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NASA NTRS2009

Proceedings of the 40th Lunar and Planetary Science Conference

The 40th Lunar and Planetary Science Conference included sessions on: Phoenix: Exploration of the Martian Arctic; Origin and Early Evolution of the Moon; Comet Wild 2: Mineralogy and More; Astrobiology: Meteorites, Microbes, Hydrous Habitats, and Irradiated Ices; Phoenix: Soil, Chemistry, and Habitability; Planetary Differentiation; Presolar Grains: Structures and Origins; SPECIAL SESSION: Venus Atmosphere: Venus Express and Future Missions; Mars Polar Caps: Past and Present; SPECIAL SESSION: Lunar Missions: Results from Kaguya, Chang'e-1, and Chandrayaan-1, Part I; 5 Early Nebula Processes and Models; SPECIAL SESSION: Icy Satellites of Jupiter and Saturn: Cosmic Gymnasts; Mars: Ground Ice and Climate Change; SPECIAL SESSION: Lunar Missions: Results from Kaguya, Chang'e-1, and Chandrayaan-1, Part II; Chondrite Parent-Body Processes; SPECIAL SESSION: Icy Satellites of Jupiter and Saturn: Salubrious Surfaces; SNC Meteorites; Ancient Martian Crust: Primary Mineralogy and Aqueous Alteration; SPECIAL SESSION: Messenger at Mercury: A Global Perspective on the Innermost Planet; CAIs and Chondrules: Records of Early Solar System Processes; Small Bodies: Shapes of Things to Come; Sulfur on Mars: Rocks, Soils, and Cycling Processes; Mercury: Evolution and Tectonics; Venus Geology, Volcanism, Tectonics, and Resurfacing; Asteroid-Meteorite Connections; Impacts I: Models and Experiments; Solar Wind and Genesis: Measurements and Interpretation; Mars: Aqueous Processes; Magmatic Volatiles and Eruptive Conditions of Lunar Basalts; Comparative Planetology; Interstellar Matter: Origins and Relationships; Impacts II: Craters and Ejecta Mars: Tectonics and Dynamics; Mars Analogs I: Geological; Exploring the Diversity of Lunar Lithologies with Sample Analyses and Remote Sensing; Chondrite Accretion and Early History; Science Instruments for the Mars Science Lander; . Martian Gullies: Morphology and Origins; Mars: Dunes, Dust, and Wind; Mars: Volcanism; Early Solar System Chronology; Seek Out and Explore: Upcoming and Future Missions; Mars: Early History and Impact Processes; Mars Analogs II: Chemical and Spectral; Achondrites and their Parent Bodies; and Planning for Future Exploration of the Moon The poster sessions were: Lunar Missions: Results from Kaguya, Chang'e-1, and Chandrayaan-1; LRO and LCROSS; Geophysical Analysis of the Lunar Surface and Interior; Remote Observation and Geologic Mapping of the Lunar Surface; Lunar Spectroscopy; Venus Geology, Geophysics, Mapping, and Sampling; Planetary Differentiation; Bunburra and Buzzard Coulee: Recent Meteorite Falls; Meteorites: Terrestrial History; CAIs and Chondrules: Records of Early Solar System Processes; Volatile and Organic Compounds in Chondrites; Crashing Chondrites: Impact, Shock, and Melting; Ureilite Studies; Petrology and Mineralogy of the SNC Meteorites; Martian Meteorites; Phoenix Landing Site: Perchlorate and Other Tasty Treats; Mars Polar Atmospheres and Climate Modeling; Mars Polar Investigations; Mars Near-Surface Ice; Mars: A Volatile-Rich Planet; Mars: Geochemistry and Alteration Processes; Martian Phyllosilicates: Identification, Formation, and Alteration; Astrobiology; Instrument Concepts, Systems, and Probes for Investigating Rocks and Regolith; Seeing is Believing: UV, VIS, IR, X- and Gamma-Ray Camera and Spectrometer Instruments; Up Close and Personal: In Situ Analysis with Laser-Induced Breakdown Spectroscopy and Mass Spectrometry; Jupiter and Inscrutable Io; Tantalizing Titan; Enigmatic Enceladus and Intriguing Iapetus; Icy Satellites: Cryptic Craters; Icy Satellites: Gelid Geology/Geophysics; Icy Satellites: Cool Chemistry and Spectacular Spectroscopy; Asteroids and Comets; Comet Wild 2: Mineralogy and More; Hypervelocity Impacts: Stardust Models, LDEF, and ISPE; Presolar Grains; Early Nebular Processes: Models and Isotopes; Solar Wind and Genesis: Measurements and Interpretation; Education and Public Outreach; Mercury; Pursuing Lunar Exploration; Sources and Eruptionf Lunar Basalts; Chemical and Physical Properties of the Lunar Regolith; Lunar Dust and Transient Surface Phenomena; Lunar Databases and Data Restoration; Meteoritic Samples of the Moon; Chondrites, Their Clasts, and Alteration; Achondrites: Primitive and Not So Primitive; Iron Meteorites; Meteorite Methodology; Antarctic Micrometeorites; HEDs and Vesta; Dust Formation and Transformation; Interstellar Organic Matter; Early Solar System Chronology; Comparative Planetology; Impacts I: Models and Experiments; Impacts II: Craters and Ejecta; Mars: Volcanism; Mars: Tectonics and Dynamics; Martian Stratigraphy: Understanding the Geologic History of Mars Through the Sedimentary Rock Record; Mars: Valleys and Valley Networks; Mars: Aqueous Processes in Valles Marineris and the Southern Highlands; Mars: Aqueous Geomorphology; Martian Gullies: Morphology and Origins; Mars: Dunes, Dust, and Wind; Mars: Remote Sensing; Mars: Geologic Mapping, Photogrammetry, and Cratering; Martian Mineralogy: Constraints from Missions and Laboratory Investigations; Mars Analogs: Chemical and Physical; Mars Analogs: Sulfates and Sulfides; Missions: Approaches, Architectures, Analogs, and Actualities; Not Just Skin Deep: Electron Microscopy, Heat Flow, Radar, and Seismology Instruments and Planetary Data Systems, Techniques, and Interpretation.

Source record↗

DOE OSTI2021

Semicomputational calculation of Bragg shift in stratified materials

The fiber Bragg grating (FBG) may be viewed as a one dimensional photonic band-gap crystal by virtue of the periodic spatial perturbation imposed on the fiber core dielectric material. Similar to media supporting Bloch waves, the engraved weak index modulation, presenting a periodic “potential” to an incoming guided mode photon of the fiber, yields useful spectral properties that have been the basis for sensing applications and emerging quantum squeezing and solitons. The response of an FBG sensor to arbitrary external stimuli represents a multiphysics problem without a known analytical solution despite the growing use of FBGs in classical and quantum sensing and metrology. Here, we study this problem by first presenting a solid mechanics model for the thermal and elastic states of a stratified material. Additionally, the model considers an embedded optical material domain that represents the Bragg grating, here in the form of an FBG. Using the output of this model, we then compute the optical modes and their temperature- and stress-induced behavior. The developed model is applicable to media of arbitrary shape and composition, including soft matter and materials with nonlinear elasticity and geometric nonlinearity. Finally, we employ the computed surface stress and temperature distributions along the grating to analytically calculate the Bragg shift, which is found to be in reasonable agreement with our experimental measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Along-Trajectory Acoustic Signal Variations Observed During the Hypersonic Re-Entry of the OSIRIS-REx Sample Return Capsule

The re-entry of the Origins, Spectral Interpretation, Resource Identification, and Security-Regolith Explorer (OSIRIS-REx) sample return capsule (SRC) on 24 September 2023 presented a rare opportunity to study atmospheric entry dynamics through a dense network of ground-based infrasound sensors. As the first interplanetary capsule to re-enter over the United States since Stardust in 2006, this event allowed for unprecedented observations of infrasound signals generated during hypersonic descent. We deployed 39 single-sensor stations across Nevada and Utah, strategically distributed to capture signals from distinct trajectory points. Infrasound data were analyzed to examine how signal amplitude and period vary with altitude and propagation path for a nonablating hypersonic object with well-defined physical and aerodynamic properties. Raytracing simulations incorporated atmospheric specifications from the ground-2-space model to estimate source altitudes for observed signals. Results confirmed ballistic arrivals at all stations, with source altitudes ranging from 44 to 62 km along the trajectory. Signal period and amplitude exhibited strong dependence on source altitude, with higher altitudes corresponding to lower amplitudes, longer periods, and reduced high-frequency content. Regression analysis demonstrated strong correlations between signal characteristics and both altitude and propagation geometry. Our results suggest, when attenuation is considered, the amplitude is primarily determined by the source, with the propagation path playing a secondary role over the distances examined. These findings emphasize the utility of controlled SRC re-entries for advancing our understanding of natural meteoroid dynamics, refining atmospheric entry models, and improving methodologies for planetary defense. The OSIRIS-REx SRC campaign represents the most comprehensive infrasound study of a hypersonic re-entry to date, showcasing the potential of coordinated geophysical observational networks for high-energy atmospheric phenomena, including space debris re-entries.

58 GEOSCIENCES↗

DOE OSTI2021

Direct Measurement of Helicoid Surface States in RhSi Using Nonlinear Optics

Despite the fundamental nature of the edge state in topological physics, direct measurement of electronic and optical properties of the Fermi arcs of topological semimetals has posed a significant experimental challenge, as their response is often overwhelmed by the metallic bulk. However, laser-driven currents carried by surface and bulk states can propagate in different directions in nonsymmorphic crystals, allowing for the two components to be easily separated. Motivated by a recent theoretical prediction G. Chang et al., Phys. Rev. Lett. 124, 166404 (2020), we have measured the linear and circular photogalvanic effect currents deriving from the Fermi arcs of the nonsymmorphic, chiral Weyl semimetal RhSi over the 0.45-1.1 eV incident photon energy range. Our data are in good agreement with the predicted spectral shape of the circular photogalvanic effect as a function of photon energy, although the direction of the surface photocurrent departed from the theoretical expectation over the energy range studied. In conclusion, surface currents arising from the linear photogalvanic effect were observed as well, with the unexpected result that only two of the six allowed tensor element were required to describe the measurements, suggesting an approximate emergent mirror symmetry inconsistent with the space group of the crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Nanoscale visualization and spectral fingerprints of the charge order in ScV 6 Sn 6 distinct from other kagome metals

Charge density waves (CDWs) in kagome metals have been tied to many exotic phenomena. Here, using spectroscopic-imaging scanning tunneling microscopy and angle-resolved photoemission spectroscopy, we study the charge order in kagome metal ScV 6 Sn 6 . The similarity of electronic band structures of ScV 6 Sn 6 and TbV 6 Sn6 (where charge ordering is absent) suggests that charge ordering in ScV 6 Sn 6 is unlikely to be primarily driven by Fermi surface nesting of the Van Hove singularities. In contrast to the CDW state of cousin kagome metals, we find no evidence supporting rotation symmetry breaking. Differential conductance dI/dV spectra show a partial gap Δ 1 CO ≈ 20 meV at the Fermi level. Interestingly, dI/dV maps reveal that charge modulations exhibit an abrupt phase shift as a function of energy at energy much higher than Δ 1 CO , which we attribute to another spectral gap. Our experiments reveal a distinctive nature of the charge order in ScV 6 Sn 6 with fundamental differences compared to other kagome metals.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Opacity Table Generation

Radiation opacity is a key property of material systems which describes the absorption and scattering of photons. Such processes are an important part of energy transport, diagnostics, and astrophysical phenomena. Recent experiments in iron opacity and continuum lowering have sparked renewed interest in and careful vetting of opacity models. Even within the local thermodynamic equilibrium approximation, opacity varies over a large parameter space: material, temperature, density, and energy. Opacity tables that span wide regimes of this parameter space are of prime importance to radiation-hydrodynamics codes. Accurate opacity calculations cannot be achieved inline during a radiation hydrodynamics simulation since they involve accounting for all possible electron transitions of all important atomic states of a thermal ensemble. Livermore’s current framework utilizes precalculated tables at many densities, temperatures, and energies. Last year, the opacity theory team completed an L2 milestone concerning the development of a new code, Opus, which served the dual purpose of creating a modern code infrastructure and version control as well as the basis for training new members of that team, a critical need as key members near or are passed retirement. For the current L2 milestone, we exercised and validated Opus on three elements: boron, carbon, and nitrogen, which have few enough electrons to allow a careful convergence study over many input parameters. Here, we report on the production of new tables, show their convergence with respect to important parameters, state some of their limitations, and document a mostly automated production process. In this section, we address the milestone completion criteria, found on the title page and the subsection headings. In section 2, we validate Opus against Tycho and compare with TabOp and Atomic. Section 3 details some of the physics implemented in Opus and relevant to this report. We then cover details of the density-temperature grid in section 4 and do a spectral comparison between different parameter settings and different codes in section 5. After summarizing these results in section 6, we give instructions how to run the opacity table scripts in appendix A and document the scripts and input/output files in appendix B.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Generalizable machine learning potentials for quantum-accurate predictions of non-equilibrium behavior in 2D materials

Machine learning interatomic potentials (ML-IAPs) are emerging as transformative tools in materials modeling, promising quantum-level accuracy at a fraction of the computational cost. However, their ability to generalize beyond equilibrium configurations and to reliably capture defect- and temperature-driven behavior remains underexplored. Here, we develop and benchmark two state-of-the-art ML-IAPs, Spectral Neighbor Analysis Potential (SNAP) and Allegro, on a comprehensive dataset for monolayer MoSe₂. Using density functional theory (DFT) as the reference, we evaluate their performance in capturing stress–strain behavior, phase transition energetics, defect evolution, edge stability, and fracture toughness. Allegro, a deep equivariant neural network potential, surpasses both SNAP and the classical Tersoff potential in accuracy, efficiency, and transferability. Importantly, both ML potentials accurately reproduce experimental fracture measurements and ab initio predictions of inversion domain formation—phenomena well beyond their training sets. Our findings establish ML-IAPs as viable replacements for traditional force fields in the study of non-equilibrium mechanical phenomena, enabling large-scale, high-fidelity simulations in 2D materials and beyond. In conclusion, this work provides a broadly applicable framework for data-driven modeling of structural and functional transformations under extreme conditions.

2D materials↗

DOE OSTI2020

Spectral weight reduction of two-dimensional electron gases at oxide surfaces across the ferroelectric transition

The discovery of a two-dimensional electron gas (2DEG) at the LaAlO 3 /SrTiO 3 interface has set a new platform for all-oxide electronics which could potentially exhibit the interplay among charge, spin, orbital, superconductivity, ferromagnetism and ferroelectricity. In this work, by using angle-resolved photoemission spectroscopy and conductivity measurement, we found the reduction of 2DEGs and the changes of the conductivity nature of some ferroelectric oxides including insulating Nb-lightly-substituted KTaO 3 , BaTiO 3 (BTO) and (Ca,Zr)-doped BTO across paraelectric-ferroelectric transition. We propose that these behaviours could be due to the increase of space-charge screening potential at the 2DEG/ferroelectric regions which is a result of the realignment of ferroelectric polarisation upon light irradiation. This finding suggests an opportunity for controlling the 2DEG at a bare oxide surface (instead of interfacial system) by using both light and ferroelectricity.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Attosecond Optical Orientation

Circularly polarized light offers opportunities to probe symmetry-dependent properties of matter such as chirality and spin. Circular-dichroic measurements typically require further intrinsic or extrinsic breaking of symmetry by, e.g., enantiomeric excess, orientation, magnetic fields, or direction-sensitive detectors. Here we introduce circular-dichroic attosecond transient absorption spectroscopy by leveraging the angular momentum of two circularly polarized pulses, both pump and probe, in an isotropic medium, optically orienting the angular momentum of excited states on an attosecond timescale. We investigate a circular-dichroic measurement of the attosecond transient absorption of He Rydberg states. By limiting the allowed pathways via dipole selection rules for co- and counterrotating circularly polarized near-infrared and extreme ultraviolet (XUV) pulses, different spectral reshapings of the XUV transient absorption due to the AC Stark effect are observed. Furthermore, paired with time-dependent Schrödinger equation calculations, the results show the role of selection and propensity rules and open up new opportunities to study coupling pathways of excited states as well as spin-dependent dynamics in atoms and beyond via attosecond optical orientation.

Angular momentum of light↗

NASA NTRS1997

Real Time Quantitative 3-D Imaging of Diffusion Flame Species

A low-gravity environment, in space or ground-based facilities such as drop towers, provides a unique setting for study of combustion mechanisms. Understanding the physical phenomena controlling the ignition and spread of flames in microgravity has importance for space safety as well as better characterization of dynamical and chemical combustion processes which are normally masked by buoyancy and other gravity-related effects. Even the use of so-called 'limiting cases' or the construction of 1-D or 2-D models and experiments fail to make the analysis of combustion simultaneously simple and accurate. Ideally, to bridge the gap between chemistry and fluid mechanics in microgravity combustion, species concentrations and temperature profiles are needed throughout the flame. However, restrictions associated with performing measurements in reduced gravity, especially size and weight considerations, have generally limited microgravity combustion studies to the capture of flame emissions on film or video laser Schlieren imaging and (intrusive) temperature measurements using thermocouples. Given the development of detailed theoretical models, more sophisticated studies are needed to provide the kind of quantitative data necessary to characterize the properties of microgravity combustion processes as well as provide accurate feedback to improve the predictive capabilities of the computational models. While there have been a myriad of fluid mechanical visualization studies in microgravity combustion, little experimental work has been completed to obtain reactant and product concentrations within a microgravity flame. This is largely due to the fact that traditional sampling methods (quenching microprobes using GC and/or mass spec analysis) are too heavy, slow, and cumbersome for microgravity experiments. Non-intrusive optical spectroscopic techniques have - up until now - also required excessively bulky, power hungry equipment. However, with the advent of near-IR diode lasers, the possibility now exists to obtain reactant and product concentrations and temperatures non-intrusively in microgravity combustion studies. Over the past ten years, Southwest Sciences has focused its research on the high sensitivity, quantitative detection of gas phase species using diode lasers. Our research approach combines three innovations in an experimental system resulting in a new capability for nonintrusive measurement of major combustion species. FM spectroscopy or high frequency Wavelength Modulation Spectroscopy (WMS) have recently been applied to sensitive absorption measurements at Southwest Sciences and in other laboratories using GaAlAs or InGaAsP diode lasers in the visible or near-infrared as well as lead-salt lasers in the mid-infrared spectral region. Because these lasers exhibit essentially no source noise at the high detection frequencies employed with this technique, the achievement of sensitivity approaching the detector shot noise limit is possible.

Kane, Daniel J.↗

DOE OSTI2022

Metrics for Intercomparison of Remapping Algorithms (MIRA) protocol applied to Earth system models

Abstract. Strongly coupled nonlinear phenomena such as those described by Earth system models (ESMs) are composed of multiple component models with independent mesh topologies and scalable numerical solvers. A common operation in ESMs is to remap or interpolate component solution fields defined on their computational mesh to another mesh with a different combinatorial structure and decomposition, e.g., from the atmosphere to the ocean, during the temporal integration of the coupled system. Several remapping schemes are currently in use or available for ESMs. However, a unified approach to compare the properties of these different schemes has not been attempted previously. We present a rigorous methodology for the evaluation and intercomparison of remapping methods through an independently implemented suite of metrics that measure the ability of a method to adhere to constraints such as grid independence, monotonicity, global conservation, and local extrema or feature preservation. A comprehensive set of numerical evaluations is conducted based on a progression of scalar fields from idealized and smooth to more general climate data with strong discontinuities and strict bounds. We examine four remapping algorithms with distinct design approaches, namely ESMF Regrid (Hill et al., 2004), TempestRemap (Ullrich and Taylor, 2015), generalized moving least squares (GMLS) (Trask and Kuberry, 2020) with post-processing filters, and WLS-ENOR (Li et al., 2020). By repeated iterative application of the high-order remapping methods to the test fields, we verify the accuracy of each scheme in terms of their observed convergence order for smooth data and determine the bounded error propagation using challenging, realistic field data on both uniform and regionally refined mesh cases. In addition to retaining high-order accuracy under idealized conditions, the methods also demonstrate robust remapping performance when dealing with non-smooth data. There is a failure to maintain monotonicity in the traditional L2-minimization approaches used in ESMF and TempestRemap, in contrast to stable recovery through nonlinear filters used in both meshless GMLS and hybrid mesh-based WLS-ENOR schemes. Local feature preservation analysis indicates that high-order methods perform better than low-order dissipative schemes for all test cases. The behavior of these remappers remains consistent when applied on regionally refined meshes, indicating mesh-invariant implementations. The MIRA intercomparison protocol proposed in this paper and the detailed comparison of the four algorithms demonstrate that the new schemes, namely GMLS and WLS-ENOR, are competitive compared to standard conservative minimization methods requiring computation of mesh intersections. The work presented in this paper provides a foundation that can be extended to include complex field definitions, realistic mesh topologies, and spectral element discretizations, thereby allowing for a more complete analysis of production-ready remapping packages.

58 GEOSCIENCES↗

DOE OSTI2023

A First Principles Approach to Spectral Phonon Transport in Heterostructures

Understanding thermal transport across interfaces which give rise to a thermal resistance (also known as Kapitza resistance) is a critical issue affecting the development of nanotechnologies. Much modern and emergent nanotechnology consist of adjacent materials, and phonon mediated heat transfer governs thermal behavior across internal interfaces in these devices. The physics of thermal transport in solids are governed both by phenomena occurring at the atomic scale and interactions with the material's microstructure. The forecasting of fundamental quantities such as temperature, heat flux and thermal conductivity typically employs the semi-classical Boltzmann transport equation to predict the macroscopic behavior of materials in terms of the microscopic dynamics of its heat carriers. Kapitza resistance was first discovered in liquid helium experiments and has led to a fundamental research thrust in micro and nano-scale heat transport, the behavior of thermal carriers across internal interfaces. Thermal interfacial resistance (TIR) is a widely studied phenomenon, first engaged by Swartz and Pohl through their development of the acoustic and diffuse mismatch methods, then continued through myriad efforts with varying methods and approaches in an attempt to resolve carrier behavior at thermal interfaces. Many of the fundamental approaches to TIR have been at the nanoscale, and research is conducted with molecular dynamics (MD) and density functional theory (DFT) methods. The limitations of these methods is system size; atomistic methods tend to be limited to system sizes of 100,000 atoms or less. Larger length-scale methods have also been pursued, based on the principles of acoustic or diffuse mismatch, but not all include simulation of TIR using a full phonon band spectrum, or temperature dependent methods. Our approach to enabling phonon transport in layered materials draws upon our previous work of demonstrating spectrally coupled phonon transport in homogeneous and heterogeneous materials. We use a semi-analytical approach in which the Bose-Einstein (B-E) statistics set the strength of the phonon radiance in a frequency group, but the B-E statistics are informed with information from the transport system. The B-E statistics in a single frequency group feels the influence of all the groups through the spatial temperature. We also include a new field term which is an indicator of the amount of non-equilibrium behavior of the phonon spectrum---this is added to the phonon source term in all groups to ensure closure and conservation of energy, as the phonon groups in the transport system and the analytical systems are coupled. This work builds upon our previous approach by adding a phonon coupling term at an internal interface, using the principles of the DMM through transmission and reflection coefficients. In this work, the coefficients are determined through computing a common temperature at the interface, influenced by the phonon band structure of both materials, in effect, providing mixing between the two material systems and using the common temperature to set the strength of the phonon radiance at the boundaries on either side of the interface. Our approach uses material properties computed along various crystallographic orientations, and while some isotropy is built into the interface condition, the material properties weight the phonon distributions in the proper crystalline direction. Greater resolution of phonon behavior in proximity to an interface, and more accurate predictions of TIR are obtained. While it is true the assumption of diffuse mismatch can yield inconsistent results compared to experiment especially at low temperatures, this work focuses on room temperature and beyond effects, for future applications in nuclear fuel, or thermoelectric devices; a modified mismatch approach may be feasible if applied properly. Additionally, our methods focus on bridging mesoscale to engineering scale

36 MATERIALS SCIENCE↗

DOE OSTI2026

Spectral deconvolution without the deconvolution: Extracting temperature from x-ray Thomson scattering spectra without the source-and-instrument function

X-ray Thomson scattering (XRTS) probes the dynamic structure factor of the system, but the measured spectrum is broadened by the combined source-and-instrument function (SIF) of the setup. In order to extract properties such as temperature from an XRTS spectrum, the broadening by the SIF needs to be removed. Recent work [Dornheim et al. Nat. Commun. 13 , 7911 (2022)] has suggested that the SIF may be deconvolved using the two-sided Laplace transform. However, the extracted information can depend strongly on the shape of the input SIF, and the SIF is in practice challenging to measure accurately. Here, we propose an alternative approach: we demonstrate that considering ratios of Laplace-transformed XRTS spectra collected at different scattering angles is equivalent to performing the deconvolution, but without the need for explicit knowledge of the SIF. From these ratios, it is possible to directly extract the temperature from the scattering spectra, when the system is in thermal equilibrium. We find the method to be generally robust to spectral noise and physical differences between the spectrometers, and we explore situations in which the method breaks down. Furthermore, the fact that consistent temperatures can be extracted for systems in thermal equilibrium indicates that non-equilibrium effects could be identified by inconsistent temperatures of a few eV between the ratios of three or more scattering angles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2022

Chapter 10 - Remote Sensing Measurements of Aerosol Properties

Satellite instruments have proven especially capable at monitoring the quantity of airborne particles in columns of atmosphere, globally. This chapter describes the principles of satellite measurements and retrieval algorithms, and surveys current instruments and their capabilities. We outline the issues associated with retrieval algorithms, such as surface characterization and aerosol proximity to clouds, and the challenges with interpretation of the results. The relationship between measured aerosol properties and climate-relevant aerosol properties simulated in models is outlined, as well as how measurements are used to evaluate models. Most space-based aerosol instruments are passive sensors that measure reflected sunlight at multiple wavelengths, some at multiple viewing angles. A few are active sensors that send out their own laser light and measure the returned signal. Except when clouds are present, the excess amount of light scattered back to space, beyond that expected from the surface and atmospheric gas, is attributed to aerosol. Satellite measurements are used in many ways in aerosol research. They often provide the only method for monitoring hazardous phenomena such as major wildfire and volcanic eruption plumes, especially in remote areas. Stable, long-term, near-global-scale satellite data records make it possible to identify regional and global aerosol trends. Aerosol radiative effects on climate can be quantified on a near-global scale and used to estimate the strength of aerosol–radiation and aerosol–cloud interactions as well as to evaluate climate model simulations of these interactions. Aerosol-type mapping from satellite imagery is helpful for source attribution, model validation, and to constrain particle light-absorption properties that are essential for radiative forcing calculations. The range of aerosol properties retrieved from satellite observations has grown considerably since the first global estimates of aerosol optical depth (τ a) over ocean were made in the late 1970s. Methods for retrieving particle size and light-absorption properties were explored in the 1990s using multispectral, multi-angle observations, and polarization in visible and near-infrared wavelengths. Sensitivity to particle light absorption, primarily from black or brown carbon content, improved with the inclusion of UV channels, and sensitivity to very thin aerosol layers in the upper troposphere and lower stratosphere was advanced with the use of limb-sounding instruments and active sensors. There are limitations to every measurement technique, including satellite aerosol remote sensing. For wide-swath, passive instruments, aerosol retrievals near clouds can present substantial challenges as far as 15 km away due to cloud-scattered light contaminating the signal. In nearly all cases, retrievals over bright snow and ice surfaces are precluded because surface reflectance uncertainties can overwhelm the aerosol signal. Similarly, meteorological cloud is identified and masked out where possible. Data from passive sensors also lack vertical resolution except those that view toward the limb or where multi-angle imagery is acquired over plumes from wildfires, erupting volcanoes, and wind-blown dust. Yet, passive sensors provide vastly more coverage than the active instruments that mitigate these issues. Particle microphysical information is qualitative from all remote sensing techniques, relying on proxies to infer particle composition, hygroscopicity, and the amount of light-absorbing material. Further, particles smaller than about 200 nm diameter cannot be distinguished from atmospheric gas molecules with remote sensing, which hinders studies of cloud condensation nuclei and their effects on clouds. Most satellite instruments dedicated to aerosol observations are in low-Earth, near-polar, sun-synchronous orbits, which means they cross the equator at the same local time each day. Most are set on cycles that repeat approximately every 16 days, which makes it difficult to monitor aerosol evolution locally. Geostationary satellites make it possible to observe changes occurring from minutes to hours over regions up to 8000 km in size, but lack coverage of high latitudes, and often provide more limited constraints on aerosol properties. Ground-truth data are vital for satellite aerosol-retrieval validation. The AErosol RObotic NETwork (AERONET) of sun photometers was created in 1993 and has become an established global network of over 350 instruments for validating satellite measurements. The network, as well as global networks of ground-based lidars, solar flux radiometers and other sun photometers, are widely used for evaluating global satellite retrievals and model simulations. NASA's Earth Observing System (EOS) program beginning in 1999 led to improvements in reliability, spatial resolution, and spectral resolution (and hence, to improved particle size discrimination and light absorption properties). Satellite payloads include advanced broad-swath and multi-angle imagers, along with the first space-based active sensor focused largely on long-term aerosol monitoring. Since about 2002, Europe's SENTINEL and operational meteorological satellite fleets are also providing sustained aerosol observations, with planned continuation until at least 2030. Satellite remote sensing instruments offer valuable data for evaluating aerosol representations in global climate models. They have been used to assess aerosol optical and physical properties, trends and distributions, and are applied increasingly as direct model constraints in data assimilation to create global aerosol reanalysis products. Aerosol optical depth is the most common quantity adopted for routine model evaluation, including multiwavelength data to loosely constrain particle-size distributions. These evaluations of multiple models have revealed general biases in their regional aerosol amounts and seasonal patterns of transport and removal. Although satellite measurements have near-global coverage, substantial errors can be introduced into the model observation comparison unless attention is paid to spatial and temporal collocation, cloud screening, subgrid-scale variability, and measurement uncertainties that vary with retrieval conditions.

aerosol properties↗

DOE OSTI2025

Spectrally sharp magnetic excitations above the critical temperature in a frustrated Weyl semimetal

The rare-earth α-pyrochlore iridates are a prospective class of conducting frustrated magnets where electronic correlations, large spin-orbit coupling, and geometrical frustration interplay, leading to a rich set of magnetic and electronic phases. Despite their intriguing properties, the magnetic order and excitations in this fundamental class of topological quantum materials remain poorly understood due to challenges in growing large single crystals and insufficient microscopic information on their temperature-dependent phases. Here, by combining state-of-the-art thin-film synthesis, resonant elastic and inelastic X-ray scattering, spin wave analysis, and dynamical spin susceptibility calculations, we unequivocally reveal the presence of spectrally sharp, gapped magnetic excitations in Y 2 Ir 2 O 7 that surprisingly persist well above the Néel transition temperature, signaling the presence of a quasi-universal regime connected to fluctuations on frustrated lattices. This finding implies the existence of a highly unusual cooperative paramagnetic (CP) phase above the ordering temperature and offers an explanation for the puzzling high-temperature magnetic behavior observed across the family of metallic pyrochlore crystals. Understanding such magnetic excitations at technologically relevant temperatures opens up possibilities for novel topological spintronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Cavity electrodynamics of van der Waals heterostructures

Van der Waals heterostructures host many-body quantum phenomena that are tunable in situ using electrostatic gates. Their constituent two-dimensional materials and gates can naturally form plasmonic self-cavities, confining light in standing waves of current density due to finite-size effects. The plasmonic resonances of typical graphite gates fall in the gigahertz to terahertz range, corresponding to the same microelectronvolt to millielectronvolt energy scale as the phenomena in van der Waals heterostructures that they electrically control. This raises the possibility that the built-in cavity modes of graphite gates are relevant for shaping the low-energy physics of these heterostructures. However, probing these cavity-coupled electrodynamics is challenging as devices are notably smaller than the diffraction limit at the relevant wavelengths. Here we report on the intrinsic cavity conductivity of gate-tunable graphene heterostructures. As the carrier density is tuned, we observe coupling and spectral weight transfer between graphene and graphite plasmonic cavity modes in the ultrastrong coupling regime. We present an analytical model to describe the results and provide general principles for cavity design. Our findings show that intrinsic cavity effects are important for understanding the low-energy electrodynamics of van der Waals heterostructures and open a pathway for useful functionality through cavity control.

Electronic properties and materials↗