar-type protostars in nearby molecular cloud cores

IRAS data have been used to examine the vicinity of nearly 100 dense clumps of molecular gas observed in lines of CO and NH3. More than one-third of these molecular cloud 'cores' contain infrared sources that appear to be newly formed, or forming, low mass stars. While about one-third of the infrared sources are associated with visible stars and have properties that resemble T Tauri stars, the remainder of the infrared sources have no optical counterparts and are probably embedded within the molecular cloud itself. These invisible sources lie close to the molecular cloud peaks and have cold, massive shells of material around them. Some of the cores without infrared sources have gas properties similar to those with embedded sources and so may be on the verge of gravitational collapse. The selection of the IRAS sample and its properties are described. The spectral energy distributions of the sources and their nature are discussed along with their physical properties, the properties of cores with and without infrared sources, and the time scale for the evolution of the sources.

Beichman, C. A.↗

DOE OSTI2021

Observations of compact sources in galaxy clusters using MUSTANG2

Compact sources can cause scatter in the scaling relationships between the amplitude of the thermal Sunyaev–Zel’dovich Effect (tSZE) in galaxy clusters and cluster mass. Estimates of the importance of this scatter vary – largely due to limited data on sources in clusters at the frequencies at which tSZE cluster surveys operate. In this paper, we present 90 GHz compact source measurements from a sample of 30 clusters observed using the MUSTANG2 instrument on the Green Bank Telescope. We present simulations of how a source’s flux density, spectral index, and angular separation from the cluster’s centre affect the measured tSZE in clusters detected by the Atacama Cosmology Telescope (ACT). By comparing the MUSTANG2 measurements with these simulations we calibrate an empirical relationship between 1.4 GHz flux densities from radio surveys and source contamination in ACT tSZE measurements. We find 3 per cent of the ACT clusters have more than a 20 per cent decrease in Compton-y but another 3 per cent have a 10 per cent increase in the Compton-y due to the matched filters used to find clusters. As sources affect the measured tSZE signal and hence the likelihood that a cluster will be detected, testing the level of source contamination in the tSZE signal using a tSZE-selected catalogue is inherently biased. We confirm this by comparing the ACT tSZE catalogue with optically and X-ray-selected cluster catalogues. Furthermore, there is a strong case for a large, high-resolution survey of clusters to better characterize their source population.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Acoustic emission Bayesian source location: Onset time challenge

Robust identification of the most accurate observed input data among a pool of observations is key in modeling and decision making. A statistically biased observed measurement deteriorates the predictive power of a model and affects decision-making ability based on the prediction of the model. When two competing methods of measurement are available, such as methods which identify arrival times in acoustic emission (AE) signals, a principal question is whether one of the two obtained datasets, or a combination of the two, should be used later on, for example, to localize an AE source. This question becomes more important when collecting not repeatable data such as AE signals created by a propagating crack. Here this paper considers an inverse source location problem in a concrete block to address the mentioned issue, a proposed methodology which also has wider application in competitive data selection. Elastic energy released by an AE event, such as a propagating crack, is recorded by acoustic emission data acquisition system. The onset time of AE signals is often used to locate the source of the event, and its accuracy directly affects the precision of source identification. This research proposes an innovative approach to select the most probable onset time obtained from two automatic picker methods. The proposed method selects the most probable onset times, which are observed by each picker for each sensor, in a probabilistic fashion. To validate the proposed method, the most accurate onset time observed by each picker is identified by visual inspection and is compared with the one is selected by the proposed method. Finally, the dataset is used for source location identification. Results show that picked onset times determined by the proposed method generate more accurate source identification when compared with coordinates obtained using each dataset individually.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1980

Measurement of visible and UV emission from Energetic Neutral Atom Precipitation (ENAP), on Spacelab

The charge exchange of plasmaspheric ions and exospheric H and O and of solar wind ions with exospheric and interplanetary H are sources of precipitating neutrals whose faint emission may be observed by the imaging spectrometric observatory during dark periods of the SL-1 orbit. Measurements of the interactions of these precipitating atoms with the thermosphere are needed to evaluate the heating and ionization effects on the atmosphere as well as the selective loss of i energetic ions from the sources (predominantly the ring current).

Tinsley, B. A.↗

DOE OSTI2018

Nanomaterial-Treated Filters for the Uptake of Heavy Metals from Water Sources

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Development of an ion beam analyzing system for the KBSI heavy-ion accelerator

The Korea Basic Science Institute (KBSI) has been developing a heavy ion accelerator system to accelerate high current, multi-charge state ions produced by a 28 GHz superconducting electron cyclotron ion source. A beam analyzing system as a part of the low energy beam transport apparatus was developed to select charged particles with desirable charge states from the ion beams. The desired species of ion, which is generated and extracted from the ECR ion source including various ion particles, can be selected by 90° dipole electromagnet. Due to the non-symmetrical structure in the coil as well as the non-linear permeability of the yoke material coil, a three dimensional analysis was carried out to confirm the design parameters. In this paper, we present the experimental results obtained as result of an analysis of KBSI accelerator. The effectiveness of beam selection was confirmed during the test of the analyzing system by injecting an ion beam from an ECR ion source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1977

A procedure for merging land cover/use data from Landsat, aerial photography, and map sources - Compatibility, accuracy and cost

A method is developed to merge land cover/use data from Landsat, aerial photography and map sources into a grid-based geographic information system. The method basically involves computer-assisted categorization of Landsat data to provide certain user-specified land cover categories; manual interpretation of aerial photography to identify other selected land cover/use categories that cannot be obtained from Landsat data; identification of special features from aerial photography or map sources; merging of the interpreted data from all the sources into a computer compatible file under a standardized coding structure; and the production of land cover/use maps, thematic maps, and tabular data. The specific tasks accomplished in producing the merged land cover/use data file and subsequent output products are identified and discussed. It is shown that effective implementation of the merging method is critically dependent on selecting the 'best' data source for each user-specified category in terms of accuracy and time/cost tradeoffs.

Enslin, W. R.↗

DOE OSTI2024

CLDERA-E3SM

SAND2025-03846O CLDERA-E3SM enhances the E3SMv2 model by adding new options such as complete stratospheric volcanic aerosol representation and idealized physics model configuration for the atmosphere component. CLDERA-E3SM also allows for aerosol source emission specification, which is a powerful method for tracking aerosol and its climate impacts in E3SMv2. This new code better represents stratospheric sulfate aerosol and includes modifications such as changes to the default aerosol size distributions and to stratospheric aerosol microphysical treatment, which allows stratospheric sulfate aerosol to grow larger than in the default E3SMv2. New aerosol source tagging can be customized to separate the global emission of select aerosol tracers—such as sulfate, black carbon, and organic carbon aerosol—into a new, user specified list of sources. It also includes idealized simulations of the atmosphere and volcanic aerosol tracers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hillman, Benjamin↗

DOE OSTI2024

MatRIS: Addressing the Challenges for Portability and Heterogeneity Using Tasking for Matrix Decomposition (Cholesky)

The ubiquitous in-node heterogeneity of HPC and cloud computing platforms makes software portability and performance optimization extremely challenging. Described here, the MatRIS multilevel math library abstraction framework employs tasking to alleviate these difficulties. MatRIS includes the IRIS task-based runtime on the bottom level and exposes different layers of abstraction to render algorithms architecturally agnostic. MatRIS ensures the decomposition and creation of tasks that represent the necessary encapsulation of the optimized kernels from both vendor and open-source math libraries. Once built, MatRIS can select different combinations of accelerators at runtime, making it portable even on diverse heterogeneous architectures. By leveraging the IRIS runtime’s features for managing heterogeneity, MatRIS deploys algorithms that remove the need to specify orchestration and data transfer. This study describes how the serial task abstraction of a tiled Cholesky factorization is made portable and scalable in the case of multi-device and multi-vendor heterogeneity on a node with NVIDIA and AMD GPUs by using MatRIS. First, we demonstrate that Cholesky in MatRIS provides multi-GPU scalability that offers competitive performance versus cuSolverMG. Then, we present the challenges and opportunities for heterogeneous execution.

Monil, M. A. H.↗

DOE OSTI2019

Thermo-Fluid Modeling of Selective Laser Melting: Single-Track Formation Incorporating Metallic Powder

Selective laser melting (SLM) utilizes a laser source to melt and fuse metallic particles to form dense solid parts. Since molten metals have surface tension gradients, the thermo-capillary effect becomes a driving force of melt flow, which will subsequently determine the molten/solidified track as well as the build surface morphology. In this study, a 3D volume of fluid model has been developed to simulate heat transfer and fluid dynamic during single-track laser scanning. A sequential powder addition algorithm is applied to obtain random powder distribution over a thick substrate. Temperature-dependent thermo-physical properties of Ti-6Al-4V are used to define the material, and a volumetric heat source is included as an approximation to laser irradiation. As a result of continuous melting and solidifying, the thermal behavior, the molten metal flow and the free surface formation can be numerically analyzed. In addition, a two-layer simulation has been carried out to study the interlayer bonding. Simulations results are compared with SLM experiments using the single-track morphology acquired by white-light interferometry. The melt pool widths obtained from simulations are in good agreement with the measured single-track widths. On the other hand, it is observed that single tracks formed in SLM have an elevated bead height, which is not realized numerically.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Radical Thermometers, Thermochemistry, and Photoelectron Spectra: A Photoelectron Photoion Coincidence Spectroscopy Study of the Methyl Peroxy Radical

In this study, we investigated the simplest alkylperoxy radical, CH 3 OO, formed by reacting photolytically generated CH 3 radicals with O 2 , using the new combustion reactions followed by photoelectron photoion coincidence (CRF-PEPICO) apparatus at the Swiss Light Source. Modeling the experimental photoion mass-selected threshold photoelectron spectrum using Franck–Condon simulations including transitions to triplet and singlet cationic states yielded the adiabatic ionization energy of 10.265 ± 0.025 eV. Dissociative photoionization of CH 3 OO generates the CH 3 + fragment ion at the appearance energy of 11.164 ± 0.010 eV. Combining these two values with Δ f H 0K °(CH 3 ) yields Δ f H 0K °(CH 3 OO) = 22.06 ± 0.97 kJ mol –1 , reducing the uncertainty of the previously determined value by a factor of 5. Lastly, statistical simulation of the CH 3 OO breakdown diagram provides a molecular thermometer of the free radical’s internal temperature, which we measured to be 330 ± 30 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Optical recognition of constructs using hyperspectral imaging and detection (ORCHID)

Abstract Challenges to deep sample imaging have necessitated the development of special techniques such as spatially offset optical spectroscopy to collect signals that have travelled through several layers of tissue. However, these techniques provide only spectral information in one dimension (i.e., depth). Here, we describe a general and practical method, referred to as Optical Recognition of Constructs Using Hyperspectral Imaging and Detection (ORCHID). The sensing strategy integrates (1) the spatial offset detection concept by computationally binning 2D optical data associated with digital offsets based on selected radial pixel distances from the excitation source; (2) hyperspectral imaging using tunable filter; and (3) digital image binding and collation. ORCHID is a versatile modality that is designed to collect optical signals deep inside samples across three spatial (X, Y, Z) as well as spectral dimensions. The ORCHID method is applicable to various optical techniques that exhibit narrow-band structures, from Raman scattering to quantum dot luminescence. Samples containing surface-enhanced Raman scattering (SERS)-active gold nanostar probes and quantum dots embedded in gel were used to show a proof of principle for the ORCHID concept. The resulting hyperspectral data cube is shown to spatially locate target emitting nanoparticle volumes and provide spectral information for in-depth 3D imaging.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Strategies for breaking molecular scaling relationships for the electrochemical CO 2 reduction reaction

The electrocatalytic CO 2 reduction reaction (CO 2 RR) is a promising strategy for converting CO 2 to fuels and value-added chemicals using renewable energy sources. Molecular electrocatalysts show promise for the selective conversion of CO 2 to single products with catalytic activity that can be tuned through synthetic structure modifications. However, for the CO 2 RR by traditional molecular catalysts, beneficial decreases in overpotentials are usually correlated with detrimental decreases in catalytic activity. This correlation is sometimes referred to as a “molecular scaling relationship”. Overcoming this inverse correlation between activity and effective overpotential remains a challenge when designing new, efficient molecular catalyst systems. Here, in this perspective, we discuss some of the concepts that give rise to the molecular scaling relationships in the CO 2 RR by molecular catalysts. We then provide an overview of some reported strategies from the last decade for breaking these scaling relationships. We end by discussing strategies and progress in our own research designing efficient molecular catalysts with redox-active ligands that show high activity at low effective overpotentials for the CO 2 RR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

PESSTO: survey description and products from the first data release by the Public ESO Spectroscopic Survey of Transient Objects

Context. The Public European Southern Observatory Spectroscopic Survey of Transient Objects (PESSTO) began as a public spectroscopic survey in April 2012. PESSTO classifies transients from publicly available sources and wide-field surveys, and selects science targets for detailed spectroscopic and photometric follow-up. PESSTO runs for nine months of the year, January - April and August - December inclusive, and typically has allocations of 10 nights per month. Aims. We describe the data reduction strategy and data products that are publicly available through the ESO archive as the Spectroscopic Survey data release 1 (SSDR1). Methods. PESSTO uses the New Technology Telescope with the instruments EFOSC2 and SOFI to provide optical and NIR spectroscopy and imaging. We target supernovae and optical transients brighter than 20.5m for classification. Science targets are selected for follow-up based on the PESSTO science goal of extending knowledge of the extremes of the supernova population. We use standard EFOSC2 set-ups providing spectra with resolutions of 13-18 Å between 3345-9995 Å. A subset of the brighter science targets are selected for SOFI spectroscopy with the blue and red grisms (0.935-2.53 μm and resolutions 23-33 Å) and imaging with broadband JHKs filters. Results. This first data release (SSDR1) contains flux calibrated spectra from the first year (April 2012-2013). A total of 221 confirmed supernovae were classified, and we released calibrated optical spectra and classifications publicly within 24 h of the data being taken (via WISeREP). The data in SSDR1 replace those released spectra. They have more reliable and quantifiable flux calibrations, correction for telluric absorption, and are made available in standard ESO Phase 3 formats. We estimate the absolute accuracy of the flux calibrations for EFOSC2 across the whole survey in SSDR1 to be typically ~15%, although a number of spectra will have less reliable absolute flux calibration because of weather and slit losses. Acquisition images for each spectrum are available which, in principle, can allow the user to refine the absolute flux calibration. The standard NIR reduction process does not produce high accuracy absolute spectrophotometry but synthetic photometry with accompanying JHKs imaging can improve this. Whenever possible, reduced SOFI images are provided to allow this. Conclusions. Future data releases will focus on improving the automated flux calibration of the data products. The rapid turnaround between discovery and classification and access to reliable pipeline processed data products has allowed early science papers in the first few months of the survey.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Ultrafast spectroscopic studies of vibrational energy transfer in energetic materials

Shock-induced detonation is a key property of energetic materials (EM) that remains empirically understood. One proposed mechanism of shock-initiation in EM is “phonon up-pumping” to initiate chemical reactions, where excitation of lattice phonon modes rapidly transfers energy into intramolecular vibrations, ultimately resulting in the breaking of chemical bonds. We are developing novel ultrafast laser spectroscopy techniques to study vibrational energy transfer from phonon modes to intramolecular vibrations (phonon up-pumping), as well as competing energy transfer pathways from intramolecular vibrations to phonon modes (vibrational cooling). Through combinations of plasma- generated supercontinuum infrared, tunable near- and mid-infrared, and terahertz pulses in pump-probe spectroscopy, supplemented with ab inito simulations, we can explore the energy transfer processes on a sub-picosecond time scale to elucidate vibrational energy transfer pathways and lifetimes in EM. In this work, we highlight recent progress, including the spectral and temporal characteristics of the infrared and THz sources as well as preliminary results on select EM.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Fluid and gyrokinetic turbulence in open field-line, helical plasmas

Two-fluid Braginskii codes have simulated open-field line turbulence for over a decade, and only recently, it has become possible to study these systems with continuum gyrokinetic codes. This work presents a first-of-its-kind comparison between fluid and (long-wavelength) gyrokinetic models in open field-lines, using the GDB and Gkeyll codes to simulate interchange turbulence in the Helimak device at the University of Texas [T. N. Bernard et al., Phys. Plasmas 26, 042301 (2019)]. Partial agreement is attained in a number of diagnostic channels when the GDB sources and sheath boundary conditions (BCs) are selected carefully, especially the heat-flux BCs that can drastically alter the temperature. The radial profile of the fluctuation levels is qualitatively similar and quantitatively comparable on the low-field side, although statistics such as moments of the probability density function and the high-frequency spectrum show greater differences. This comparison indicates areas for future improvement in both simulations, such as sheath BCs, and improvements in GDB like particle conservation and spatially varying thermal conductivity, in order to achieve better fluid-gyrokinetic agreement and increase fidelity when simulating experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Characterization of Agfa Structurix series D4 and D3sc x-ray films in the 0.7–4.6 keV energy range

X-ray films remain a key asset for high-resolution x-ray spectral imaging in high-energy-density experiments conducted at the National Ignition Facility (NIF). The soft x-ray Opacity Spectrometer (OpSpec) fielded at the NIF has an elliptically shaped crystal design that measures x rays in the 900–2100 eV range and currently uses an image plate as the detecting medium. However, Agfa D4 and D3sc x-ray films’ higher spatial resolution provides increased spectral resolution to the data over the IP-TR image plates, driving the desire for regular use of x-ray film as a detecting medium. The calibration of Agfa D4 x-ray film for use in the OpSpec is communicated here. These calibration efforts are vital to the accuracy of the NIF opacity measurements and are conducted in a previously un-studied x-ray energy range under a new film development protocol required by NIF. The absolute response of Agfa D4 x-ray film from 705 to 4620 eV has been measured using the Nevada National Security Site Manson x-ray source. A broader range of energies was selected to compare results with previously published data. The measurements were taken using selected anodes, filters, and applied voltages to produce well-defined energy lines.

Dutra, E. C. (ORCID:0000000167649195)↗