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At least 829 records · Page 46

Low-mass Group Environments Have No Substantial Impact on the Circumgalactic Medium Metallicity

We explore how environment affects the metallicity of the circumgalactic medium (CGM) using 13 low-mass galaxy groups (two to five galaxies) at &lang;z{sub abs}&rang;=0.25 identified near background quasars. Using quasar spectra from the Hubble Space Telescope/COS and from Keck/HIRES or the Very Large Telescope/UVES, we measure column densities of or determine limits on CGM absorption lines. We use a Markov Chain Monte Carlo approach with Cloudy to estimate metallicities of cool (T ~ 10{sup 4} K) CGM gas within groups and compare them to CGM metallicities of 47 isolated galaxies. Both group and isolated CGM metallicities span a wide range (-2 < [Si/H] < 0), where the mean group (-0.54 ± 0.22) and isolated (-0.77 ± 0.14) CGM metallicities are similar. Group and isolated environments have similar distributions of H I column densities as a function of impact parameter. However, contrary to isolated galaxies, we do not find an anticorrelation between H I column density and the nearest group galaxy impact parameter. We additionally divided the groups by member luminosity ratios (i.e., galaxy–galaxy and galaxy–dwarf groups). While there was no significant difference in their mean metallicities, a modest increase in sample size should allow one to statistically identify a higher CGM metallicity in galaxy–dwarf groups compared to galaxy–galaxy groups. We conclude that either environmental effects have not played an important role in the metallicity of the CGM at this stage and expect that this may only occur when galaxies are strongly interacting or merging or that some isolated galaxies have higher CGM metallicities due to past interactions. Thus, environment does not seem to be the cause of the CGM metallicity bimodality.

79 ASTRONOMY AND ASTROPHYSICS↗

Results from Electrochemical Leach Experiments under the DOE Technical Assistant Program

The activities described in this (report) are related to the analysis and testing of graphite and mine tailing samples provided by the Recipient for the extraction and recovery of embedded metals. This report focused on recovery of platinum group metals (PGMs), which appear in relatively high abundance, particularly technically important elements ruthenium and rhodium. Work performed involved assessment of materials followed by extraction tests using two methods. A novel electrochemically-driven route was compared to a chemical route for extraction of the metals. The electrochemically driven route showed similar results while producing the lixiviant in the electrochemical cell, hence reducing chemical requirements.

42 ENGINEERING↗

The HTR-Proteus Benchmark: Analysis and Use as a Verification and Validation Case

This presentation outlines the evaluation and application of the HTR-Proteus benchmark as a verification and validation (V&V) case for advanced reactor modeling tools. The work supports the U.S. Department of Energy’s HALEU Availability Program (HAP) and the joint DOE/NRC DNCSH project, which aims to reduce criticality safety uncertainties in commercial-scale HALEU fuel cycle and transportation systems. The HTR-Proteus experiments, conducted at the Paul Scherrer Institute, provide high-fidelity data for TRISO-fueled, graphite-moderated pebble bed reactors with high neutron leakage—conditions relevant to HALEU transport scenarios. This study focuses on Cores 4.2 and 4.3 of the HTR-Proteus benchmark, analyzing key sources of uncertainty including pebble packing, TRISO particle positioning, and core height. Using Project Chrono for realistic pebble geometries and Serpent, SHIFT, and MCNP for neutronics simulations, the study quantifies the impact of these uncertainties on the effective multiplication factor (keff). Results show that a sample size of 110 pebble configurations is sufficient to converge keff, with ±30 pcm uncertainty due to packing randomness. TRISO positioning and core height variations also significantly influence keff, highlighting the importance of detailed modeling in V&V efforts. The benchmark serves as a valuable test case for validating the Griffin reactor physics code and improving confidence in HALEU system simulations.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Stable Water Isotope Data for the East River Watershed, Colorado (2014-2025)

The stable water isotope data for the East River Watershed, Colorado, consists of delta2H (hydrogen) and delta18O (oxygen) values from samples collected at multiple, long-term monitoring sites including streams, groundwater wells, springs, and a precipitation collector used to establish a local meteoric water line (LMWL) for the watershed. These locations represent important and/or unique end-member locations for which stable isotope values can be diagnostic of the connection between precipitation inputs as snow and rain and riverine export. Such locations include drainages underline entirely or largely by shale bedrock, land covered dominated by conifers, aspens, or meadows, and drainages impacted by historic mining activity and the presence of naturally mineralized rock. Developing a long-term record of water isotope values from a diversity of environments is a critical component of quantifying the impacts of both climate change and discrete climate perturbations, such as drought, forest mortality, and wildfire, on water export. Such data may be combined with stream gaging stations co-located at each surface water monitoring site to relate seasonal variations in water export to their stable isotopic signature. Data for liquid water delta2H and delta18O values are reported in units of parts per thousand (per-mil; ‰). This data package contains (1) a zip file (isotope_data_2014-2025.zip) containing a total of 95 files: 96 data files of isotope data from across the Lawrence Berkeley National Laboratory (LBNL) Watershed Function Scientific Focus Area (SFA) which is reported in .csv files per location and a locations.csv (1 file) with latitude and longitude for each location; (2) a file-level metadata (v6_20260901_flmd.csv) file that lists each file contained in the dataset with associated metadata; and (3) a data dictionary (v6_20260901_dd.csv) file that contains terms/column_headers used throughout the files along with a definition, units, and data type. Missing values within the anion data files are noted as either "-9999" or "0.0" for not detectable (N.D.) data. There are a total of 43 locations containing isotope data. Update on 2022-06-10: versioned updates to this dataset was made along with these changes: (1) updated isotope data for all locations up to 2021-12-31 and (2) the addition of the file-level metadata (flmd.csv) and data dictionary (dd.csv) were added to comply with the File-Level Metadata Reporting Format. Update on 2022-09-09: Updates were made to reporting format specific files (file-level metadata and data dictionary) to correct swapped file names, add additional details on metadata descriptions on both files, add a header_row column to enable parsing, and add version number and date to file names (v2_20220909_flmd.csv and v2_20220909_dd.csv). Update on 2023-08-08: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2023-03-13. The file level metadata and data dictionary files were updated to reflect the additional data added. Update on 2024-03-11: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2024-02-19. Further, revisions to the data files were made to remove incorrect data points (from 1970 and 2001). The reporting format specific files were updated to reflect the additional data added. Update on 2025-05-15: Updates were made to both the data files and reporting format specific files. New available isotope data was added, up until the end of WY2024 (September 30, 2024). International Generic Sample Numbers (IGSNs), when registered, were added to the data files. The reporting format specific files were updated to reflect the additional data added. Update on 2026-09-01: Updates were made to both the data files and reporting format specific files. New available isotope data was added, up until the end of WY2025 (September 30, 2025).

54 ENVIRONMENTAL SCIENCES↗

The microbiome structure of decomposing plant leaves in soil depends on plant species, soil pore sizes, and soil moisture content

Microbial communities are known as the primary decomposers of all the carbon accumulated in the soil. However, how important soil structure and its conventional or organic management, moisture content, and how different plant species impact this process are less understood. To answer these questions, we generated a soil microcosm with decomposing corn and soy leaves, as well as soil adjacent to the leaves, and compared it to control samples. We then used high-throughput amplicon sequencing of the ITS and 16S rDNA regions to characterize these microbiomes. Leaf microbiomes were the least diverse and the most even in terms of OTU richness and abundance compared to near soil and far soil, especially in their bacterial component. Microbial composition was significantly and primarily affected by niche (leaves vs. soil) but also by soil management type and plant species in the fungal microbiome, while moisture content and pore sizes were more important drivers for the bacterial communities. The pore size effect was significantly dependent on moisture content, but only in the organic management type. Overall, our results refine our understanding of the decomposition of carbon residues in the soil and the factors that influence it, which are key for environmental sustainability and for evaluating changes in ecosystem functions.

16S rDNA↗

Evaluation of a Reference-Free Collision Cross Section Calibration Strategy for Proteomics Using SLIM-Based High-Resolution Ion Mobility Spectrometry–Mass Spectrometry

Ion mobility spectrometry (IMS) is a gas-phase analytical technique that separates ions with different sizes and shapes and is compatible with mass spectrometry (MS) to provide an additional separation dimension. The rapid nature of the IMS separation combined with the high sensitivity of MS-based detection and the ability to derive structural information on analytes in the form of the property collision cross section (CCS) makes IMS particularly well-suited for characterizing complex samples in -omics applications. In such applications, the quality of CCS from IMS measurements is critical to confident annotation of the detected components in the complex -omics samples. However, most IMS instrumentation in mainstream use requires calibration to calculate CCS from measured arrival times, with the most notable exception being drift tube IMS measurements using multifield methods. The strategy for calibrating CCS values, particularly selection of appropriate calibrants, has important implications for CCS accuracy, reproducibility, and transferability between laboratories. The conventional approach to CCS calibration involves explicitly defining calibrants ahead of data acquisition and crucially relies upon availability of reference CCS values. In this work, we present a novel reference-free approach to CCS calibration which leverages trends among putatively identified features and computational CCS prediction to conduct calibrations post-data acquisition and without relying on explicitly defined calibrants. We demonstrated the utility of this reference-free CCS calibration strategy for proteomics application using high-resolution structures for lossless ion manipulations (SLIM)-based IMS-MS. In conclusion, we first validated the accuracy of CCS values using a set of synthetic peptides and then demonstrated using a complex peptide sample from cell lysate.

59 BASIC BIOLOGICAL SCIENCES↗

Accelerating Low-Income Financing and Transactions (LIFT) for Solar Access Everywhere (Final Technical Report)

The Accelerating Low-Income Financing and Transactions (LIFT) for Solar Access Everywhere project’s goal was to expand Low-to-Moderate Income (LMI) solar access for homeowners and renters. The LIFT project researched and gathered data on 453 LMI community solar project across the country. Following three years of research, the project delivered three groundbreaking research papers in June 2022, focused on 1) customer experience, 2) the growth of community solar programs, and 3) project-level financial best practices for serving LMI communities. These were followed by a user-friendly web-based Toolkit allowing users to interact with project data and key findings in November 2022. The customer experience research examined community solar subscribers’ primary motivations to join and remain satisfied with projects. Our research identified 453 projects across the country that dedicated some portion of the system capacity to LMI households. Seventeen of these projects participated in the LIFT customer experience research, allowing the project team to survey their customers and gain insight into how LMI subscribers feel about community solar and the programs that serve them. Subscribers in our sample indicated that the most critical issue that motivated them to participate in their program, however, was not savings but helping the environment. This was true for both LMI and non-LMI subscribers. Helping the environment was also the most important issue for LMI subscribers to measure how well their program was working for them. LIFT also explored how rapidly community solar has grown since its inception in 2006, publishing results in the Growth of U.S. Community Solar Serving LMI Households report. The results showed that community solar projects serving LMI households are one of the fastest growing segments of the solar industry. The report identifies and recommends ways developers should overcome real or perceived risks to LMI customer acquisition and subscriber management. Through the analysis of community solar project finance research, LIFT showed that most community solar projects serving LMI households are financed in the same ways mainstream community solar projects are financed. The value stacks and financial returns are no different, although LMI inclusion and participation rate varied across programs in our sample, ranging from between 10% and 100%. Based on the findings from the LIFT research, the team built a web-based user-friendly Toolkit, consisting of case studies, project finance best practices, and several tools built around the national dataset of 453 community solar projects that serve LMI households. These allow users to engage with the dataset in multiple ways; to explore the landscape of LMI community solar in the U.S., and to design community solar projects to optimize LMI inclusion, equity, and savings levels. The Toolkit also includes a library of LIFT-generated and LIFT-curated resources for users to learn more about how to best serve LMI communities through community solar. LIFT officially published the Toolkit on October 31, 2022, followed by a launch event (public webinar) on November 17, 2022. The core LIFT partners continue to engage in outreach and dissemination efforts to promote the LIFT Toolkit and research publications. Our driving motivation is to continue enabling solar developers to leverage the findings of this three-year research effort. By implication, the LIFT Toolkit is designed for use by utilities, energy service providers, and financiers or investors as a learning and decision-making tool to rapidly scale project models that optimize LMI inclusion and maximize real household savings.

14 SOLAR ENERGY↗

Relating Texture and Thermomechanical Processing Variables in Mg–Zn–Ca Alloys

It is well known that the strong basal texture commonly produced in magnesium alloy sheets leads to poor formability at room temperature. A sizable body of work has explored how changing the alloy composition and rolling conditions can yield more desirable textures; however important thermomechanical variables, such as the feed rate during rolling, are often not included in the literature, making it difficult to correlate how changes in processing affect the final crystallographic texture. This work explores the texture evolution and grain refinement in Mg-Zn-Ca alloys during plane strain compression (PSC) using a Gleeble thermomechanical simulator. This instrument allows for precise control and capture of the thermomechanical history of the sample. The texture and grain morphology of the compressed samples were characterized using Electron Backscatter Diffraction (EBSD). The texture results will be used to identify which alloys and processing conditions should be scaled up for future rolling studies.

36 MATERIALS SCIENCE↗

Coupling dynamic in situ X-ray micro-imaging and indentation: A novel approach to evaluate micromechanics applied to oil shale

Oil and gas shales are a system where understanding the mechanical properties at the microscale is of paramount importance, e.g. to better understand the behavior of proppant-shale contacts and their role in the evolution of propped fractures in unconventional reservoirs. Here we show for the first time an experiment coupling indentation testing with in situ X-ray imaging in a Green River shale sample. A full compliance curve has been measured with the sample in water, allowing to visualize the indentation of the sample in function of axial load, in a purpose-built system for combined in situ indentation and X-ray imaging. A series of 3D datasets were used for a digital volume correlation study to obtain local strain fields. This analysis has been complemented with the analysis of cracks. Finally, geomechanical modeling has been carried out to replicate and generalize the observed behavior in the shale. This study validated this experimental approach, providing a breakthrough in understanding micro-mechanics in shales, and demonstrates how this class of experiments can be important for studies involving the prediction of the evolution of propped fractures in shale reservoirs, with possible applications in a much larger number of application fields (geothermal, materials science, etc.)

04 OIL SHALES AND TAR SANDS↗

The Milky Way Revealed by Variable Stars. I. Sample Selection of RR Lyrae Stars and Evidence for Merger History

In order to study the Milky Way, RR Lyrae (RRL) variable stars identified by Gaia, ASAS-SN, and ZTF sky survey projects have been analyzed as tracers in this work. Photometric and spectroscopic information of 3417 RRLs including proper motions, radial velocity, and metallcity are obtained from observational data of Gaia, LAMOST, GALAH, APOGEE, and RAVE. Precise distances of RRLs with typical uncertainties less than 3% are derived by using a recent comprehensive period–luminosity–metallicity relation. Our results from kinematical and chemical analysis provide important clues for the assembly history of the Milky Way, especially for the Gaia–Sausage ancient merger. The kinematical and chemical trends found in this work are consistent with those of recent simulations that indicated that the Gaia–Sausage merger had a dual origin in the Galactic thick disk and halo. As recent similar works have found, the halo RRL sample in this work contains a subset of radially biased orbits besides a more isotropic component. This higher orbital anisotropy component amounts to β ≃ 0.8, and it contributes between 42% and 83% of the halo RRLs at 4 < R( kpc) < 20.

79 ASTRONOMY AND ASTROPHYSICS↗

STITCHES: creating new scenarios of climate model output by stitching together pieces of existing simulations

Abstract. Climate model output emulation has long been attempted to support impact research, mainly to fill in gaps in the scenario space. Given the computational cost of running coupled earth system models (ESMs), which are usually the domain of supercomputers and require on the order of days to weeks to complete a century-long simulation, only a handful of different scenarios are usually chosen to externally force ESM simulations. An effective emulator, able to run on standard computers in times of the order of minutes rather than days could therefore be used to derive climate information under scenarios that were not run by ESMs. Lately, the necessity of accounting for internal variability has also made the availability of initial-condition ensembles, under a specific scenario, important, further increasing the computational demand. At least so far, emulators have been limited to simplified ESM-like output, either seasonal, annual, or decadal averages of basic quantities, like temperature and precipitation, often emulated independently of one another. With this work, we propose a more comprehensive solution to ESM output emulation. Our emulator, STITCHES, uses existing archives of earth system models' (ESMs) scenario experiments to construct ESM-like output under new scenarios or enrich existing initial-condition ensembles, which is what other emulators also aim to do. Importantly, however, STITCHES' output has the same characteristics of the ESM output it sets out to emulate: multivariate, spatially resolved, and high frequency, representing both the forced component and the internal variability around it. STITCHES extends the idea of time sampling – according to which climate outcomes are stratified by the global warming level at which they manifest themselves, irrespective of the scenario and time at which they occur – to the construction of a continuous history of ESM-like output over the whole 21st century, consistent with a 21st-century trajectory of global surface air temperature (GSAT) derived from the scenario that has been chosen as the target of the emulation. STITCHES does so by first splitting the target GSAT trajectory into decade-long windows, then matching each window in turn to a decade-long window within an existing model simulation from the available scenario runs according to its proximity to the target in absolute size of the temperature anomaly and its rate of change. A look-up table is therefore created of a sequence of existing experiment–time-window combinations that, when stitched together, create a GSAT trajectory “similar” to the target. Importantly, we can then stitch together much more than GSAT from these windows, i.e., any output that the ESM has saved for these existing experiment–time-window combinations, at any frequency and spatial scale available in its archive. We show that the stitching does not introduce artifacts in the great majority of cases (we look at temperature and precipitation at monthly frequency and on the native grid of the ESM and at an index of ENSO activity, the Southern Oscillation Index). This is true even if the criteria for the identification of the decades to be stitched together are chosen to work for a smoothed time series of annual GSAT, a result we expect given the larger amount of noise affecting most other variables at finer spatial scales and higher frequencies, which therefore are more “forgiving” of the stitching. We successfully test the method's performance over many ESMs and scenarios. Only a few exceptions surface, but these less-than-optimal outcomes are always associated with a scarcity of the archived simulations from which we can gather the decade-long windows that form the building blocks of the emulated time series. In the great majority of cases, STITCHES' performance is satisfactory according to metrics that reward consistency in trends, interannual and inter-ensemble variance, and autocorrelation structure of the time series stitched together. The method therefore can be used to create ESM-like output according to new scenarios, on the basis of a trajectory of GSAT produced according to that scenario, which could be easily obtained by a simple climate model. It can also be used to increase the size of existing initial-condition ensembles. There are aspects of our emulator that will immediately disqualify it for specific applications, like when climate information is needed whose characteristics result from accumulated quantities over windows of times longer than those used as pieces by STITCHES, droughts longer than a decade for example. But for many applications, we argue that a stitched product can satisfy the climate information needs of impact researchers. STITCHES cannot emulate ESM output from scenarios that result in GSAT trajectories outside of the envelope available in the archive, nor can it emulate trajectories with shapes different from existing ones (overshoots with negative derivative, for example). Therefore, the size and characteristics of the available archives of ESM output are the principal limitations for STITCHES' deployment. Thus, we argue for the possibility of designing scenario experiments within, for example, the next phase of the Coupled Model Intercomparison Project according to new principles, relieved of the need to produce a number of similar trajectories that vary only in radiative forcing strength but more strategically covering the space of temperature anomalies and rates of change.

54 ENVIRONMENTAL SCIENCES↗

GaAs-based superlattice photocathodes manufactured using MOCVD provide spin polarization > 90% and quantum efficiency > 1%

Spin-polarized electron beams are important for nuclear physics research performed at electron accelerators. Over many years, beam polarization has increased significantly, from 35% provided by unstrained bulk GaAs, to ~ 75% using single strained-layer GaAs, to ~ 90% using strained-superlattice GaAs photocathodes grown using molecular beam epitaxy (MBE). Commercial vendors once provided high-polarization photocathodes but today there is little interest in supporting this small market. Here, we report successful results fabricating high polarization GaAs/GaAsP superlattice photocathodes using metal organic chemical vapor deposition (MOCVD), a method dismissed by some as not providing sufficient control of layer thickness and uniformity. The best samples provide spin polarization greater than 90% and quantum efficiency (QE) exceeding 2%, with QE enhanced using a distributed Bragg reflector (DBR) incorporated into the structure. Together, these quantities represent some of the best results ever reported for high polarization photocathodes. Enhanced QE via DRB is very important for future work at CEBAF/Jefferson Lab because it will simplify the production of polarized electron beams at milliampere current needed for a polarized positron source.

Poelker, Matt↗

Mechanical Consequences of Oxygen Inhibition in Vat Polymerization

Vat polymerization is a type of additive manufacturing that is used extensively to produce micro-architected structures for mechanical applications, which brings the mechanical properties of photopolymerized resins into sharp focus. However, it is known that photopolymerization is sensitive to a number of factors, perhaps the most notorious of which is oxygen inhibition. Herein, the degree to which oxygen inhibition influences the macroscopic and microscopic properties of structures made using vat polymerization is explored. This work is motivated by an observation of lattices being >4 times softer in the experiment than predicted by simulation, which is hypothesized to be due to the material at the surface being incompletely cured. Furthermore, this hypothesis is supported by four-point bending tests in which flexural modulus is found to increase with beam thickness. Nanoindentation and bulk compression studies show that this surface softening is present for three distinct resins. Importantly, it is observed that structures post-print cured in nitrogen are stiffer than those post-print cured in air, however, regardless of the post-print curing environment, printing samples in the presence of oxygen makes them softer than samples photocured in nitrogen. Collectively, these results show the outsized influence of oxygen inhibition on micro-architected structures realized using vat polymerization.

36 MATERIALS SCIENCE↗

Hierarchical reconstruction of 3D well-connected porous media from 2D exemplars using statistics-informed neural network

The relationships between porous microstructures and transport properties are of fundamental importance in various scientific and engineering applications. Due to the intricacy, stochasticity and heterogeneity of porous media, reliable characterization and modeling of transport properties often require a complete dataset of internal microstructure samples. However, it is often an unbearable cost to acquire sufficient 3D digital microstructures by purely using microscopic imaging systems. Herein this paper presents a machine learning-based technique to hierarchically reconstruct 3D well-connected porous microstructures from one isotropic or several anisotropic low-cost 2D exemplar(s). To compactly characterize the large-scale microstructural features, a Gaussian image pyramid is built for each 2D exemplar. Local morphology patterns are collected from the Gaussian image pyramids, and then they serve as the training data to embed the 2D morphological statistics into feed-forward neural networks at multiple length levels. By using a specially-developed morphology integration scheme, the 3D morphological statistics at different levels can be inferred from the statistics-informed neural networks. Gibbs sampling is adopted to hierarchically reconstruct 3D microstructures by using multi-level 3D morphological statistics, where the large-scale, regional and local morphological patterns are statistically generated and successively added to the same 3D random field. The proposed method is tested on a series of porous media with distinct morphologies, and the statistical equivalence between the reconstructed and the real microstructures is systematically evaluated by comparing morphological descriptors and transport properties. The results demonstrate that the proposed 2D-to-3D microstructure reconstruction method is a universal and efficient approach to generating morphologically and physically realistic samples of porous media.

42 ENGINEERING↗

Experimental and theoretical investigation into the high pressure deflagration products of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

Diamond anvil cell (DAC) laser ignition experiments and reactive ab initio molecular dynamics (AIMD) simulations were performed on the high explosive (HE) LLM-105 to investigate its high pressure (HP) deflagration chemistry. Raman and optical spectroscopy measurements reveal LLM-105 reacts into an opaque carbonaceous product at 4–25 GPa. At pressures >~ 27 GPa, the reaction product consists of an amorphous optically transparent solid and nitrogen (N 2 ) in the solid phase. While not a one-to-one comparison due to the small time and length scales, the HP AIMD simulations show that some of the product is molecular N 2 , in qualitative agreement with experiment, while above 20 GPa most of the product consists of large amorphous C x H y N z O k clusters. Clustering is enhanced with pressure and reduces with temperature. In the experiments with initial sample pressure >~ 25 GPa, the pressure within the DAC decreases with minimal change in DAC cavity area. At initial sample pressures of 43.9 GPa, when quenched to 0 K, simulations predict a product experiencing a lower pressure consistent with the experimental measurement at lower load pressures. In conclusion, the results are important for understanding the HP deflagration chemistry of LLM-105.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Three-Dimensional Mass Spectrometric Imaging of Biological Structures Using a Vacuum-Compatible Microfluidic Device

Three-dimensional (3D) molecular imaging of biological structures is important for a wide range of research. In recent decades, secondary ion mass spectrometry (SIMS) has been recognized as a powerful technique for both two-dimensional (2D) and 3D molecular imaging. Sample fixations (e. g., chemical fixation and cryogenic fixation methods) are necessary to adapt biological samples to the vacuum condition in the SIMS chamber, which has been demonstrated to be non-trivial and less controllable, thus limiting the wider application of SIMS on 3D molecular analysis of biological samples. Our group recently developed in situ liquid SIMS that offers great opportunities for the molecular study of various liquids and liquid interfaces. In this work, we demonstrate that a further development of the vacuum-compatible microfluidic device used in in situ liquid SIMS provides a convenient freeze-fixation of biological samples and leads to more controllable and convenient 3D molecular imaging. The special design of this new vacuum-compatible liquid chamber allows an easy determination of sputter rates of ice, which is critical for calibrating the depth scale of frozen biological samples. Sputter yield of a 20 keV Ar 1800 + ion on ice has been determined as 1500 (± 8%) water molecules per Ar 1800 + ion, consistent with our results from molecular dynamics simulations. Moreover, using the information of ice sputter yield, we successfully conduct 3D molecular imaging of frozen homogenized milk and observe network structures of interesting organic and inorganic species. Finally, taken together, our results will significantly benefit various research fields relying on 3D molecular imaging of biological structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The diversity of aluminum-based drinking water treatment residuals for use in environmental remediation

Drinking water treatment residuals (DWTRs) are complex mixtures of organic and inorganic phases generally disposed of as waste materials. However, their strong sorptive properties could be further exploited to immobilize contaminants. To characterize these materials, we applied a range of analytical techniques to a set of aluminum-based DWTRs. Here we determined surface areas, elemental compositions using CHNS analysis and X-ray fluorescence (XRF), performed thermogravimetric analyses paired with mass spectrometry (TGA-MS), and used synchrotron-based methods: X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Elemental analyses and specific surface area measurements – that vary between 7.23 ± 0.03 and 197.6 ± 0.9 m 2 g –1 – indicate that non-coagulant additives must play an important role in controlling sorption. High resolution powder XRD reveals the presence of only a few crystalline minerals mostly derived from source waters or additives. Fe was detected by XRF in all samples, whereas Mn was present in significant levels in samples with potassium permanganate as additive. The chemical speciation of these elements was characterized by performing spectral decompositions of XAS spectra. The spectral features of Fe are consistent with iron(III) oxides/hydroxides and structural iron in clays. On the other hand, Mn is predominantly present under its reduced form, Mn(II).

54 ENVIRONMENTAL SCIENCES↗

Detection and quantification of trace technetium in the presence of molybdenum using laser-induced breakdown spectroscopy

Technetium (Tc) is a very important element that is encountered in many aspects, from its presence in radioactive waste and its potential environmental impact to its use as a medical radioisotope. Its detection and quantification in liquid samples is traditionally cumbersome, involving detailed sample preparation and analysis by mass spectrometry or scintillation. This article demonstrates the first comprehensive emission spectral analysis of Tc from a liquid sample by immobilization in a polymer and analysis by laser-induced breakdown spectroscopy (LIBS). A survey of LIBS spectra was completed to identify the strongest analytical lines for quantification of trace Tc in the presence of Mo. The quantification of Tc in a Mo-containing matrix was selected because Tc radioisotopes are the daughter products of Mo isotope decay. The first reported calibration curves by LIBS are provided with limits of detection and quantification down to 0.710 µg mL −1 and 1.39 µg mL −1 , respectively. Ultimately, this study demonstrated the feasibility of trace Tc quantification using LIBS and will serve as a reference for future research related to monitoring this radioactive species.

Andrews, Hunter B. [Oak Ridge National Laboratory ↗