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At least 91 records · Page 5

Exploration of a Combined LIBS and LA-ICP-MS Approach for Apatite Characterisation

A combined laser‐induced breakdown spectroscopy (LIBS) and laser ablation‐inductively coupled plasma‐mass spectrometry (LA‐ICP‐MS) method is demonstrated for comprehensive apatite analysis. These measurements provide elemental imaging that can be used as a screening technique for chemical selection of grains for subsequent analysis (e.g., U‐Pb geochronology) or can be used to understand elemental distributions within a single grain that would have direct textural‐chemical implications (e.g., zoning patterns). Adding LIBS as a simultaneous measurement, to LA‐ICP‐MS U‐Pb geochronology, allowed for the direct determination of F (H and O show promise for future applications) in addition to major and trace elements of interest. Here, the quantitative measurements were validated against a series of apatites with known values and used to characterise a wide range of samples. Fluorine detection limits were determined to be as low as 70 μg g ‐1 F (broadband CMOS detector) and 4.2 μg g ‐1 F (ICCD detector). U‐Pb age dating was simultaneously collected by LA‐ICP‐MS with the quantitative elemental data from LIBS, providing a comprehensive method for geochronology.

Apatite↗

Design, construction, and validation of an in-situ groundwater trace element analyzer with applications in carbon storage

Abstract It is estimated that carbon emissions should reach net-zero by 2050 to meet important climate targets. Carbon capture is likely necessary to reach these targets, requiring a long-term storage solution such as geological carbon sequestration. However, as with any subsurface activity, leakage can occur, potentially impacting groundwater quality near the storage site. Rapid detection is essential to mitigate damage to this resource. Since CO 2 will acidify groundwater, the concentrations of acid soluble minerals and associated cations will increase. Thus, an in-situ, real-time element analysis system based on laser-induced breakdown spectroscopy (LIBS) is under development to monitor these elements. The system splits the traditional LIBS system into a miniature, all-optical sensor head built around a passively Q-switch laser fiber coupled to a control unit. Previous work has validated the LIBS technique for use at high pressure as well as the split system design. In this work, a fieldable prototype sensor is developed and tested in an onsite monitoring well where trace elements concentrations (approx. 0–3 ppm) were tracked over 20 days. These concentrations varied in response to local rainfall, diluting with increased rain, demonstrating the ability of a LIBS-based sensor to track trace elements under real-world conditions.

54 ENVIRONMENTAL SCIENCES↗

Rapid paper spray mass spectrometry characterization of uranium and exemplar molecular species

The ability to detect and quantify the presence of specific inorganic elements and complexes is essential for environmental monitoring and nuclear safeguards applications. In this work, paper spray ionization mass spectrometry (PSI–MS) was used for the rapid chemical and isotopic characterization of trace inorganic species collected on cotton swipe substrates. Here, the direct analysis of cotton swipes using this ambient ionization technique led to fast sample analysis that retained original chemical information of the source material with minimal sample preparation. Mass spectra were collected on an atmospheric pressure ionization, high–resolution mass spectrometer for solutions containing uranyl acetate, uranyl chloride, uranyl nitrate, and uranyl tri– n –butylphosphate (uranyl–TBP) complexes. Gadolinium nitrate was used as an internal standard for the quantitative analysis of uranium. To demonstrate the ability to characterize inorganic contaminants in the presence of uranium, a multi–element inorganic standard containing U, Bi, Pb, Cd, Fe, and Zn was deposited onto cotton substrates and directly analyzed without purification. All elements doped on the cotton substrate were detected with strong signal–to–noise (S/N) ratios (S/N~1000 for UO 2 + on multi–element doped swipes) and high integrated intensities (>10 5 counts) from collection periods of approximately 1 min. Limits of detection were determined to be approximately 94 ng for UO 2 + and uranyl acetate through the measurement of ppb level solutions. The rapid analysis of uranium and other inorganic–containing samples while still retaining original chemical information (e.g. uranyl complexation) was demonstrated. Qualitative detection and speciation were achieved in less than 1 min of analysis. For uranium isotopic quantitation, longer accumulations (>15 min) can be sustained to improve the accuracy of minor 235 U isotopic abundance measurements to approximately 1% error.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Surface Water Quality Data from Beaver-Impacted Streams; Trail Creek and East River, Colorado 2025

This data package contains surface water chemistry measurements collected in 2025 to evaluate how beaver damming and low-tech process-based stream restoration influence water quality and metal mobility in mountainous headwater systems of the Upper Colorado River Basin. Sampling was conducted at Trail Creek (Taylor Park watershed, Colorado), a tributary undergoing restoration through installation of low-tech process-based structures (i.e., beaver dam analogs), and at off-channel beaver ponds within the East River floodplain (East River watershed, Colorado). Samples were collected along longitudinal transects spanning upstream control reaches, beaver-influenced ponded reaches, and downstream segments. Additional samples were collected from near-surface pore waters within a beaver dam seepage face. The dataset includes concentrations of major and trace elements measured by inductively coupled plasma–mass spectrometry (ICP-MS) and inductively coupled plasma–optical emission spectrometry (ICP-OES), major anions measured by ion chromatography (IC), and dissolved organic carbon (DOC; reported as non-purgeable organic carbon, NPOC). Samples were size-fractionated at 0.45 micrometers (µm), 0.22 µm, and 0.02 µm to distinguish particulate (>0.45 µm), colloidal (0.22–0.02 µm), and dissolved (<0.02 µm) fractions. The data package consists of comma-separated value (.csv) files containing tabulated chemical concentration data, sample metadata (site identifiers, geographic coordinates, sampling dates, fraction type), and quality control flags. All files are provided in open, non-proprietary formats that can be accessed using standard data analysis software such as Microsoft Excel, R, Python, MATLAB, or other programs capable of reading .csv files. Units, detection limits, and analytical methods are documented in accompanying metadata files. The dataset is designed to support analyses of (1) how beaver impoundment and restoration structures alter elemental partitioning and transport, (2) the role of iron and organic carbon in mediating trace metal mobility, and (3) reach-scale changes in water quality across restoration gradients. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. Part of this work was performed at SLAC Accelerator Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-76SF00515.

Anions↗

Plasma IMS Composition Measurements for Europa, Ganymede, and the Jovian System

NASA and ESA are now planning a reduced version of the joint Europa Jupiter System Mission (EJSM), potentially including a radically descoped Jupiter Europa Orbiter (JEO) but still with magnetometer and plasma instruments. Similar field and plasma instrumentation would also reside on ESA's Jupiter Ganymede Orbiter (JGO), which conceivably could carry out multiple flybys of Europa before entering orbit at Ganymede. We are developing the 3D Ion Mass Spectrometer (IMS) designed to measure both major and minor ion species within the high radiation environment of Jupiter's magnetosphere and the icy Galilean moons. The IMS covers the energy range from 10 eV to 30 keY, wide field-of-view (FOV) capability and 10-60 sec time resolution for major ions. This instrument has two main goals: 1) measure the plasma interaction between Europa and Jupiter's magnetosphere and 2) infer the global surface composition to trace elemental and significant isotopic levels; these goals are also applicable for in-situ measurements at Ganymede and Callisto, and remotely everywhere via the iogenic plasma for 10. The first goal supports the magnetometer (MAG) measurements, primarily directed at detection of Europa's sub-surface ocean, while the second goal gives information about transfer of material between the Galilean moons, e.g. mainly from 10 to the other moons, and further allows detection of oceanic materials emergent to the moon surfaces from subsurface layers putatively including salt water oceans. Outgassed exospheric materials are probed by the IMS by measuring pickup ions accelerated up to spacecraft altitudes of approximately 100-200 km in electric fields extending through the local magnetospheric environment and moon exosphere to the surface. Our 3D hybrid kinetic model of the moon-magnetosphere interaction is used to construct a global model of electric and magnetic fields for tracing of pickup ion trajectories back to the sources at approximate surface resolution of 100 km. We show that Europa's exospheric ionosphere is dominated by pickup ions with energies of 100-1000 eV. We also expect field aligned polar ion outflows driven by ionospheric electrons via the polarization electric field at Europa; the IMS will observe such outflows and thus sample the ionosphere below spacecraft orbit altitude approximately 100 km. Based on previous Ganymede studies, we also comment on IMS applications to a Ganymede orbiter. The IMS and the Europa interaction model are respectively being developed with support from NASA's Astrobiology Instrument Development (ASTID) and Outer Planets Research (OPR) programs.

Sittler, E. C., Jr.↗

Plasma IMS Composition Measurements for Europa, Ganymede, and the Jovian Systems

NASA and ESA are now planning a reduced version of the joint Europa Jupiter System Mission (EJSM), potentially including a radically descoped Jupiter Europa Orbiter (JEO) but still with magnetometer and plasma instruments. Similar field and plasma instrumentation would also reside on ESA's Jupiter Ganymede Orbiter (JGO), which conceivably could carry out multiple flybys of Europa before entering orbit at Ganymede. We are developing the 3D Ion Mass Spectrometer (IMS) designed to measure both major and minor ion species within the high radiation environment of Jupiter s magnetosphere and the icy Galilean moons. The IMS covers the energy range from 10 eV to 30 keV, wide field-ofview (FOV) capability and 10-60 sec time resolution for major ions. This instrument has two main goals: 1) measure the plasma interaction between Europa and Jupiter s magnetosphere and 2) infer the global surface composition to trace elemental and significant isotopic levels; these goals are also applicable for in-situ measurements at Ganymede and Callisto, and remotely everywhere via the iogenic plasma for Io. The first goal supports the magnetometer (MAG) measurements, primarily directed at detection of Europa's sub-surface ocean, while the second goal gives information about transfer of material between the Galilean moons, e.g. mainly from Io to the other moons, and further allows detection of oceanic materials emergent to the moon surfaces from subsurface layers putatively including salt water oceans. Outgassed exospheric materials are probed by the IMS by measuring pickup ions accelerated up to spacecraft altitudes of approximately 100-200 km in electric fields extending through the local magnetospheric environment and moon exosphere to the surface. Our 3D hybrid kinetic model of the moon-magnetosphere interaction is used to construct a global model of electric and magnetic fields for tracing of pickup ion trajectories back to the sources at approximate surface resolution of 100 km. We show that Europa's exospheric ionosphere is dominated by pickup ions with energies of 100-1000 eV. We also expect field aligned polar ion outflows driven by ionospheric electrons via the polarization electric field at Europa; the IMS will observe such outflows and thus sample the ionosphere below spacecraft orbit altitude approximately 100 km. Based on previous Ganymede studies, we also comment on IMS applications to a Ganymede orbiter. The IMS and the Europa interaction model are respectively being developed with support from NASA's Astrobiology Instrument Development (ASTID) and Outer Planets Research (OPR) programs.

Sittler, E.↗

Estimate of contribution of jet aircraft operations to trace element concentration at or near airports

Samples of ASTM type A jet fuel were analyzed for trace-element content by instrumental neutron activation techniques. Forty-nine elements were sought. Only ten, aluminum, gold, indium, lanthanum, titanium, vandium, barium, dysprosium, tellurium, and uranium, were observed at levels above the detection limits encountered; of these only aluminum, titanium, and barium were present at concentrations greater than 0.1 ppm. Estimates of exhaust gas concentrations are made, and the ambient contribution at or near airports is calculated by using the Los Angeles International Airport dispersion model. It is shown that the ambient contribution is about an order of magnitude below typical urban levels for virtually all elements sought.

Fordyce, J. S.↗

Estimate of contribution of jet aircraft operations to trace element concentration at or near airports

Samples of ASTM type A jet fuel were analyzed for trace element content by instrumental neutron activation techniques. Forty-nine elements were sought. Only ten, aluminum, gold, indium, lanthanum, titanium, vanadium, barium, dysprosium, tellurium, and uranium, were observed at levels above the detection limits encountered; of these only aluminum, titanium, and barium were present at concentrations greater than 0.1 ppm. Estimates of exhaust gas concentrations are made, and the ambient contribution at or near airports is calculated by using the Los Angeles International Airport dispersion model. It is shown that the ambient contribution is about an order of magnitude below typical urban levels for virtually all elements sought.

Fordyce, J. S.↗

Experimental flaw detection by scattering of plate waves

The surface displacements of elastic waves scattered from a surface-breaking crack are measured with a capacitive transducer on a 2D plate, and comparisons with theoretical predictions are reported. The noncontacting detector has a wide and flat frequency response which measures the response of a glass plate to the propagation of Rayleigh-Lamb waves. A theoretical simulation of the surface displacements is generated by multiplying experimental traces with a cosine window, and Green's function is used to compute the source function. Power spectra are also recorded from the experiment to compare the results with a finite-element model of the crack, and good agreement is reported for results in both the time and frequency domains. The crack can be detected in the far field when the spacing of the receiver locations is small, and the transducer/probe appears to be a practical flaw-detection instrument.

Spetzler, Hartmut↗

Measuring Surface Bulk Elemental Composition on Venus

The extreme surface environment (462 C, 93 bars pressure) of Venus makes subsurface measurements of its bulk elemental composition extremely challenging. Instruments landed on the surface of Venus must be enclosed in a pressure vessel. The high surface temperatures also require a thermal control system to keep the instrumentation temperatures within their operational range for as long as possible. Since Venus surface probes can currently operate for only a few hours, it is crucial that the lander instrumentation be able to make statistically significant measurements in a short time. An instrument is described that can achieve such a measurement over a volume of thousands of cubic centimeters of material by using high energy penetrating neutron and gamma radiation. The instrument consists of a Pulsed Neutron Generator (PNG) and a Gamma-Ray Spectrometer (GRS). The PNG emits isotropic pulses of 14.1 MeV neutrons that penetrate the pressure vessel walls, the dense atmosphere and the surface rock. The neutrons induce nuclear reactions in the rock to produce gamma rays with energies specific to the element and nuclear process involved. Thus the energies of the detected gamma rays identify the elements present and their intensities provide the abundance of each element. The GRS spectra are analyzed to determine the Venus elemental composition from the spectral signature of individual major, minor, and trace radioactive elements. As a test of such an instrument, a Schlumberger Litho Scanner oil well logging tool was used in a series of experiments at NASA's Goddard Space Flight Center. The Litho Scanner tool was mounted above large (1.8 m x 1.8 m x.9 m) granite and basalt monuments and made a series of one-hour elemental composition measurements in a planar geometry more similar to a planetary lander measurement. Initial analysis of the results shows good agreement with target elemental assays

Venus↗

Quantitative Separation of Unknown Organic–Metal Complexes by Liquid Chromatography–Inductively Coupled Plasma-Mass Spectrometry

Dissolved organic matter (DOM) is widely recognized to control the solubility and reactivity of trace metals in the environment. However, the mechanisms that govern metal-DOM complexation remain elusive, primarily due to the analytical challenge of fractionating and quantifying metal–organic species within the complex mixture of organic compounds that comprise DOM. Here, we describe a quantitative method for fractionation and element-specific detection of organic–metal complexes using liquid chromatography with online inductively coupled plasma mass spectrometry (LC–ICP-MS). The method implements a post-column compensation gradient to stabilize ICP–MS elemental response across the LC solvent gradient, thereby overcoming a major barrier to achieving quantitative accuracy with LC–ICP-MS. With external calibration and internal standard correction, the method yields concentrations of organic–metal complexes that were consistently within 6% of their true values, regardless of the complex’s elution time. We used the method to evaluate the effects of four stationary phases (C18, phenyl, amide, and pentafluoroylphenyl propyl) on the recovery and separation of environmentally relevant trace metals (Mn, Fe, Co, Ni, Cu, Zn, Cd, and Pb) in Suwannee River Fulvic Acid and Suwannee River Natural Organic Matter. The C18, amide, and phenyl phases generally yielded optimal metal recoveries (>75% for all metals except Pb), with the phenyl phase separating polar species to a greater extent than C18 or amide. We also fractionated organic-bound Fe, Cu, and Ni in oxidized and reduced soils, revealing divergent metal-DOM speciation across soil redox environments. Finally, by enabling quantitative fractionation of DOM-bound metals, our method offers a means for advancing a mechanistic understanding of metal–organic complexation throughout the environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dual-Comb Spectroscopy to Tethered Balloon System (DCS to TBS) Field Campaign Report

There is a critical need for the ability to detect, quantify, and attribute sources and sinks of greenhouse gases (GHGs) with high temporal and spatial resolution. Current methods are typically based on continuously operating near-surface point sensors or intermittent aerial/satellite observations. Dual optical frequency comb spectroscopy (“dual-comb spectroscopy”; DCS) is a laser-based technique that can bridge this sensing gap by providing high-precision, high-accuracy, and high-temporal-resolution detection and quantification of trace gases over kilometer-length scales, connecting local and regional observations. A single DCS system can also provide spatial resolution for source/sink attribution with the addition of a few minor optical elements, enabling cross-validation of other observations (e.g., Total Carbon Column Observing Network [TCCON], Orbiting Carbon Observatory [OCO-2/3], Greenhouse Gases Observing Satellite [GOSAT-1/2][).

54 ENVIRONMENTAL SCIENCES↗

Use of Tracer Elements for Estimating Community Exposure to Marcellus Shale Development Operations

Since 2009, unconventional natural gas development (UNGD) has significantly increased in Appalachia’s Marcellus Shale formation. Elevations of fine particulate matter <2.5 µm (PM2.5), have been documented in areas surrounding drilling operations during well stimulation. Furthermore, many communities are experiencing increased industrial activities and probable UNGD air pollutant exposures. Recent studies have associated UNGD emissions with health effects based on distances from well pads. In this study, PM2.5 filter samples were collected on an active gas well pad in Morgantown, West Virginia, and three locations downwind during hydraulic stimulation. Fine particulate samples were analyzed for major and trace elements. An experimental source identification model was developed to determine which elements appeared to be traceable downwind of the UNGD site and whether these elements corresponded to PM2.5 measurements. Results suggest that 1) magnesium may be useful for detecting the reach of UNGD point source emissions, 2) complex surface topographic and meteorological conditions in the Marcellus Shale region could be modeled and confounding sources discounted, and 3) well pad emissions may be measurable at distances of at least 7 km. If shown to be more widely applicable, future tracer studies could enhance epidemiological studies showing health effects of UNGD-associated emissions at ≥15 km.

60 APPLIED LIFE SCIENCES↗

Apatites in Gale Crater

ChemCam is an active remote sensing instrument suite that has operated successfully on MSL since landing Aug. 6th, 2012. It uses laser pulses to remove dust and to analyze rocks up to 7 m away. Laser-induced breakdown spectroscopy (LIBS) obtains emission spectra of materials ablated from the samples in electronically excited states. The intensities of the emission lines scale with the abundances of the related element. ChemCam is sensitive to most major rock-forming elements as well as to a set of minor and trace elements such as F, Cl, Li, P, Sr, Ba, and Rb. The measured chemical composition can then be used to infer the mineralogical composition of the ablated material. Here, we report a summary of inferred apatite detections along the MSL traverse at Gale Crater. We present the geologic settings of these findings and derive some interpretations about the formation conditions of apatite in time and space.

Forni, O.↗

Body burden of toxic metals and rare earth elements in non-smokers, cigarette smokers and electronic cigarette users

Highlights: • The role of smoking as a source for 42 inorganic element intakes was explored. • The exposure levels of non-smoker, cigarette smokers and e-cigarette users was compared. • Cigarette smokers showed the highest levels of Cu, Mo, Zn, Sb, and Sr. • E-cigarettes users presented the highest concentrations of Se, Ag, and V. • Be, Eu and La were detected more frequently among e-cigarette users. Smoking is considered an important source for inorganic elements, most of them toxic for human health. During the last years, there has been a significant increase in the use of e-cigarettes, although the role of them as source of inorganic elements has not been well established. A cross-sectional study including a total of 150 subjects from Brasov (Romania), divided into three groups (non-smokers, cigarette smokers and electronic cigarettes smokers) were recruited to disclose the role of smoking on the human exposure to inorganic elements. Concentration of 42 elements, including trace elements, elements in the ATSDR's priority pollutant list and rare earth elements (REE) were measured by ICP-MS in the blood serum of participants. Cigarette smokers showed the highest levels of copper, molybdenum, zinc, antimony, and strontium. Electronic cigarette (e-cigarette) users presented the highest concentrations of selenium, silver, and vanadium. Beryllium, europium and lanthanides were detected more frequently among e-cigarette users (20.6%, 23.5%, and 14.7%) than in cigarette smokers (1.7%, 19.0%, and 12.1%, respectively); and the number of detected REE was also higher among e-cigarette users (11.8% of them showed more than 10 different elements). Serum levels of cerium and erbium increased as the duration of the use of e-cigarettes was longer. We have found that smoking is mainly a source of heavy metals while the use of e-cigarettes is a potential source of REE. However, these elements were detected at low concentrations.

54 ENVIRONMENTAL SCIENCES↗

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool

Due to the sheer volume of data it is typically impractical to analyze the detailed performance of an HPC application running at-scale. While conventional small-scale benchmarking and scaling studies are often sufficient for simple applications, many modern workflow-based applications couple multiple elements with competing resource demands and complex inter-communication patterns for which performance cannot easily be studied in isolation and at small scale. This work discusses Chimbuko, a performance analysis framework that provides real-time, in situ anomaly detection. By focusing specifically on performance anomalies and their origin (aka provenance), data volumes are dramatically reduced without losing necessary details. To the best of our knowledge, Chimbuko is the first online, distributed, and scalable workflow-level performance trace analysis framework. We demonstrate the tool's usefulness on Oak Ridge National Laboratory's Summit system.

97 MATHEMATICS AND COMPUTING↗

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool

ABSTRACT Due to the sheer volume of data it is typically impractical to analyze the detailed performance of an HPC application running at-scale. While conventional small-scale benchmarking and scaling studies are often sufficient for simple applications, many modern workflow-based applications couple multiple elements with competing resource demands and complex inter-communication patterns for which performance cannot easily be studied in isolation and at small scale. This work discusses Chimbuko, a performance analysis framework that provides real-time, in situ anomaly detection. By focusing specifically on performance anomalies and their origin (aka provenance), data volumes are dramatically reduced without losing necessary details. To the best of our knowledge, Chimbuko is the first online, distributed, and scalable workflow-level performance trace analysis framework. We demonstrate the tool's usefulness on Oak Ridge National Laboratory's Summit system.

97 MATHEMATICS AND COMPUTING↗

Chronology and petrogenesis of young achondrites, Shergotty, Zagami, and ALHA77005 - Late magmatism on a geologically active planet

Three achondrites were examined for chronology, petrogenesis, and relationships among the shergotites. Isotopic and trace elements analyses were carried out through neutron activation and mass spectrometry on Shergotty, Zagami, and ALHA77005 samples. Attention was given the Rb-Sr, Sm-Nd, and the Ar-39/Ar-40 ages in the samples. Evidence was detected for a shock metamorphism and a younger age of the meteorites than with most other achondrites. Depletions of the rare-earth elements were observed in Shergotty and Zagami, and to a more pronounced degree in ALHA77005. The Rb-Sr internal isochrons for all three meteorites were about 180 Myr, while the Ar-39/Ar-40 plateau ages of Shergotty and Zagami maskelynite were determined at 250-260 Myr. No precise identification of the crystallization ages was found. It is suggested that the achondrites originated in a parent body which experienced at least two epochs of sustained melting.

Shih, C.-Y.↗