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DOE OSTI2025

Diagnostics: Chapter 8 of the special issue: on the path to tokamak burning plasma operation

This chapter presents the activity conducted by the ITPA topical group (TG) on Diagnostics over about the last 15 years. Following a general introduction of the ITER Diagnostics led by their measurement roles, the document is organized in several subchapters detailing the design support, research and development activity conducted by each of the specialist working groups (WGs) of the TG. Please note that the magnetic diagnostics were supported at the TG without a specific WG. Their status is included in the general introduction. In the following some highlights of the subchapter’s contents are provided. Recent advances in ITER first wall (FW) diagnostics for the measurements of plasma-metallic wall interaction in support of the ITER research plan are reported. An InfraRed imaging Video Bolometer for ITER has been developed and tested on several tokamaks to measure the radiated power loss. A laser-induced breakdown spectroscopy (LIBS) technique which utilizes a pulsed laser beam to ablate locally by forming a crater, will measure local tritium inventory in the FW material. Real-time Residual Gas Analyzers will measure the neutral gas composition in a divertor port and an equatorial port during plasma operation. Due to the full metallic FW environment, the plasma-wall interaction in ITER will face several challenges such as the compromised radiated power and divertor heat flux measurements by reflection. Ray tracing and analysis codes have been developed to eliminate and correct the effects of reflection in the measurements. The characteristics of the reflecting surfaces depending on the roughness and angle of the incidence have been measured by dedicated experiments, and the results were applied to the reflection elimination. For the measurement of the metallic impurity radiation induced by eroded metallic atoms, a vacuum ultraviolet spectrometer has been developed and tested. An extensive thermonuclear diagnostic suite will be required to support the operation of ITER and the planned experimental program for future burning plasma experiments. Due to the harsh environmental conditions, the implementation of diagnostic systems in ITER is a major challenge. These conditions include high levels of neutron and gamma fluxes, neutron heating, particle bombardment. Therefore, the selection and design of diagnostic systems must take into account a number of phenomena previously unseen in diagnostic design. For this reason, the measurement of neutrons and confined or lost fast ions, with particular emphasis on alpha particles, is critical to ITER. The diagnostics associated with these measurements will be important for future plasma-burning experiments at ITER. The high neutron emission and very large plasma size in ITER make neutron diagnostics the main diagnostic method used to measure plasma parameters such as fusion power, fusion power density, ion temperature, energy of fast ions and their spatial distributions in the plasma core. Active spectroscopy techniques are methods where a neutral particle beam is injected into the plasma and information on plasma parameters is extracted from the measurement of line emission resulting from the beam-plasma interaction, either by plasma ions or by beam atoms. Spatial localization is achieved by crossing the beamline and multiple observation lines. The ITER plasma will be a high temperature, moderately dense, fully ionized collisional plasma. The plasma facing surfaces are principally metallic being fashioned from beryllium or tungsten but many other elements, arising from either structural or from operational needs, may enter this plasma. The energy range of the emitted photons range from meV (infra-red) to multi keV (x-rays) and originate from all areas of the plasma volume. The primary role of passive emission diagnostics is to identify what is in the plasma from spectral signatures. Extracting quantitative information from these measurements such as impurity content, ion temperature, rotation, degree of detachment and radiated power depends on calibrated instruments, a physics model of the atomic and molecular processes and plasma transport and an analysis workflow that takes into account environmental effects such as reflections. The particular needs for ITER have prompted a multi-machine, many-year effort to address all these aspects and this chapter reviews the work on diagnostic design, experiments and new analysis techniques. An overview of the laser diagnostics to be implemented on ITER is also provided in this paper. This includes descriptions of the Thomson scattering in the core, edge and divertor regions, polarimetry and interferometry diagnostics used for measuring plasma density and also measurements of helium density in the divertor using Laser Induced Flourescence. Techniques which can allow improvements on current measurements are also addressed in particular expanding poloidal polarimetry measurements to measure field fluctuations and proposed use of dispersion interferometery which has a number of advantages over existing methods. This paper identifies particular areas where further research and testing on existing tokamaks is useful even at this advanced stage to inform the design of diagnostics for ITER. Outstanding areas of concern for the implementation of laser diagnostics, in particular with a view to reliable operation are identified. An overview of the latest developments of microwave diagnostic systems and techniques is given. The primary focus is the contributions for ITER—the next step burning plasma experiment—which is supplemented by describing recent progress of techniques applicable for fusion experiments beyond ITER. The contributions are intentionally kept concise, and are being supplemented by a rich list of references for further studies. Radiation induced effects are receiving continuous and well-deserved attention of the ITER diagnostic community and they are in many cases one of the primary design drivers of the ITER diagnostic systems. The paper summarizes recent progress in this area focusing primarily on the ITER diagnostics but in some cases provides also outlook for the possible solutions for even more demanding radiation environment of fusion reactors beyond ITER. Despite advancements in the area of modeling and simulation of various radiation induced effects, experimental testing in a nuclear environment as close as possible to the target one is still seen as unavoidable for proper qualification of particular diagnostic functional elements. Recent advancement within three diagnostic areas: optical diagnostics, magnetics and bolometers is covered. Encouraging results on qualification of silica glass vacuum window assemblies are presented. In the area of magnetic sensors, progress of irradiation tests performed on ITER in-vessel LTCC inductive sensors is presented with outlook for novel technological approaches to inductive sensors utilizing thick printing and photolithography technologies being highlighted. Summary of advancements in the area of steady state magnetic field sensors based on Hall effect is given. New results of neutron irradiation test of the ITER borosilicate glass inserts for vacuum electrical feedthroughs are summarized finding negligible swelling at target level of neutron fluence. Off-line irradiation tests of fiber optic current sensors for plasma current measurement demonstrated that both for gamma doses up to 5 MGy and a total neutron fluence up to 10 15 cm −2 , radiation induced changes are still compatible with required measurement accuracy on ITER. The ITER bolometers are given as an example how considering radiation effects may influence the diagnostic design. Finally, outlook for future main R&D directions is outlined. All optical and laser-based diagnostics in ITER will be using mirrors to guide plasma radiation toward detectors, cameras and sensors. In the hostile plasma, radiation and particle environment the optical characteristics of diagnostic mirrors will degrade directly affecting the entire performance of involved diagnostic systems. An assessment of factors affecting mirror performance is provided. Among the prime adverse factors are deposition of plasma impurities, sputtering of mirror surface and steam ingress in the vicinity of mirrors. Within the International Tokamak Physics Activity with active support by ITER central team and domestic agencies, the structured research and development (R&D) program on mitigation of risks for diagnostic mirrors is underway. Within this program the mirror material development, the passive mitigation of mirror degradation by using diagnostic ducts and shutters along with an active mirror recovery program comprising the in-situ mirror cleaning and calibration is underway. Recent developments in diagnostic mirror R&D are described in this Chapter along with an example of their implementation of R&D solutions in ITER Infrared Thermography diagnostic. An assessment of still open engineering and physics questions, considerations on mirror risks during an early phase of ITER operation are given along with an overview of diagnostic mirror evolution in the late ITER operation stage toward the demonstration fusion power plant. Several crucial areas of diagnostic R&D outlined in ITER Research Plan are addressed. The basic control groups in a fusion reactor can be broken-down in five categories: (1) plasma position, magnetic configuration, and plasma current control, (2) profile control and confinement optimization, (3) MHD control and suppression, (4) edge dissipation control, radiation and plasma exhaust control and (5) break-down optimization. These categories are coupled via the physics (a control action in one domain will affect the other domains) and via shared actuators (e.g. ECRH for impurity accumulation avoidance, current density distribution control and MHD suppression). Consequently, a supervisory control system should determine the priority of the various control tasks, their couplings, and the interfaces with the safety and interlock system. For the systematic development of the various controllers taking the complexity of the plasma and the control system into account, a model-based approach is required. A short historical overview is given of the developments in systems and control theory and control engineering with special emphasis on those developments that are most relevant for Nuclear Fusion research and operation. An overview is given of the state of the field of fusion plasma control for the control categories. It will be shown how synthetic diagnostics are being developed in ITER and how they are used in diagnostic design and design validation and how they can be in model-based controller synthesis using relatively simple models. In modern control methods, multiple diagnostics are used to constrain relatively simple models. The constrained models provide an estimate for the state. This opens the route to state controllers, such as model predictive control. A major challenge in nuclear fusion research is the coherent combination of data from heterogeneous diagnostics and modeling codes for machine control and safety as well as physics studies. Measured data from different diagnostics often provide information about the same subset of physical parameters. Additionally, information provided by some diagnostics might be needed for the analysis of other diagnostics. A joint analysis of complementary and redundant data allows, e.g. to improve the reliability of parameter estimation, to increase the spatial and temporal resolution of profiles, to obtain synergistic effects, to consider diagnostics interdependencies and to find and resolve data inconsistencies. Physics-based modeling and parameter relationships provide additional information improving the treatment of ill-posed inversion problems. A coherent combination of all kind of available information within a probabilistic framework allows for improved data analysis results. The concept of integrated data analysis (IDA) in the framework of Bayesian probability theory is outlined and contrasted with conventional data analysis. Components of the probabilistic approach are summarized and specific ingredients beneficial for data analysis at fusion devices are discussed.

ITER↗
DOE OSTI2024

Marine aerosol generation experiments in the High Arctic during summertime

The rapidly warming Arctic has transitioned to thinner sea ice which fractures, producing leads. Few studies have investigated Arctic sea spray aerosol (SSA) produced from open ocean, leads, and melt ponds, which vary in salinity and organic and microbial community composition. A marine aerosol reference tank was deployed aboard an icebreaker to the Arctic Ocean during August–September 2018 to study SSA generated from locally collected surface waters. Aerosol generation experiments were carried out using water collected from the marginal ice zone, a human-made hole in sea ice near the North Pole, and both lead and melt pond water during an ice floe drift period. Salinity, chlorophyll a, organic carbon, nitrogen, and microbial community composition were measured. Eukaryotic plankton and bacterial abundance were elevated in experimental water from the marginal ice zone, but the relative contributions from major eukaryotic taxonomic groups varied little across the experiments. The chemical composition of individual SSA particles was analyzed using Raman microspectroscopy and computer-controlled scanning electron microscopy with energy-dispersive X-ray spectroscopy. Individual sea salt aerosol, primary organic aerosol, and mineral dust particles were observed. Sea salt aerosol constituted 44–95% of individual submicrometer and 68–100% of supermicrometer particles, by number, generated during each experiment. Carbon was detected in 85%, by number, of the individual sea salt particles, with visible organic coatings. Carbohydrates were detected in 72% of particles, by number, with smaller contributions from long-chain fatty acids (13%) and siliceous material (15%). SSA generated from melt pond water contained only long-chain fatty acids and siliceous material. Quantification of the ice-nucleating activity showed that locally produced SSA may define the High Arctic background ice-nucleating particle population, but cannot account for the peak atmospheric concentrations observed. As the Arctic warms, the increasing SSA emissions have a complex dependence on changing biological and physical processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Outflowing photoionized plasma in Circinus X-1 using the high-resolution X-ray spectrometer Resolve onboard XRISM and the radiative transfer code cloudy

High-resolution X-ray spectroscopy is a key to understanding the mass inflow and outflow of compact objects. Spectral lines carry information about the ionization, density, and velocity structures through their intensity ratios and profiles. They are formed in non-local thermodynamic equilibrium conditions under the intense radiation field from the compact objects; thus radiative transfer (RT) calculation is a requisite for proper interpretations. We present such a study for a low-mass X-ray binary, Circinus X-1, from which the P Cygni profile was discovered using the X-ray grating spectrometer onboard Chandra. We observed the source using the X-ray microcalorimeter onboard XRISM at an orbital phase of 0.93–0.97 and revealed many spectral features unidentified before: the higher series transitions ($n{\rightarrow }1$; $n>2$) of highly ionized (H- and He-like) S, Ca, Ar, and Fe in emission and absorption, the Fe K$\alpha$ and K$\beta$ inner-shell excitation absorption of mildly ionized (O- to Li-like) Fe, and resolved fine-structure level transitions in the Fe Ly$\alpha$ and He$\alpha$ complexes. They blend with each other at different velocity shifts on top of apparently variable continuum emission that changed its flux by an order of magnitude within a 70 ks telescope time. Despite such complexity in the observed spectra, most of them can be explained by a simple model consisting of the photoionized plasma outflowing at $\sim$300 km s$^{-1}$ and the variable blocking material in the line of sight of the incident continuum emission from the accretion disk. We demonstrate this with the aid of the RT code cloudy for the line ratio diagnostics and spectral fitting. We further constrain the physical parameters of the outflow and argue that the outflow is launched close to the outer edge of the accretion disk and can be driven radiatively by being assisted by the line force calculated using the RT simulation.

X-rays: binaries↗
DOE OSTI2025

Evaluating Brightness and Stability of Cathodoluminescence from Colloidal Semiconductor Nanocrystals

Cathodoluminescence offers promise as a technique for correlation of atomic structure with electronic structure at the level of individual nanoparticles or even defects, with the ability to analyze complex nanostructures at length-scales far below those typically available to optical spectroscopy. Unlike other forms of electron microscopy, cathodoluminescence offers direct insights into the electronic structure of the visualized sample. Despite reports more than 10 years ago of individual nanoparticle cathodoluminescence, effective cathodoluminescence collection from colloidal semiconductor materials is relatively rare and remains challenging due to the instability of materials under the conditions of electron beam irradiation. In this work, to clarify the roadblocks for cathodoluminescence analysis of colloidal nanocrystals, we attempt a comprehensive study of the cathodoluminescence properties of semiconductor quantum shells, which have a thin concentric CdSe shell surrounding CdS nanoparticles, then surrounded by a further concentric CdS shell. These same materials were recently demonstrated to show promising scintillation performance in radioluminescence measurements, including high brightness (up to 100 ph/keV) and excellent durability. Comparative quantum yield measurements are designed to assess the brightness of semiconductor nanocrystal films, which show that the quantum shells are much less bright under electron irradiation compared to X-ray photons. Instability of CL emission is assigned to charging effects on the samples—and not thermal effects—through a series of voltage, current, dwell time, and atmospheric pressure experiments.

cathodoluminescence↗
DOE OSTI2024

Insights into the laser-assisted photoelectric effect from solid-state surfaces

Photoemission from a solid surface provides a wealth of information about its electronic structure and dynamic evolution. Ultrafast pump-probe experiments offer real-time access to photon-surface interactions and the resulting electron dynamics. Here, we present a femtosecond time-resolved photoelectron spectroscopy study of laser-assisted photoemission (LAPE) from two different metal surfaces, tungsten and platinum. Utilizing synchronized IR laser and x-ray pulses, photoelectron sideband generation up to the sixth order is observed. A significant material-dependent variation of the LAPE response has not been predicted by previous theoretical models, to the best of our knowledge. The observed phenomena are semiquantitatively reproduced by considering distinct dynamic dielectric responses of the two materials. In conclusion, these findings provide a deeper understanding of the LAPE process and insights into the dynamic interplay between optical laser fields and metal surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Thermal and kinematic properties of ejecta in SN1987A revealed by XRISM

We present an analysis of high-resolution spectra from the shock-heated plasmas in SN 1987A, based on an observation using the Resolve instrument onboard the X-Ray Imaging and Spectroscopy Mission (XRISM). The 1.7–10 keV Resolve spectra are accurately represented by a single-component, plane-parallel shock plasma model, with a temperature of $2.84_{-0.08}^{+0.09}$ keV and an ionization parameter of $2.64_{-0.45}^{+0.58}$ × $10^{11}\,\,{\rm s\,\, cm}^{-3}$. The Resolve spectra are also well reproduced by the 3D magneto-hydrodynamic simulation presented by Orlando et al. (2020, A&A, 636, A22) suggesting substantial contribution from the ejecta. The metal abundances obtained with Resolve align with the Large Magellanic Cloud value, indicating that the X-rays in 2024 originate from “non-metal-rich” shock-heated ejecta and the reverse shock has not reached the inner metal-rich region of ejecta. Doppler widths of the atomic lines from Si, S, and Fe correspond to velocities of 1500–1700 km s$^{-1}$, where the thermal broadening effects in this non-metal-rich plasma are negligible. Therefore, the line broadening seen in Resolve spectra is determined by the large bulk motion of ejecta. For reference, we determined a $90\%$ upper limit on non-thermal emission from a pulsar wind nebula at $4.3 \times 10^{-13}$ erg cm$^{-2}$ s$^{-1}$ in the 2–10 keV range, aligning with NuSTAR findings by Greco et al. (2022, ApJ, 931, 132). Additionally, we searched for the $^{44}$Sc K line feature and found a $1\sigma$ upper limit of $1.0 \times 10^{-6}$ photons cm$^{-2}$ s$^{-1}$, which translates to an initial $^{44}$Ti mass of approximately $2 \times 10^{-4}\, M_{\odot }$, consistent with previous X-ray to soft gamma-ray observations (Boggs et al. 2015, Science, 348, 670; Grebenev et al. 2012, Nature, 490, 373; Leising 2006, ApJ, 651, 1019).

ISM: supernova remnants↗
DOE OSTI2025

Computational and Experimental Investigation of Chiral and Achiral Two‐Dimensional Organic Lead Bromide Perovskites: Octahedral Distortions and Electronic and Optical Properties

A computational investigation is presented, in conjunction with synthesis and experimental characterization, into the structural, electronic, and optical properties of layered two-dimensional organic lead bromide perovskites. Materials based on the chiral (R/S)-4-fluoro-α-methylbenzylammonium (R/S-FMBA), which have been shown to lead to bright room-temperature circularly polarized luminescence, are contrasted with the similar achiral 4-fluorobenzylammonium (FBA). Using density functional theory (DFT) with van der Waals (vdW) corrections, relaxed structures (compared with X-ray diffraction, XRD) and optical absorption spectra (compared with experiments) are studied, as well as band structure and orbital character of transitions. A Python code is developed and provided to calculate octahedral distortions and compare DFT and XRD results, finding that vdW corrections are important for accuracy and that DFT overestimates octahedral tilt angles. (FMBA) 2 PbBr 4 shows among the largest tilt angle differences (often termed Δ β ) reported, 14°–15°, indicating strong inversion symmetry-breaking, which enables its chiral emission. A large resulting Dresselhaus spin-splitting effect is found. The lowest-energy optical transitions involve the perovskite only and are polarized within the layer. This work furthers understanding of structure-property relations with applications to optoelectronics and spintronics.

UV/vis spectroscopy↗
DOE OSTI2025

The Auger Radioisotope Microscope: an instrument for characterization of Auger electron multiplicities and energy distributions

We describe a new instrument, the Argonne Auger Radioisotope Microscope (ARM), capable of characterizing the Auger electron (AE) emission of radionuclides, including candidates relevant in nuclear medicine. Our approach relies on event-by-event ion–electron coincidence, time-of-flight, and spatial readout measurement to determine correlated electron multiplicity and energy distributions of Auger decays. We present a proof-of-principle measurement with the ARM using x-ray photoionization of stable krypton beyond the K-edge and identify a bifurcation in the electron multiplicity distribution depending on the emission of K-LX electrons. Extension of the ARM to the characterization of radioactive sources of AE emissions is enabled by the combination of two recent developments: (1) cryogenic buffer gas beam technology to introduce Auger emitters into the detection region with well-defined initial conditions, and (2) large-area micro-channel plate detectors with multi-hit detection capabilities to simultaneously detect multiple electrons emitted in a single decay.

Auger emitters↗
DOE OSTI2025

Reconciling the Different Apparent Decay Pathways for Iron(III) Tetraphenylporphyrin Chloride: Evidence for Excited State Branching

Detailed understanding of the photophysical properties of metalloporphyrins is key to rationally exploiting them in a variety of applications ranging from photocatalysis to opto-magnetics. Previous studies of the ferric-tetraphenylporphyrin chloride have provided contradictory descriptions of the excited state evolution. Optical transient-absorption suggested initial formation of a ππ* excited state, followed by ligand-to-metal charge-transfer (LMCT) from the porphyrin ring and then decay on the ∼2 ps time scale to a metal-centered excited state that had a lifetime of ∼15 ps. In contrast, femtosecond extreme ultraviolet transient-absorption at the Fe M 2,3 -edge, while agreeing on the initial formation of an LMCT state, found evidence that this decayed in ∼2 ps to the ground state. Here, we have used K-edge transient X-ray absorption and X-ray emission, together with time-resolved X-ray solution scattering to explore this system. Based on these data, we propose a new model, consistent with both the earlier and the current data, in which photoexcited FeTPPCl evolves through three different states on the LMCT manifold, with the ∼2 ps decay now seen to involve a branching between return to the ground state (∼70%) and formation of a long-lived LMCT state (∼30%).

Excited states↗
DOE OSTI2026

Measuring X-Ray Emission Line Shapes in Neutral Species for XRISM Calibration

Space X-ray spectrometers such as the Resolve instrument on XRISM require precise calibration in order to interpret the spectra of astrophysical objects. Key components of the calibration are the energy scale and the core line spread function, both of which vary with photon energy. A major issue in the calibration of high-resolution spectrometers is locating good calibrators with well-known and stable intrinsic line shapes. Neutral fluorescence is widely used, but inner-shell transitions in neutral atoms often exhibit complex, poorly documented line shapes that vary with excitation conditions. Here, in this study, we present empirical measurements of K-shell transitions in neutral O and F below 1 keV using an engineering model XRISM calorimeter array, an electron bombardment modulated X-ray source, and an electron beam ion trap (EBIT) to provide a precise energy reference. In addition, we report measurements of the Mo Lα complex with the transition-edge microcalorimeter spectrometer (TEMS), which reveal strong satellite structure and sensitivity of the line shape to the incident exciting spectrum. Together, these results demonstrate the need for empirical line-shape models, highlight the nonstationary nature of neutral fluorescence features, and define a path toward developing transfer standards for XRISM and future precision instruments such as Athena/X-IFU.

Astronomy and AstroPhysics↗
DOE OSTI2025

Angularly resolved spectral reconstruction of x rays via filter pack attenuation

We have designed a new filter pack array to measure angular variations in x-ray spectra during a single shot. The filter pack was composed of repeating identical columns of aluminum and copper filters of varying thicknesses. These columns were located at different positions to measure the spectrum at each corresponding angle. This array was utilized in an experiment to measure the energy evolution of betatron x rays in a laser wakefield accelerator by curving the wakefield with a transverse density gradient, streaking the x rays across the array in front of an x-ray charge-coupled device (CCD) camera. After subtracting the background and “flattening” the image to remove spatial nonuniformities, a critical energy was calculated for each position that produced the best agreement with the measured signal. There was a clear change in critical energy with angle, shedding light on the dynamics of the electrons that traveled through the accelerator. Furthermore, these angles correspond to distinct emission times, covering a timescale of tens of picoseconds. The filter pack was capable of recovering these angular details without the impact of errors introduced by shot-to-shot variability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Platinum and Gold Supported on Transition Metal Nitrides for Hydrogen Evolution in an Alkaline Electrolyte

Here, as the urgency to reduce reliance on fossil fuels increases due to carbon dioxide emissions, hydrogen produced by renewably powered water electrolysis has emerged as a promising technology. Alkaline electrolyzers typically exhibit lower current densities than acidic electrolyzers due to the slow kinetics of the hydrogen evolution reaction (HER) under alkaline conditions. This work developed Pt- and Au-modified transition metal nitride (TMN) thin films for improving alkaline HER kinetics. One monolayer Pt–VN, Pt–Mo 2 N, and Pt–TiN were the most promising thin-film catalysts, with alkaline HER activity approaching that of a bulk Pt foil. Additionally, the Gibbs free energy of adsorbed hydrogen was identified as a useful descriptor for alkaline HER activity on TMN and TMN-supported catalysts and has the potential to guide future studies on TMN-based catalysts for enhancing alkaline HER. For practical applications, the thin-film catalysts were then extended to Pt- and Au-modified TMN powders for alkaline HER. Both 5 wt % Pt/TiN and 2 wt % Pt/TiN powders exhibited lower overpotentials at 5 mA/cm 2 when normalized by the Pt electrochemical surface area than the commercial 5 wt % Pt/C benchmark, suggesting a Pt–TiN synergy that creates opportunities for more cost-effective alkaline HER cathodes. Moreover, 20 wt % Au/Mo 2 N also displayed an enhancement in HER activity when compared to the commercial 20 wt % Au/C benchmark.

58 GEOSCIENCES↗
DOE OSTI2026

Co‐Electrolysis of CO 2 and H 2 O to Syngas on Bimetallic Pd x Cu 1‐ x Catalysts for Tandem Thermochemical Conversion to Carbon Nanofibers

Electrification of chemical production using renewable energy and abundant feedstocks offers a promising pathway for decarbonizing the chemical industry. Current efforts on CO 2 valorization largely focus on making chemicals and fuels. Here, to help achieve net-negative emissions through long-term carbon storage, this study aims to develop efficient electrocatalysts for a tandem electrochemical-thermochemical process to convert CO 2 into carbon nanofibers (CNFs). CO 2 and water are first electrochemically reduced in a membrane electrode assembly (MEA) electrolyzer to produce syngas (CO + H 2 ), which is subsequently fed into a thermochemical packed bed reactor to facilitate CNF growth. This work systematically evaluated Pd x Cu 1-x bimetallic electrocatalysts to assess the effect of Pd–Cu alloying on enhancing syngas production while reducing Pd loading. Transmission electron microscopy and Raman spectroscopy confirmed the formation of high-purity, crystalline CNFs, regardless of the syngas composition from the MEA. In situ X-ray absorption spectroscopy and X-ray diffraction measurements revealed that increasing Cu content in the Pd x Cu 1-x alloy progressively inhibited palladium hydride formation, consistent with DFT calculations on the stability of Pd x Cu 1-x under reducing electrochemical potentials.

58 GEOSCIENCES↗
DOE OSTI2024

Insights into the Surface Electronic Structure and Catalytic Activity of InO x /Au(111) Inverse Catalysts for CO 2 Hydrogenation to Methanol

In this article, the direct conversion of carbon dioxide (CO 2 ) into methanol (CH 3 OH) via low-temperature hydrogenation is crucial for recycling anthropogenic CO 2 emissions and producing fuels or high value chemicals. Nevertheless, it continues to be a great challenge due to the trade-off between selectivity and catalytic activity. For CO 2 hydrogenation, In 2 O 3 catalysts are known for their high CH 3 OH selectivity. Subsequent studies explored depositing metals on In 2 O 3 to enhance CO 2 conversion. Despite extensive research on metal (M) supported In 2 O 3 catalysts, the role of In-M alloys and M/In 2 O 3 interfaces in CO 2 activation and CH 3 OH selectivity remains unclear. In this work, we have examined the behavior of In/Au(111) alloys and InO x /Au(111) inverse systems during CO 2 hydrogenation using synchrotron-based ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) and catalytic tests in a batch reactor. Indium forms alloys with Au(111) after deposition. The In-Au(111) alloys display high reactivity towards CO 2 and can dissociate the molecule at room temperature to generate InO x nanostructures. At very low coverages of In (≤ 0.05 ML), the InO x nanostructures are not stable under CO 2 hydrogenation conditions and the active In-Au(111) alloys produces mainly CO and little methanol. An increase in indium coverage to 0.3 ML led to stable InOx nanostructures under CO 2 hydrogenation conditions. These InO x /Au(111) catalysts displayed a high selectivity (~ 80 %) towards CH 3 OH production and an activity for CO 2 conversion that was at least 10 times larger than that of plain In 2 O 3 or Cu(111) and Cu/ZnO(000$\overline{1)}$ benchmark catalysts. The results of AP-XPS show that InO x /Au(111) produces methanol via methoxy intermediates. Inverse oxide/metal catalysts containing InOx open up a possibility for improving CO 2 → CH 3 OH conversion in processes associated with the control of environmental pollution and the production of high value chemicals.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Systematic characterization of selenium speciation in coal fly ash

Millions of tons of coal fly ashes (CFAs) are produced annually during coal combustion in the U.S., which are commonly beneficially used in the concrete industry or disposed of in ash ponds. CFAs contain trace amounts of a range of toxic heavy metals including selenium (Se). Because the toxicity of Se is dependent on its speciation, investigating Se speciation in CFAs as affected by coal source and combustion conditions can help understand the related environmental and human health impacts during disposal or beneficial reuse. In this study, a set of representative CFA samples were characterized for Se speciation using synchrotron X-ray absorption spectroscopy (XAS) and micro-X-ray fluorescence spectromicroscopy (μ-XRF/XAS). Se-containing particles were highly heterogeneous, and individual particles might contain multiple oxidation states including Se(0), Se(IV), and Se(VI). Principal component analysis was performed for sample characteristics including Al 2 O 3 , SiO 2 , CaO, FeO, loss on ignition, average particle size, Se concentration, and Se oxidation state. Selective catalytic reduction (SCR), which is used to limit nitrogen oxide (NO x ) emissions during coal combustion, was found to be associated with the presence of reduced Se oxidation states, with up to 90% Se(0) observed in samples with SCR. Alongside SCR, FeO content may also influence Se speciation.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Multiscale and multidimensional modeling of particle acceleration and transport in solar flares

Multi-messenger, multi-viewpoint, and time-resolved observations of solar flares are now providing unprecedented constraints on particle acceleration sites, energy conversion, and energy transport. The interpretation of current observations, including microwave imaging spectroscopy from EOVSA, hard x-ray (HXR) imaging from Solar Orbiter/STIX, gamma-ray diagnostics from Fermi, and in situ measurements from Parker Solar Probe and Solar Orbiter, collectively demands modeling frameworks that go beyond traditional spatially unresolved, one-zone models or single-mechanism descriptions. This review surveys multiscale and multidimensional modeling approaches, including kinetic, magnetohydrodynamic (MHD), and macroscopic particle models, that are being developed to meet the need. Kinetic simulations reveal that three-dimensional (3D) effects, including field-line chaos and self-generated turbulence, are essential for sustained power-law particle acceleration. MHD simulations now capture flux-rope eruptions, plasmoid-unstable current sheets, and turbulent flare regions in realistic magnetic topologies. Macroscopic models coupling MHD with energetic-particle models produce spatially resolved electron distributions and synthetic HXR and microwave emissions for direct comparison with observations. Despite these advances, outstanding challenges remain in bridging kinetic and global scales, improving MHD simulations and macroscopic particle models, and achieving quantitative model-observation closure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

First use of an InSb crystal for x-ray imaging spectroscopy of highly ionized tungsten in the Wendelstein 7-X stellarator

Advances in time and space resolved measurements of highly charged states of tungsten (W) through x-ray imaging spectroscopy have enabled investigation of impurity transport in the Wendelstein 7-X (W7-X) stellarator. The high-resolution x-ray imaging spectrometer (HR-XIS) system on W7-X utilizes the Bragg diffraction properties of a set of multiple crystals to measure a range of impurity emission lines within sections of the 1–7 Å wavelength range, including transitions of W. A new indium–antimonide crystal has been installed on the HR-XIS system to allow viewing of the 5.5–6.2 Å region focusing on emissions of W. Consequently, many bright W emission lines from W 40+ to W 47+ were observed in this wavelength range, both in plasmas with injected W and in those with only intrinsic W impurity sources, showing the high sensitivity of the diagnostic. Three W 46+ emissions correspond in wavelength and intensity with calculated photon emissivity coefficients and can be exploited for W transport and concentration applications in plasmas with T e ≳ 2.1 keV. Here, an estimate of the core W density behavior in two separate turbulence-reduced ‘high-performance’ (HP) discharges on W7-X is done using the 5.6893 Å W 46+ line. The n W behavior in HP scenarios can be explained by previous experimental results and neoclassical predictions.

XICS↗
DOE OSTI2024

The XRISM/Resolve View of the Fe K Region of Cyg X-3

The X-ray binary system Cygnus X-3 (4U 2030+40, V1521 Cyg) is luminous but enigmatic owing to the high intervening absorption. High-resolution X-ray spectroscopy uniquely probes the dynamics of the photoionized gas in the system. In this Letter, we report on an observation of Cyg X-3 with the XRISM/Resolve spectrometer, which provides unprecedented spectral resolution and sensitivity in the 2–10 keV band. We detect multiple kinematic and ionization components in absorption and emission whose superposition leads to complex line profiles, including strong P Cygni profiles on resonance lines. The prominent Fe xxv Heα and Fe xxvi Lyα emission complexes are clearly resolved into their characteristic fine-structure transitions. Self-consistent photoionization modeling allows us to disentangle the absorption and emission components and measure the Doppler velocity of these components as a function of binary orbital phase. We find a significantly higher velocity amplitude for the emission lines than for the absorption lines. The absorption lines generally appear blueshifted by ∼−500–600 km s −1 . We show that the wind decomposes naturally into a relatively smooth and large-scale component, perhaps associated with the background wind itself, plus a turbulent, denser structure located close to the compact object in its orbit.

Audard, Marc (ORCID:000000034721034X)↗