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NASA NTRS2023

Data-constrained Solar Modeling with GX Simulator

To facilitate the study of solarflares and active regions, we have created a modeling framework, the freelydistributed GX Simulator IDL package, that combines 3D magnetic and plasma structures with thermal andnonthermal models of the chromosphere, transition region, and corona. Its object-based modular architecture,which runs on Windows, Mac, and Unix/Linux platforms, offers the ability to either import 3D density andtemperature distribution models, or to assign numerically defined coronal or chromospheric temperatures anddensities, or their distributions, to each individual voxel. GX Simulator can apply parametric heating modelsinvolving average properties of the magneticfield lines crossing a given voxel, as well as compute and investigatethe spatial and spectral properties of radio,(sub)millimeter, EUV, and X-ray emissions calculated from the model,and quantitatively compare them with observations. The package includes a fully automatic model productionpipeline that, based on minimal users input, downloads the required SDO/HMI vector magneticfield data,performs potential or nonlinear force-freefield extrapolations, populates the magneticfield skeleton withparameterized heated plasma coronal models that assume either steady-state or impulsive plasma heating, andgenerates non-LTE density and temperature distribution models of the chromosphere that are constrained byphotospheric measurements. The standardized models produced by this pipeline may be further customizedthrough specialized IDL scripts, or a set of interactive tools provided by the graphical user interface. Here, wedescribe the GX Simulator framework and its applications.

Solar active regions↗

DOE OSTI2024

First experimental confirmation of island SOL geometry effects in a high radiation regime on W7-X

Abstract This work characterizes the detachment behavior and radiation characteristics of the lowiota configuration in the Wendelstein 7-X (W7-X) stellarator. The island scrape-off layer (SOL) of thelow iota has a poloidal mode number of 6 islands surrounding the last closed flux surface (LCFS).The island geometry of the low iota configuration is significantly different to that of the standardmagnetic field configuration, whose detachment characteristics have already been described in previouswork[2, 3, 4]. Experimental results show that the radiation pattern in the low iota configurationis starkly different to that of the standard magnetic field configuration, with radiation concentratedat the island SOL O-points, rather than the X-points. Additionally, this O-point localized radiationpattern is associated with unstable detachment, with both radiation oscillations in experiments and thelack of a self-consistent plasma solution at high radiated power fraction in EMC3-Eirene simulations.EMC3-Eirene simulations are used to understand the radiation distribution. It was found that the O-point localized radiation arises first from local impurity accumulation near the parallel flow stagnation,which is located close to the geometrical center of the island (”O-point”). The local cooling in thisregion leads to plasma condensation in the islands in closest magnetic connection to the divertor targetplates. The heat source to this region of the island, which is thermally isolated from the upstream heatsource in terms of parallel transport, must arise via perpendicular heat transport. This heat source isexpected to be large for the low iota configuration due to its very small internal island field line pitch.This work highlights the importance (complementary to previous work, e. g. [5, 6]) of the internalisland field line pitch not only on the radiation pattern, but also the detachment performance of theisland divertor.

Winters, Victoria (ORCID:0000000181087774)↗

DOE OSTI2024

Towards modelling AR Sco: generalized particle dynamics and strong radiation-reaction regimes

Numerical simulations of relativistic plasmas have become more feasible, popular, and crucial for various astrophysical sources with the availability of computational resources. The necessity for high-accuracy particle dynamics is especially highlighted in pulsar modelling due to the extreme associated electromagnetic fields and particle Lorentz factors. Including the radiation-reaction force in the particle dynamics adds even more complexity to the problem, but is crucial for such extreme astrophysical sources. We have also realized the need for such modelling concerning magnetic mirroring and particle injection models proposed for AR Sco, the first white dwarf pulsar. This paper demonstrates the benefits of using higher-order explicit numerical integrators with adaptive time-step methods to solve the full particle dynamics with radiation-reaction forces included. We show that for standard test scenarios, namely various combinations of uniform E- and B-fields and a static dipole B-field, the schemes we use are equivalent to and in extreme field cases outperform standard symplectic integrators in accuracy. We show that the higher-order schemes have massive computational time improvements due to the adaptive time-steps we implement, especially in non-uniform field scenarios and included radiation reaction where the particle gyro-radius rapidly changes. When balancing accuracy and computational time, we identified the adaptive Dormand–Prince eighth-order scheme to be ideal for our use cases. The schemes we use maintain accuracy and stability in describing the particle dynamics and we indicate how a charged particle enters radiation-reaction equilibrium and conforms to the analytical Aristotelian Electrodynamics expectations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Numerical heating in particle-in-cell simulations with Monte Carlo binary collisions

The binary Monte Carlo (MC) collision algorithm is a standard and robust method to include binary Coulomb collision effects in particle-in-cell (PIC) simulations of plasmas. Here we show that the coupling between PIC and MC algorithms can give rise to (nonphysical) numerical heating of the system that significantly exceeds that observed when these algorithms operate independently. We argue that this deleterious effect results from an inconsistency between the particle motion associated with MC collisions and the work performed by the collective electromagnetic field on the PIC grid. This inconsistency manifests as the (artificial) stochastic production of electromagnetic energy, which ultimately heats the plasma particles. Here, the MC-induced numerical heating can significantly impact the evolution of the simulated system for long simulation times (≳10 3 collision periods, for typical numerical parameters). We describe the source of the MC-induced numerical heating analytically and discuss strategies to minimize it.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Modeling of ExB effects on tungsten re-deposition and transport in the DIII-D divertor

Mixed-material DIVIMP-WallDYN modelling, now incorporating ExB drifts, is presented that simultaneously reproduces tungsten (W) erosion and deposition patterns observed during the DIII-D Metal Rings Campaign, in which a toroidally symmetric set of W-coated tiles were installed in the carbon (C) DIII-D divertor. Since most reactor plasma facing component (PFC) designs call for mixed-material environments, including ITER’s W/Be enviroment, the divertor targets will quickly evolve into reconstitued surfaces of multiple elements. This work identifies controlling physics that affects material migration patterns in the divertor, which impact PFC lifetimes and impurity leakage from the divertor to the core. These simulations indicate that radial and poloidal ExB transport dominates over parallel force balance for high-Z impurities such as W in the divertor region of DIII-D. It is demonstrated that ExB drifts are required to reproduce the experimental observation of non-local W and C co-accumulation in a band ~7-9 cm outboard of the outer-strike-point (OSP) W source, for attached Lmode conditions in the unfavorable ion grad-B drift direction. In addition, W gross erosion is localized to the region outboard of the OSP, as the formation of C co-deposits suppresses W erosion at the strike point. Time-dependent simulations with scaled ExB impurity drifts (60% of the OEDGE-calculated drift velocity) and W re-erosion quantitatively reproduce these features, including depth-resolved W/C ratios, within a factor of 2 over ~115 seconds of accumulated plasma exposure. The location of co-deposition regions is shown to be well represented by an analytic leakage model, driven largely by poloidal ExB drifts. Qualitative agreement is also found between campaign-integrated W deposition measurements and simulations for the favorable ion grad-B drift direction, the standard mode of operation for most tokamaks. Furthermore, these results imply that a longterm inward radial migration of material from the outer divertor through the private flux region may occur in future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Detailed diffraction imaging of x-ray optics crystals with synchrotron radiation

Rocking curve topography at the Advanced Photon Source’s beamline 1-BM measures the x-ray reflection from large (many cm 2 ) flat crystals on a sub-mm scale with microradian angular resolution. The $(01\bar{1}1)$ reflection at 8 keV is uniform across the crystal and close to theory for three thick quartz wafers well-polished with increasingly finer grit. However, the reflection is non-uniform for some ~ 0.1mmthin, bendable crystals that are made flat by optical contact with a flat substrate. Here, these thin crystals are bent to serve in certain x-ray diagnostics of plasmas, and similar non-uniformities could then occur in bent crystals as well. The same detail in x-ray reflection in bent crystals is unachievable with the existing topography setup: one way to get the desired resolution is with a standard microfocusing approach.

47 OTHER INSTRUMENTATION↗

NASA NTRS2013

Project Profile: Hydrogen Fuel Cell Mobile Lighting Tower (HFCML)

NASA is committed to finding innovative solutions that improve the operational performance of ground support equipment while providing environment and cost benefits, as well. Through the Hydrogen Fuel Cell Mobile Lighting Tower (HFCML) project, NASA gained operational exposure to a novel application of high efficiency technologies. Traditionally, outdoor lighting and auxiliary power at security gates, launch viewing sites, fallback areas, outage support, and special events is provided by diesel generators with metal halide lights. Diesel generators inherently contribute to C02, NOx, particulate emissions, and are very noisy. In 2010, engineers from NASA's Technology Evaluation for Environmental Risk Mitigation Principal Center (TEERM) introduced KSC operations to a novel technology for outdoor lighting needs. Developed by a team led by Sandia National Laboratory (SNL), the technology pairs a 5kW hydrogen fuel cell with robust high efficiency plasma lights in a towable trailer. Increased efficiency, in both the fuel cell power source and lighting load, yields longer run times between fueling operations while providing greater auxiliary power. Because of the unit's quiet operation and no exhaust fumes, it is capable of being used indoors and in emergency situations, and meets the needs of all other operational roles for metal halide/diesel generators. The only discharge is some water and warm air. Environmental benefits include elimination of diesel particulate emissions and estimated 73% greenhouse gas emissions savings when the hydrogen source is natural gas (per GREET model). As the technology matures the costs could become competitive for the fuel cell units which are approximately 5 times diesel units. Initial operational . concerns included the hydrogen storage tanks and valves, lightning safety/grounding, and required operating and refueling procedures. TEERM facilitated technical information exchange (design drawings, technical standards, and operations manuals) necessary for KSC hydrogen system experts to approve use of the HFCML unit, including initiating the environmental checklist (i.e. exterior lighting waiver due to sea turtles), and development of operations and maintenance instructions. TEERM worked with SNL to establish a bailment agreement for KSC to utilize a Beta unit as part of normal Center Operations for a period of twelve months.

McLaughlin, Russell↗

NASA NTRS2003

High-Time-Resolution Study of Magnetic Holes in the Solar Wind

The objectives of this investigation are to determine the internal plasma structure of kinetic-scale and larger scale magnetic holes, and to determine their stability, their source mechanism(s), and their spatial extent. It is also of importance to determine the relationship between kinetic-scale holes and long-duration holes. As smaller and smaller magnetic depressions are investigated in order to make this a complete study, a robust criterion is necessary for distinguishing magnetic holes from random or unresolvable fluctuations in the interplanetary magnetic field. In order to resolve this ambiguity, we obtained from the MFI experiments magnetic field measurements from the WIND spacecraft at a time resolution of 46 to 184 ms over certain periods. We have also devised a measure of certainty for magnetic hole detections. The certainty factor, q, is defined as the difference between the mean magnetic field in the hole and the local magnetic field, in units of the local standard deviation of the field strength. For fullest generality, it is necessary to calculate this q over the range of available scales of interest, from 60 ms up to 300 s. This technique establishes a two dimensional matrix of relative probabilities that a hole of some duration (d) might exist in the data set at a given time (t). In identifying q-peaks in time and duration, we also come upon a natural method for distinguishing holes with internal structure from multiple holes in close proximity or holes nested inside of others. If two q-peaks are more than a half-width apart, they are simply said to be separate events.

Lazarus, Alan↗

DOE OSTI2024

Long-baseline quantum sensor network as dark matter haloscope

Ultralight dark photons constitute a well-motivated candidate for dark matter. A coherent electromagnetic wave is expected to be induced by dark photons when coupled with Standard-Model photons through kinetic mixing mechanism, and should be spatially correlated within the de Broglie wavelength of dark photons. Here we report the first search for correlated dark-photon signals using a long-baseline network of 15 atomic magnetometers, which are situated in two separated meter-scale shield rooms with a distance of about 1700 km. Both the network’s multiple sensors and the shields large size significantly enhance the expected dark-photon electromagnetic signals, and long-baseline measurements confidently reduce many local noise sources. Using this network, we constrain the kinetic mixing coefficient of dark photon dark matter over the mass range 4.1 feV-2.1 peV, which represents the most stringent constraints derived from any terrestrial experiments operating over the aforementioned mass range. Our prospect indicates that future data releases may go beyond the astrophysical constraints from the cosmic microwave background and the plasma heating.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Neoclassical transport and profile prediction in transport barriers

Strong gradient regions in tokamaks, such as the pedestal or internal transport barriers, are regions of reduced turbulence where neoclassical transport can play a dominant role. However, standard neoclassical transport theory assumes that the gradient length scales of density, temperature, and potential are of the order of the system size. In the pedestal, gradient length scales are much shorter and are measured to be of the order of the ion poloidal gyroradius. We present an extension of neoclassical theory that is applicable in transport barriers of large aspect ratio tokamaks. We show that particle and momentum transport are connected in such a way that a source of parallel momentum can drive a significant neoclassical ion particle flux. In strong gradient regions, density, electric potential, mean parallel flow, and ion temperature are shown to no longer be flux functions. Instead, they have a small but important poloidally varying piece that modifies the transport equations to lowest order. This introduces a nonlinearity in the transport problem through the coupling with quasineutrality that yields multiple co-existing solutions when solving for the plasma profiles. The different solutions could be connected to low and high transport states and jumps between solutions could provide a new neoclassical explanation for H-L back-transitions.

Trinczek, Silvia [Princeton Plasma Physics Laborat↗

NASA NTRS2000

Inception of Snapover and Gas Induced Glow Discharges

Ground based experiments of the snapover phenomenon were conducted in the large vertical simulation chamber at the Glenn Research Center (GRC) Plasma Interaction Facility (PIF). Two Penning sources provided both argon and xenon plasmas for the experiments. The sources were used to simulate a variety of ionospheric densities pertaining to a spacecraft in a Low Earth Orbital (LEO) environment. Secondary electron emission is believed responsible for dielectric surface charging, and all subsequent snapover phenomena observed. Voltage sweeps of conductor potentials versus collected current were recorded in order to examine the specific charging history of each sample. The average time constant for sample charging was estimated between 25 and 50 seconds for all samples. It appears that current drops off by approximately a factor of 3 over the charging time of the sample. All samples charged in the forward and reverse bias directions, demonstrated hysteresis. Current jumps were only observed in the forward or positive swept voltage direction. There is large dispersion in tile critical snapover potential when repeating sweeps on any one sample. The current ratio for the first snapover region jumps between 2 and 4.6 times, with a standard deviation less than 1.6. Two of the samples showed even larger current ratios. It is believed the second large snapover region is due to sample outgassing. Under certain preset conditions, namely at the higher neutral gas background pressures, a perceptible blue-green glow was observed around the conductor. The glow is believed to be a result of secondary electrons undergoing collisions with an expelled tenuous cloud of gas, that is outgassed from the sample. Spectroscopic measurements of the glow discharge were made in an attempt to identify specific lines contributing to the observed glow.

Galofaro, J. T.↗

DOE OSTI2023

Speciation of Transition Metal Dissolution in Electrolyte from Common Cathode Materials

Abstract Significant capacity loss has been observed across extended cycling of lithium‐ion batteries cycled to high potential. One of the sources of capacity fade is transition metal dissolution from the cathode active material, ion migration through the electrolyte, and deposition on the solid‐electrolyte interphase on the anode. While much research has been conducted on the oxidation state of the transition metal in the cathode active material or deposited on the anode, there have been limited investigations of the oxidation state of the transition metal ions dissolved in the electrolyte. In this work, X‐ray absorption spectroscopy has been performed on electrolytes extracted from cells built with four different cathode active materials (LiMn 2 O 4 (LMO), LiNi 0.5 Mn 1.5 O 4 (LNMO), LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811), and (x Li 2 MnO 3 *(1‐x) LiNi a Mn b Co c O 2 , with a+b+ c =1) (LMRNMC)) that were cycled at either high or standard potentials to determine the oxidation state of Mn and Ni in solution. Inductively coupled plasma‐mass spectrometry has been performed on the anodes from these cells to determine the concentration of deposited transition metal ions. While transition metal ions were found dissolved in all electrolytes, the oxidation state(s) of Mn and Ni were determined to be dependent on the cathode material and independent of cycling potential.

Rynearson, Leah↗

NASA NTRS2014

High-Energy Pulsar Models: Developments and New Questions

The past few years have seen a major advance in observational knowledge of high-energy (HE) pulsars. The Fermi Large Area Telescope (LAT) and AGILE have increased the number of known gamma-ray pulsars by an order of magnitude, its members being divided roughly equally among millisecond pulsars (MSPs), young radio-loud pulsars, and young radio-quiet pulsars. Many new and diverse emission characteristics are being measured, while radio and X-ray follow-up observations increase the pulsar detection rate and enrich our multiwavelength picture of these extreme sources. The wealth of new data has provided impetus for further development and improvement of existing theoretical pulsar models. Geometric light curve (LC) modelling has uncovered three broad classes into which HE pulsars fall: those where the radio profile leads, is aligned with, or lags the gamma-ray profile. For example, the original MSP and original black widow system are members of the second class, requiring co-located emission regions and thereby breaking with traditional notions of radio emission origin. These models imply narrow accelerator gaps in the outer magnetosphere, indicating copious pair production even in MSP magnetospheres that were previously thought to be pair-starved. The increased quality and variety of the LCs necessitate construction of ever more sophisticated models. We will review progress in global magnetosphere solutions which specify a finite conductivity on field lines above the stellar surface, filling the gap between the standard vacuum and force-free (FF; plasma-filled) models. The possibility of deriving phase-resolved spectra for the brightest pulsars, coupled with the fact that the HE pulsar population is sizable enough to allow sampling of various pulsar geometries, will enable much more stringent testing of future radiation models. Reproduction of the observed phase-resolved behavior of this disparate group will be one of the next frontiers in pulsar science, impacting on our understanding of particle acceleration, emission, and magnetosphere geometry. One may now also study evolutionary trends of the measured or inferred quantities, and probe pulsar visibility and population properties such as radiation beam sizes of different pulsar classes, as well as the distribution of spin-down power, gamma-ray luminosity, conversion efficiency, spectral index, and cutoff energy across the population. Lastly, the recent detection of very-high-energy (VHE) pulsations from the Crab pulsar generated quite a few ideas to explain this emission, leading to an extension of standard models and possibly even a bridge between the physics of pulsars and pulsar wind nebulae (PWNe).

gamma rays:↗

NASA NTRS1991

Plasma wave generation near the inner heliospheric shock

There is mounting evidence that the Voyager 1 and 2 and Pioneer 11 spacecraft may approach the inner (termination) heliospheric shock near the end of this century. It is argued here, by analogy with planetary bow shocks, that energetic electrons backstreaming from the heliospheric shock along the magnetic field should be unstable to the generation of Langmuir waves by the electron beam instability. Analytic expressions for the cutoff velocity, corresponding to the beam speed of the electrons backstreaming from the shock, are derived for a standard solar wind model. At the front side of the heliosphere the maximum beam velocity is expected to be at the meridian passing through the nose of the shock, which is assumed to be aligned with the Very Local Inter-Stellar Medium flow. This foreshock region and the associated Langmuir waves are relevant to both the expected in situ observations of the heliospheric boundaries, and to the low-frequency (2-3 kHz) radio emissions observed by the Voyager spacecraft in the outer heliosphere. Provided that these radio emissions are generated by Langmuir waves, the minimum Langmuir wave electric fields at the remote source are estimated to be greater than about 3 - 30 microV/m.

Macek, W. M.↗

DOE OSTI2025

Improved laser-plasma accelerator stability via high-bandwidth longitudinal focal position stabilization of a 100 TW-class laser system

Laser-plasma accelerators (LPAs) offer an attractive alternative to conventional accelerators for the development of compact electron sources and next-generation light sources. Due to orders-of-magnitude larger accelerating gradients, LPAs enable the acceleration of high-brightness electron beams to ultrarelativistic energies in millimeter- to centimeter-scale distances. However, LPA stability is limited by shot-to-shot fluctuations of the driving laser system. Specifically, fluctuations in the final-focus longitudinal position result in correlated instability in LPA electron beam qualities, including total beam charge, average beam energy, and energy spread. We demonstrate active stabilization of the longitudinal focal position for a 100 TW-class laser system. This repetition-rate scalable stabilization system leverages noninvasive wave front monitoring of a copropagating, unamplified kHz pulse train to guide corrective adjustments to the focal position of a 1 Hz amplified drive laser via an upstream telescope on millisecond timescales. In this demonstration, the approach limits standard deviation fluctuations of the amplified drive beam’s longitudinal focal position to ±0.22⁢ mm (representing at least a 53% reduction), achieved with a correction bandwidth that reaches the Nyquist frequency limit. Consequently, we observe marked improvements in both long-term and shot-to-shot LPA stability in terms of charge and spectrum.

Beam control↗

DOE OSTI2023

Speciation of Transition Metal Dissolution in Electrolyte from Common Cathode Materials

Significant capacity loss has been observed across extended cycling of lithium-ion batteries cycled to high potential. One of the sources of capacity fade is transition metal dissolution from the cathode active material, ion migration through the electrolyte, and deposition on the solid-electrolyte interphase on the anode. While much research has been conducted on the oxidation state of the transition metal in the cathode active material or deposited on the anode, there have been limited investigations of the oxidation state of the transition metal ions dissolved in the electrolyte. Here, in this work, X-ray absorption spectroscopy has been performed on electrolytes extracted from cells built with four different cathode active materials (LiMn 2 O 4 (LMO), LiNi 0.5 Mn 1.5 O 4 (LNMO), LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811), and (x Li 2 MnO 3 *(1-x) LiNi a Mn b Co c O 2 , with a+b+c=1) (LMRNMC)) that were cycled at either high or standard potentials to determine the oxidation state of Mn and Ni in solution. Inductively coupled plasma-mass spectrometry has been performed on the anodes from these cells to determine the concentration of deposited transition metal ions. While transition metal ions were found dissolved in all electrolytes, the oxidation state(s) of Mn and Ni were determined to be dependent on the cathode material and independent of cycling potential.

25 ENERGY STORAGE↗

NASA NTRS2005

Characterization of an 8-cm Diameter Ion Source System

Results of tests characterizing an 8-cm diameter ion source are presented. The tests were conducted in three separate vacuum test facilities at the University of Alabama-Huntsville, Colorado State University, and L3 Communications' ETI division. Standard ion optics tests describing electron backstreaming and total-voltage-limited impingement current behavior as a function of beam current were used as guidelines for selecting operating conditions where more detailed ion beam measurements were performed. The ion beam was profiled using an in-vacuum actuating probe system to determine the total ion current density and the ion charge state distribution variation across the face of the ion source. Both current density and ExB probes were utilized. The ion current density data were used to obtain integrated beam current, beam flatness parameters, and general beam profile shapes. The ExB probe data were used to determine the ratio of doubly to singly charged ion current. The ion beam profile tests were performed at over six different operating points that spanned the expected operating range of the DAWN thrusters being developed at L3. The characterization tests described herein reveal that the 8-cm ion source is suitable for use in (a) validating plasma diagnostic equipment, (b) xenon ion sputtering and etching studies of spacecraft materials, (c) plasma physics research, and (d) the study of ion thruster optics at varying conditions.

Li, Zhongmin↗

DOE OSTI2025

LABQ3: Bayesian method for quantification of mineral compositions and nano-scale elemental mapping of 3D synchrotron XCT data

Quantitative analysis of mineral compositions is essential in understanding geochemical, mineralogical and environmental processes. Fine-resolution 3D imaging is widely done using synchrotron X-ray computed tomography (XCT), but existing analyses are limited to visualization and segmentation. This paper presents a new method, Linear Attenuation Bayesian Quantitative 3D-mapper (LABQ3), based on the linearity of X-ray attenuation with respect to elemental concentrations. To address the random variability in attenuation measurements, LABQ3 employs Bayesian decision theory to minimize classification error, using reference attenuation distributions from scans of pure mineral standards. To demonstrate LABQ3 and test its performance, we studied precipitated carbonate samples. XCT scans were done at multiple energies using the transmission X-ray microscope (TXM) at beamline 32-ID-C of the Advanced Photon Source at Argonne National Laboratory. The reconstructed 3D images have a voxel size of 20 nm. Analyses revealed rich nano-scale compositional heterogeneity within individual particles. A mixture of calcium and cadmium produced an overall stoichiometric composition of (Ca 0.78 ,Cd 0.22 )CO 3 , with some voxels containing nearly pure CdCO 3 . The addition of zinc led to an overall stoichiometric composition of 33% Ca, 28% Cd, 39% Zn, with a nearly pure CaCO 3 core and compositional zonation through the rim. These compositional gradients are related to temporal sequences of carbonate mineral formation where Cd precipitated at the beginning in (Ca,Cd)CO 3 , while Cd and Zn precipitated at the end in (Ca, Cd,Zn)CO 3 . Results differ from bulk analyses using Inductively Coupled Plasma-Mass Spectrometry (ICP-MS), showing that LABQ3 provides particle-specific insights. LABQ3 distinguishes itself by quantifying chemical compositions along a continuum, making it different from XCT analyses based on segmentation. LABQ3 allows simultaneous acquisition of morphology and chemical composition in 3D, facilitating the interpretation of chemical gradients of trace elements, quantification of solid solution compositions, inferences about temporal sequences of mineral precipitation, and addressing other concerns about solid-phase chemistry.

58 GEOSCIENCES↗