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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The mechanism for acetate formation in electrochemical CO (2) reduction on Cu: selectivity with potential, pH, and nanostructuring

Nanostructured Cu catalysts have increased the selectivities and geometric activities for high value C–C coupled (C 2 ) products (ethylene, ethanol, and acetate) in the electrochemical CO (2) reduction reaction (CO (2) RR). The selectivity among the high-value C 2 products is also altered, where for instance the yield of acetate increases with alkalinity and is dependent on the catalyst morphology. The reaction mechanisms behind the selectivity towards acetate vs. other C 2 products remain controversial. In this work, we elucidate the reaction mechanism for acetate formation by using ab initio simulations, a coupled kinetic-transport model, and loading dependent experiments. We find that trends in acetate selectivity can be rationalized from variations in electrolyte pH and the local mass transport properties of the catalyst and not from changes in Cu's intrinsic activity. The selectivity mechanism originates from the transport of ketene, a stable (closed shell) intermediate, away from the catalyst surface into solution where it reacts to form acetate. While this type of mechanism has not yet been discussed in the CO (2) RR, variants of it may explain similar selectivity fluctuations observed for other stable intermediates like CO and acetaldehyde. Our proposed mechanism suggests that acetate selectivity increases with increasing pH, decreasing catalyst roughness and significantly varies with the applied potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The MASSIVE Survey. XVI. The Stellar Initial Mass Function in the Center of MASSIVE Early-type Galaxies

The stellar initial mass function (IMF) is a fundamental property in the measurement of stellar masses and galaxy star formation histories. In this work, we focus on the most massive galaxies in the nearby universe $\mathrm{log}({M}_{\star }/\,{M}_{\odot })\gt 11.2$. We obtain high-quality Magellan/LDSS-3 long-slit spectroscopy with a wide wavelength coverage of 0.4–1.01 μm for 41 early-type galaxies (ETGs) in the MASSIVE survey and derive high signal-to-noise spectra within an aperture of R e /8. Using detailed stellar synthesis models, we constrain the elemental abundances and stellar IMF of each galaxy through full spectral modeling. All the ETGs in our sample have an IMF that is steeper than a Milky Way (Kroupa) IMF. The best-fit IMF mismatch parameter, α IMF = (M/L)/(M/L) MW , ranges from 1.1 to 3.1, with an average of $\langle$α IMF $\rangle$ = 1.84, suggesting that on average, the IMF is more bottom heavy than Salpeter. Comparing the estimated stellar masses with the dynamical masses, we find that most galaxies have stellar masses that are smaller than their dynamical masses within the 1σ uncertainty. We complement our sample with lower-mass galaxies from the literature and confirm that $\mathrm{log}({\alpha }_{\mathrm{IMF}})$ is positively correlated with $\mathrm{log}(\sigma )$, $\mathrm{log}({M}_{\star })$, and $\mathrm{log}({M}_{\mathrm{dyn}})$. From the combined sample, we show that the IMF in the centers of more massive ETGs is more bottom heavy. In addition, we find that $\mathrm{log}({\alpha }_{\mathrm{IMF}})$ is positively correlated with both [Mg/Fe] and the estimated total metallicity [Z/H]. We find suggestive evidence that the effective stellar surface density Σ Kroupa might be responsible for the variation of α IMF . We conclude that σ, [Mg/Fe], and [Z/H] are the primary drivers of the global stellar IMF variation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Amazonian fog harbors viable microbes

Fog formation over tropical forests remains poorly characterized, despite its potential role in bioaerosol dispersion and ecosystem processes. Here, we analyzed fog samples collected at the Amazon Tall Tower Observatory using flow cytometry and culture-based techniques to characterize viable microbial communities. Microbial cell concentrations varied over an order of magnitude across 13 fog events, reaching up to 8 × 104 cells per ml of fog water. Flow cytometry consistently detected metabolically active cells, while culturing and mass spectrometry-based identification yielded eight viable bacterial species and seven fungal taxa. The bacteria Serratia marcescens, Ralstonia pickettii and Sphingomonas paucimobilis exhibited seasonal variations in prevalence. The fungal species identified were primarily mesophilic saprophytes and endophytes, commonly associated with soil and plant surfaces. Our findings indicate that fog harbors viable microbes, including Serratia marcescens and Ralstonia pickettii, which may imply a relevance of fog for microbial dispersal, colonization and nutrient cycling in the Amazon rainforest.

Godoi, Ricardo H. (ORCID:0000000247744870)↗
DOE OSTI2023

Radionuclide surrogate aerosolization, resuspension and suppression in hazardous situations

Radioactive fire following nuclear accidents causes resuspension of radioactive contamination that can spread over large areas. Although many papers focus on particle deposition and resuspension, a limited number of studies model its suppression. Even less data is available for the comparison of emissions across particle size, surface, and mode of resuspension. In this study, cerium dioxide surrogate for internal hazards such as radionuclide particle matter was aerosolized into a large chamber and subsequently resuspended after sedimentation. Resuspension was induced by common modes of human movement including walking, wind, and driving on common surfaces including polyvinyl chloride (PVC), artificial grass (turf), and concrete in a 5.8 m long, 3.7 m wide and 3 m high tent. The resuspension was experimentally measured for two particle sizes (1 and 10 μm) at three different heights (0.3 m, 1.2 m, and 2.4 m) and compared across size, surface, and mode of resuspension. Particle size distribution was measured using an aerodynamic particle sizer and the resuspended particles were collected with the wetted wall cyclone aerosol collector and quantitated using inductively coupled plasma mass spectrometry. The testing was repeated with the F-500 fire retardant application to study its effect on resuspension. In this study, artificial grass flooring was found to generate the most resuspension, with walking on turf for the 1 μm particle testing yielding the highest factor overall. Concrete had the lowest resuspension, showing variations in the size distribution of aerosol as a function of height from the source resuspension factors. The application of fire retardant was found to significantly reduce surrogate resuspension, regardless of resuspension method or testing surface. Here, the results provide impactful information regarding the different modes of resuspension including human transport (walking and driving) and wind for the resuspension of radionuclide surrogate particles deposited onto common surfaces and the effect of fire retardant application on their resuspension, leading to higher levels of safety for nuclear energy plants and facilities.

42 ENGINEERING↗
DOE OSTI2022

WHONDRS Surface Water Chemistry and Organic Matter Characterization along the St. Lawrence River's Inland to Coastal Gradient, Eastern North America (v2)

This dataset supports a broader study examining the inland (Lake Ontario) to coastal (North Atlantic Ocean) geochemistry gradient along the St. Lawrence River in Canada and the United States. The St. Lawrence River is unique in that it contains the convergence of multiple water masses with distinct water signatures that mix only slightly as the river flows downstream. The dataset provides dissolved organic carbon (DOC) and organic matter characterization data generated from surface water. Samples were collected by researchers on board the Lampsilis research vessel (l’Université du Québec à Trois-Rivières) and small boats (St. Lawrence River Institute of Environmental Sciences, Cornwall) at 94 locations across and along the St. Lawrence River to capture longitudinal and transverse variation. Related data were collected and will be published separately in collaboration with the MicrEAU Laboratory (François Guillemette; l’Université du Québec à Trois-Rivières) and the Exploration of Coastal Hydrobiogeochemistry Across a Network of Gradients and Experiments (EXCHANGE) program. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data (5) surface water sampling protocol; (6) readme; (7) methods codes; (8) international geo-sample number (IGSN) mapping file; and (9) folder of high resolution characterization of organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). The FTICR folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. The data package was originally published in November 202. It was updated in April 2025 (v2; modified files). See the change history section in the readme for details.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

DRIFT: Diffusivity Regulation of Isotopes by nanoconFinementT

Spontaneous isotope fractionation has been reported under nanoconfinement conditions in naturally occurring systems, but the origin of this phenomena is currently unknown. Two existing hypotheses have been proposed, one based on changes in the solvation environment of the isotopes that reduces the non-mass dependent hydrodynamics contribution to diffusion. The other is that isotopes have mass-dependent surface adsorption, varying their total diffusion through nanoconfined channels. To investigate these hypotheses, benchtop experiments, nuclear magnetic resonance (NMR) spectroscopy, and molecule scale modeling were applied. Classical molecular dynamics simulations identified that the Na + and Cl - hydration shells across the three different salt solutions ( 22 Na 35 Cl, 23 Na 35 Cl, 24 Na 35 Cl) did not vary as a function of the Na + isotope, but that there was a significant pore size effect, with larger hydration shells at larger pore sizes. Additionally, while total adsorption times did not vary as a function of the Na + isotope or pore size, the free ion concentration, or those adsorbed on the surface for <5% of the simulation time did exhibit isotope dependence. Experimentally, challenges occurred developing a repeatable experiment, but NMR characterization of water diffusion rates through ordered alumina membranes was able to identify the existence of two distinct water environments associated with water inside and outside the pore. Further NMR studies could be used to confirm variation in hydration shells and diffusion rates of dissolved ions in water. Ultimately, mass-dependence adsorption is a primary driver of variations in isotope diffusion rates, rather than variation in hydration shells that occur under nanoconfinement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

A stress-based fracture model for reacting metal ejecta

The evolution of reacting metal ejecta continues to be a topic of interest at the forefront of metals in reactive and extreme environments. Ejecta are small particles formed when the surface of a metal undergoes Richtmyer–Meshkov instability from a strong shock. Experiments have shown that in the case where ejecta are in ambient conditions that induce a reaction, the ejecta behave irregularly. The ejecta temperature rises and then plateaus, and the acceleration profile shows unexpected jumps. These variations are assumed to be related to the exothermic heat release and particle mass loss caused by the reaction. To explain this phenomenon, efforts to model this in simulations have increased. While current models can capture many of these physical processes, they currently assign a constant reaction shell thickness with little physical reasoning. This work remedies this problem by assigning a dynamic physically informed shell thickness to the reacting particles, using solid analysis. The shell thickness of the particles impacts the rate of change of reacted mass in the system, as well as the rate at which the particles react. The model is based on a simple stress–strain relationship and gives a dynamic assignment for when the reacting particle should begin to fracture. We compare our model to the previous computational and simulation data to analyze the effects of different model parameters.

42 ENGINEERING↗
DOE OSTI2023

A constitutive framework for rocks undergoing solid dissolution

Here, we formulate a time-dependent damage theory for rocks subjected to mechanical deformation and solid dissolution. The constitutive description is inspired by the transition state theory, which states that the rate of dissolution is a function of the reactive surface area measured through the crack density in the volume. We use a gradient-enhanced damage framework in which damage depends on the deformation of the material as well as on the amount of solid mass dissolved over time. The gradient-enhanced formulation is characterized by a three-field variational formulation with the solid displacement, nonlocal equivalent strain, and nonlocal rate of solid dissolution as the basic state variables. Traditionally, time-independent damage theories have only allowed damage to increase with increasing external load. In the proposed framework, the degree of damage may increase due to solid dissolution even when the external load is held fixed. In this way, solid dissolution is viewed as a process that is responsible for bringing about rate-dependent effects such as creep and stress-relaxation, which are two common features of geomaterial behavior.

42 ENGINEERING↗
DOE OSTI2023

Internal gravity waves in massive stars: II. Frequency analysis across stellar mass

Stars that are over 1.6 solar masses are generally known to possess convective cores and radiative envelopes, which allows for the propagation of outwardly travelling internal gravity waves (IGWs). Here, we study the generation and propagation of IGWs in such stars using two-dimensional, fully non-linear hydrodynamical simulations with realistic stellar reference states from the one-dimensional stellar evolution code, Modules for Stellar Astrophysics. Compared to previous similar works, this study utilises radius-dependent thermal diffusivity profiles for five different stellar masses at the middle of the main sequence: 3 M ⊙ , 5 M ⊙ , 7 M ⊙ , 10 M ⊙ , and 13 M ⊙ . From the simulations, we find that the surface perturbations are larger for higher masses, but no noticeable trends are observed for the frequency slopes with different stellar masses. The slopes are also similar to the results from previous works. We compared our simulation results with stellar photometric data from a recent survey and we found that for frequency intervals above 8 μHz, there is a good agreement between the temperature frequency slopes from the simulations and the surface brightness variations of these observed stars. This indicates that the brightness variations are caused by core-generated IGWs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Severe Dirac Mass Gap Suppression in Sb 2 Te 3 -Based Quantum Anomalous Hall Materials

The quantum anomalous Hall (QAH) effect appears in ferromagnetic topological insulators (FMTIs) when a Dirac mass gap opens in the spectrum of the topological surface states (SSs). Unaccountably, although the mean mass gap can exceed 28 meV (or ~320 K), the QAH effect is frequently only detectable at temperatures below 1 K. Using atomic-resolution Landau level spectroscopic imaging, we compare the electronic structure of the archetypal FMTI Cr 0.08 (Bi 0.1 Sb 0.9 ) 1.92 Te 3 to that of its nonmagnetic parent (Bi 0.1 Sb 0.9 ) 2 Te 3 , to explore the cause. In (Bi 0.1 Sb 0.9 ) 2 Te 3 , we find spatially random variations of the Dirac energy. Statistically equivalent Dirac energy variations are detected in Cr 0.08 (Bi 0.1 Sb 0.9 ) 1.92 Te 3 with concurrent but uncorrelated Dirac mass gap disorder. Additionally, these two classes of SS electronic disorder conspire to drastically suppress the minimum mass gap to below 100 μeV for nanoscale regions separated by <1 μm. This fundamentally limits the fully quantized anomalous Hall effect in Sb 2 Te 3 -based FMTI materials to very low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Cuticular wax profiling of Populus trichocarpa and P. balsamifera reveals surface similarities with underlying differences

Cuticular waxes are a mixture of hydrophobic components protecting plant tissues from the environment. Populus trichocarpa and P. balsamifera are closely-related tree species with broad North American distribution; however, variation in their cuticular wax composition across their range remained poorly understood. To address this gap, stem and leaf waxes from both species across three developmental stages were profiled by gas chromatography-mass spectrometry. A core set of compounds shared across tissues, accessions, and developmental stages was detected, as well as tissue- or species-specific constituents such as phenolics and alkenes. Phenolic-derived compounds were more prevalent at early stages of development compared to the predominantly aliphatic composition of mature tissues. Moreover, early stage leaves also showed enhanced protection from desiccation and oxidative stress in a subset of accessions. Alkenes, found exclusively in leaves, segregated the poplar accessions into alkene-producing and alkene-lacking phenotypes. GWAS analysis of 174 P. trichocarpa accessions identified a region on chromosome 10 containing a tandem cluster of ketoacyl CoA synthases associated with alkene accumulation in P. trichocarpa , which was not significantly associated in 133 P. balsamifera individuals examined. These findings reveal dynamic, developmentally regulated, and species-specific variation in poplar wax profiles. Understanding these chemical traits offers new opportunities to develop Populus varieties with enhanced environmental resilience and adaptive potential.

GWAS↗
DOE OSTI2022

Monitoring Carbon Storage Sites with Time-Lapse Gravity Surveys

Monitoring technologies are deployed on carbon storage sites to demonstrate that the injected CO2 is contained within the storage complex during and long after the active life of the project and that the CO2 behavior is conforming to expectations. Detection of gravity variations accompanying mass redistributions in the subsurface caused by fluid movements in reservoirs provides a unique means for monitoring the dynamics of a carbon sequestration site. Time-lapse gravity surveys have a long history of effectively monitoring temporal density changes in the subsurface. However, monitoring of carbon storage sites with time-lapse gravity surveys using surface or borehole measurements remains limited, although it gained more attention during the last decade. With the recent progresses in instrument capabilities, and the increased number of fluid storage sites (e.g., wastewater, CO2, natural gas, etc.), the gravity method (with its unique ability to remotely estimate both the mass of an injected fluid and its location) has a promising future in monitoring. This chapter provides background information regarding the gravity method and discusses its modeling and application to various carbon storage sites.

Carbon Sequestration, time-lapse gravity, monitori↗
DOE OSTI2026

OC7 phase I: CFD investigation of viscous forces on rectangular members of semisubmersibles

In Phase I of the Offshore Code Comparison Collaboration 7 (OC7) project, we aim to address key questions related to the modeling of viscous hydrodynamic loads on floating platforms. Here, this paper presents results from a collaborative effort within Phase I of the OC7 project. We investigate viscous forces acting on the rectangular members of semisubmersible platforms using high-fidelity computational fluid dynamics (CFD) simulations. The parametric CFD analyses include two-and-a-half-dimensional (2.5D) simulations of pontoon sections of two different semisubmersible platform designs (the VolturnUS-S and the INO WINDMOOR) and full three-dimensional (3D) structure simulations of the VolturnUS-S platform. We extract both the added mass and drag coefficients that are typically used in engineering-level hydrodynamic models from the 2.5D forced oscillation simulations with various Keulegan-Carpenter numbers and compare them to the coefficients from the 3D forced oscillation simulations. We observe consistent variation of the coefficients along the pontoon legs due to 3D platform and free-surface effects. With the breadth of the simulations and component-level detailed analyses, this work establishes a useful database and several empirical formulas for selecting hydrodynamic coefficients when modeling semisubmersible platforms in engineering tools.

13 HYDRO ENERGY↗
DOE OSTI2021

Nuclear charge densities in spherical and deformed nuclei: Toward precise calculations of charge radii

Precise measurements of atomic transitions affected by electron-nucleus hyperfine interactions offer sensitivity to explore basic properties of the atomic nucleus and study fundamental symmetries, including the search for new physics beyond the standard model of particle physics. Specifically, such measurements, augmented by atomic and nuclear calculations, will enable extraction of the higher-order radial moments of the charge-density distribution in spherical and deformed nuclei. The new data impose higher precision requirements on a theoretical description. The nuclear charge density is composed of the proton point distribution folded with the nucleonic charge distributions. The latter induce subtle relativistic corrections due to the coupling of nucleon magnetic moments with the nuclear spin-orbit density. Additional corrections come from the effect of center-of-mass projection. We assess the precision of nuclear charge density calculations by studying the behavior of relativistic and center-of-mass motion corrections to the second and fourth charge radial moments. Special attention has been paid to the magnetic spin-orbit density associated with the local variations of the spin-orbit current. The calculations for semimagic and open-shell nuclei are performed in the framework of self-consistent mean-field theory using quantified energy density functionals and density-dependent pairing forces. We used the general expression for the spin-orbit form factor that is valid for spherical and deformed nuclei. We studied the impact of various correction terms on the charge radii, fourth radial moments, diffraction radii, and surface thickness of spherical and deformed nuclei. The spin-orbit corrections to charge radial moments and surface thickness show strong shell fluctuations which can make an appreciable effect when aiming at high-precision predictions of isotopic shifts. The inclusion of relativistic and center-of-mass corrections impacts the quality of energy density functionals optimized to charge radii data. To establish reliable constraints on the existence of new forces from isotope shift measurements, precise calculations of nuclear charge densities of deformed nuclei are needed. The proper inclusion of the spin-orbit charge density and other correction terms is essential when aiming at extraction of subtle effects which become particularly visible in isotopic trends. It is also important when developing high-quality nuclear energy density functionals optimized using heterogeneous datasets involving absolute charge radii, differential charge radii, and charge form factor properties deduced from electron-scattering data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Searching for Exotic Signals with the NOvA Experiment

Two highly segmented NOvA scintillation detectors, separated by 810 km and located in the pathof the NuMI neutrino beam produced at Fermilab, are optimized to study the neutrino oscillationphenomenon. At the same time, the larger Far Detector with 4,000 m2 surface area is capable to search for the low-mass magnetic monopoles, and to monitor the flux of the high-multiplicitycosmic ray showers. The smaller Near Detector, located 100 m underground at Fermilab, is ableto search for the presence of possible elusive Dark Matter particles in the high-intensity NuMIneutrino beam, and to study the seasonal variations of multi-muon cosmic flux component. BothNOvA detectors serve in combination as a powerful supernova neutrino detector, and allow forthe multi-messenger signal searches in coincidence with LIGO/Virgo gravitational wave events.A survey of the most recent NOvA results on these topics is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Ultrasensitive Photothermal Spectroscopy: Harnessing the Seebeck Effect for Attogram-Level Detection

Molecular-level spectroscopy is crucial for sensing and imaging applications, yet detecting and quantifying minuscule quantities of chemicals remain a challenge, especially when they surface adsorb in low numbers. Here, we introduce a photothermal spectroscopic technique that enables the high selectivity sensing of adsorbates with an attogram detection limit. Our approach utilizes the Seebeck effect in a microfabricated nanoscale thermocouple junction, incorporated into the apex of a microcantilever. We observe minimal thermal mass exhibited by the sensor, which maintains exceptional thermal insulation. The temperature variation driving the thermoelectric junction arises from the nonradiative decay of molecular adsorbates’ vibrational states on the tip. We demonstrate the detection of photothermal spectra of physisorbed trinitrotoluene (TNT) and dimethyl methylphosphonate (DMMP) molecules, as well as representative polymers, with an estimated mass of 10 -18 g.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Industrial deposition of wavelength-shifting films for liquid argon photon detection systems

The Deep Underground Neutrino Experiment (DUNE) Phase-II Far Detector is considering an approximately 2000 m 2 photon detection system to achieve a target mean light yield of 180 PE/MeV. Meeting this requirement demands scalable, cost-effective, and high-quality wavelength-shifter (WLS) coatings capable of converting 127 nm liquid-argon scintillation light into visible photons with controlled and reproducible optical performance. We report on the successful realization of an industrial physical vapor deposition (PVD) process forp-terphenyl (pTP) coatings, adapted from vacuum deposition techniques developed for OLED display manufacturing, to produce uniform WLS layers on large-area inorganic substrates, a task traditionally challenged by adhesion and uniformity issues at organic-inorganic interfaces. Surface characterization by profilometry and spectroscopic measurements demonstrates edge-region thickness variation below 10% and emission spectra consistent with high-quality pTP reference samples. The industrial process demonstrates reproducibility, scalability, and significantly reduced production time compared to laboratory-based methods, while maintaining optical characteristics consistent with established pTP reference samples. These results establish a viable pathway for mass production of high-performance pTP coatings for DUNE FD3 and future neutrino experiments, from a coating manufacturing and process standpoint. Detector-level performance validation, including quantitative VUV conversion efficiency measurements at 127 nm, is identified as future work.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Plutonium Co-precipitation with Calcite

The mobility of plutonium (Pu) in the environment is affected by Pu–mineral interactions, such as adsorption–desorption and structural incorporation. Calcite (CaCO 3 ) is a common secondary phase in near surface environments and a major component of many rocks and soils and is expected to form as an alteration product of cement-based materials planned for use in geological repositories. The reactivity of the calcite surface and its ability to tolerate significant variations in its chemical composition through substitution of Ca for other cations make calcite a potentially important sink for environmental contaminants. Here, single crystals of calcite were synthesized from aqueous solutions in equilibrium with air containing Pu as either Pu(VI) or Pu(IV) and characterized using a combination of laser ablation inductively coupled plasma mass spectrometry (LA–ICP–MS) and X-ray absorption spectroscopy (XAS). These data are used to assess the amount, structure, and oxidation state of Pu co-precipitated into calcite, providing insight into the potential for Pu sequestration in calcite precipitates. Overall, the XAS and LA–ICP–MS data support the co-precipitation of plutonyl [Pu(VI/V)] in the bulk calcite, although the exact nature of the co-precipitated Pu complex is difficult to elucidate in the synthesized material. Co-precipitated plutonyl could be incorporated in either distorted Ca lattice sites or defect sites, and we provide evidence to suggest that Pu(VI) is reduced mainly to Pu(V) in the precipitated solid. LA–ICP–MS additionally shows that the co-precipitation of Pu(VI/V) is favored over the co-precipitation of Pu(IV). Altogether, our results suggest that Pu sequestration in calcite under environmental conditions could immobilize Pu and isolate it from groundwater interactions in contaminated environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗