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At least 289 records · Page 16

Tunable chiral and nematic states in the triple-Q antiferromagnet Co 1/3 TaS 2

Complex spin configurations in magnetic materials, ranging from collinear single-Q to non-coplanar multi-Q states, exhibit rich symmetry and chiral properties. However, their detailed characterization is often hindered by the limited spatial resolution of neutron diffraction techniques. Here we employ magnetic circular dichroism and magnetic linear dichroism to investigate the triangular lattice antiferromagnet Co 1/3 TaS 2 , revealing three-state (Z 3 ) nematicity and also spin chirality across its multi-Q magnetic phases. At intermediate temperatures, the presence of linear dichroism identifies nematicity arising from a single-Q stripe phase, while at high magnetic fields and low temperatures, a phase characterized solely by circular dichroism emerges, signifying a purely chiral non-coplanar triple-Q state. Notably, at low temperatures and small fields, we discover a unique phase where both chirality and nematicity coexist. A theoretical analysis based on a continuous multi-Q manifold captures the emergence of these distinct magnetic phases, as a result of the interplay between four-spin interactions and weak magnetic anisotropy. Additionally, both circular and linear dichroism microscopy spatially resolves the chiral and nematic domains. Our findings establish Co 1/3 TaS 2 as a rare platform hosting diverse multi-Q states with distinct combinations of spin chirality and nematicity while demonstrating the effectiveness of polarized optical techniques in characterizing complex magnetic textures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Development of Windowless Optical Cell for In-Situ Molten Salt Characterization (Final CRADA Report)

This document serves as a summary report for the work conducted under CRADA 2021-21064 between Argonne National Laboratory and Xerion Advanced Battery Corp. As part of this project, Argonne and Xerion worked to develop a high-temperature version of the on-line optical analysis loop and evaluated its ability to facilitate Raman spectroscopy measurements on flowing molten salts relevant to Xerion’s process flowsheets. The main goals were to (1) achieve a geometrically smooth and stable meniscus at the molten salt and atmosphere interface by creating a slightly negative pressure in the flow channel at the aperture, (2) acquire Raman spectra of molten salt flowing across the aperture while maintaining consistent focus and protecting the optics from heat damage and direct contact with the molten salts, and (3) determine the impact of molten salt wicking and creep on the spectroscopy.

25 ENERGY STORAGE↗

Compact instantaneous phase-shifting Sagnac interferometer for nanoscale tilt measurement

There is a large inter disciplinary need for high precision angular sensors in state-of-the-art technologies. This particularly applies to optical metrology in the field of Extreme Ultraviolet (EUV) or X-ray where the optics are commonly characterized in terms of slope errors at a nanoradian scale level. Here, in this paper, we present the in-lab development of an angular sensor based on a single reflection compact Sagnac interferometer using instantaneous phase shifting. Our automated prototype and first results show less than 15 nrad RMS repeatability, at least 200 nrad sensitivity and 280 nrad reproducibility over 100 μrad angular range.

36 MATERIALS SCIENCE↗

Metrology and Standards Gaps and FY27 Work Focusing on Impact

This work focuses on the Heliostat Consortium (HelioCon) optical measurements and characterization, testing and modeling capabilities and infrastructure at NLR and Sandia supporting heliostat technology research, development, validation, and deployment in relevant industries. The development of standards in HelioCon requires a collective effort across the global heliostat community of industry, researchers, academia and other stakeholders.

14 SOLAR ENERGY↗

An obscured quasar census with the 4MOST IR AGN survey: design, predicted properties, and scientific goals

ABSTRACT We present the 4MOST (4-metre Multi-Object Spectroscopic Telescope) infrared (IR) AGN survey, the first large-scale optical spectroscopic survey characterizing mid-infrared (MIR) selected obscured active galactic nuclei (AGNs). The survey targets $\approx 212\,000$ obscured IR AGN candidates over $\approx 10\,000 \rm \: deg^2$ down to a magnitude limit of $r_{\rm AB}=22.8 \, \rm mag$ and will be $\approx 100 \times$ larger than any existing obscured IR AGN spectroscopic sample. We select the targets using an MIR colour criterion applied to the unWISE catalogue from the WISE (Wide-field Infrared Survey Explorer) all-sky survey, and then apply a $r-W2\ge 5.9 \rm \: mag$ cut; we demonstrate that this selection will mostly identify sources obscured by $N_{\rm H}>10^{22} \rm \: cm^{-2}$. The survey complements the 4MOST X-ray survey, which will follow up $\sim 1\,\rm M$ eROSITA (extended ROentgen Survey with an Imaging Telescope Array)-selected (typically unobscured) AGN. We perform simulations to predict the quality of the spectra that we will obtain and validate our MIR–optical colour-selection method using X-ray spectral constraints and UV-to-far-IR spectral energy distribution (SED) modelling in four well-observed deep-sky fields. We find that: (1) $\approx 80-87{{\ \rm per\ cent}}$ of the WISE-selected targets are AGN down to $r_{\rm AB}=22.1-22.8 \: \rm mag$ of which $\approx 70{{\ \rm per\ cent}}$ are obscured by $N_{\rm H}>10^{22} \: \rm cm^{-2}$, and (2) $\approx 80{{\ \rm per\ cent}}$ of the 4MOST IR AGN sample will remain undetected by the deepest eROSITA observations due to extreme absorption. Our SED-fitting results show that the 4MOST IR AGN survey will primarily identify obscured AGN and quasars ($\approx 55{{\ \rm per\ cent}}$ of the sample is expected to have $L_{\rm AGN,IR}>10^{45} \rm \: erg \: s^{-1}$) residing in massive galaxies ($M_{\star }\approx 10^{10}-10^{12} \rm \: M_{\odot }$) at $z\approx 0.5-3.5$ with $\approx 33{{\ \rm per\ cent}}$ expected to be hosted by starburst galaxies.

Andonie, Carolina (ORCID:0000000255804298)↗

Boron carbide amorphous solid with tunable band gap

Boron carbide B x C (x = 1/6 – 10) powders were synthesized through a microwave-assisted carbothermic reduction reaction as a potential clean energy material. Their crystallographic structures and optical properties were characterized. X-ray diffraction and electron diffraction indicated that the synthesized B x C powders were amorphous. Electron energy-loss spectroscopy demonstrated that the composition of boron and carbon was in amorphous materials, and their chemical bonding were disclosed from Raman scattering spectroscopy. Here, UV-vis absorption spectroscopy indicated that the bandgap of the bulks varied from 2.30 eV to 3.90 eV, tuned by the boron/carbon element ratio.

36 MATERIALS SCIENCE↗

Understanding the Hydronium Cation in the Solid State: A Study in Synthetic Hydronium Uranyl Phosphate and Arsenate Mineral Systems and Their Irradiation Stability

Here, we present neutron diffraction, electronic structure calculations, and optical vibrational spectroscopic characterization of hydronium uranyl phosphate (HUP), the synthetic analog of chernikovite ((H 3 O)(UO 2 )(PO 4 )·3H 2 O) to gain insight into structural features of the hydronium cation in the solid state. HUP crystallizes in P2 1 /c instead of previously reported P4/ncc 1 at room temperature and Pccn below 302 K. Lower symmetry was required due to hydronium and interstitial water positions within the structure. Crystallographic positions of hydronium cations determined from powder neutron diffraction data are bolstered by Raman and attenuated total reflectance infrared spectroscopic measurements and are further informed by density functional theory with phonon eigenvector analysis for spectral assignments. Finally, HUP and its arsenate analog (trogerite, (H 3 O)(UO 2 )(AsO 4 )·3H 2 O), (HUAs) were studied using He 2+ irradiation as an analog for α radiolysis to investigate the irradiation stability of these phases and the stability of hydronium cations in the solid state. Dose studies were employed wherein each sample was irradiated to 5, 10, 15, 25, and 50 MGy. Structural insight regarding irradiated materials is gained using optical vibrational spectroscopy and powder X-ray diffraction. Surprising irradiation stability of HUAs was found up to 50 MGy of dose, which may have important implications for understanding and modeling the geologic stability of legacy U.

actinides↗

Enhancement of second-order optical nonlinearities and nanoscale periodic domain patterning in ferroelectric boron-substituted aluminum nitride thin films

The discovery and development of CMOS-compatible, nonlinear optical materials is essential to produce integrated photonic devices with advanced functionalities. AlN is a strong candidate for on-chip device demonstration due to its intrinsic second-order optical nonlinearities, large bandgap, and well-established fabrication techniques. However, AlN is not easily phase matched for the largest coefficient d 33 ; the coefficients that could potentially be dispersion phase-matched, d 31 and d 15 , have weak nonlinearities. This work investigates ferroelectric Al 1-x B x N (x = 0 to 0.11) for viability as a large bandgap nonlinear optical material with unique suitability towards ultraviolet light generation using second harmonic generation. The linear and nonlinear optical properties are characterized accounting for material anisotropy. With increasing B concentration, a large enhancement from near negligible values to d 31 = 0.9 ± 0.1 pm/V and d 15 = 1.2 ± 0.1 pm/V is observed. This compares favorably to other large bandgap materials like β-Ba(BO 2 ) 2 , where the largest nonlinear coefficient is d 22 ~ 2.3 pm/V at 800 nm. This is accompanied by a change in the bandgap from 6.1 eV to 5.8 eV as B substitution goes from 0 to 11%. A periodically poled, quasi-phase-matched ferroelectric domain pattern with 400 nm domain size and a wall roughness of <16 nm is demonstrated.

36 MATERIALS SCIENCE↗

Polarimetry-Enhanced Imaging towards Autonomous Solar Field and Receiver Inspections

During the typical operation of a Concentrating Solar Power (CSP) plant, a large portion of the energy (~45%) can be lost due to various imperfect conditions, such as blocking, shading, mirror soiling, tracking and canting errors, etc. It is necessary to develop efficient and effective field inspection technology to optically survey and characterize a CSP field, which can be used as an input for autonomous control, maintenance scheduling and spot repair whenever necessary to maximize the overall efficiency of the plant. In this project, We aim to apply polarimetric imaging for CSP collector and receiver inspection and develop polarimetric drone cameras (via integrating polarimetric imagers onto drones) for autonomous field inspection in CSP plants.

14 SOLAR ENERGY↗

Direct Evidence of Graphene-Induced Molecular Reorientation in Polymer Films

For the first time, direct evidence of graphene-induced molecular reorientation in polymer films using polarization modulated infrared reflection absorption spectroscopy (PMIRRAS) are presented. By creating favorable electrostatic interactions, graphene-polymer interfaces can be controlled by varying polymer and solvent composition. After trans of unmodified graphene from copper onto a polymer substrate, polymer chain rearrangement relative to the orientation at the polymer-copper interface is observed using PM-IRRAS. Transfer success is characterized using both optical transmission measurements and Raman spectroscopy to quantify the transfer fidelity, i.e. graphene coverage fraction. Taken together, oxygencontaining poly(ethylene-co-vinyl acetate) shows more polymer chain rearrangement and better graphene coverage compared to oxygen-free polyethylene. Polymer composition seems to dominate graphene-polymer interactions while solvent choice has a smaller effect on transfer quality. These results are the first direct measurement of this effect and point towards the possibility of engineering graphene-polymer interactions for specific applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

One‐Step Thermal Gradient‐ and Antisolvent‐Free Crystallization of All‐Inorganic Perovskites for Highly Efficient and Thermally Stable Solar Cells

Abstract All‐inorganic perovskites have emerged as promising photovoltaic materials due to their superior thermal stability compared to their heat‐sensitive hybrid organic–inorganic counterparts. In particular, CsPbI 2 Br shows the highest potential for developing thermally‐stable perovskite solar cells (PSCs) among all‐inorganic compositions. However, controlling the crystallinity and morphology of all‐inorganic compositions is a significant challenge. Here, a simple, thermal gradient‐ and antisolvent‐free method is reported to control the crystallization of CsPbI 2 Br films. Optical in situ characterization is used to investigate the dynamic film formation during spin‐coating and annealing to understand and optimize the evolving film properties. This leads to high‐quality perovskite films with micrometer‐scale grain sizes with a noteworthy performance of 17% (≈16% stabilized), fill factor (FF) of 80.5%, and open‐circuit voltage ( V OC ) of 1.27 V. Moreover, excellent phase and thermal stability are demonstrated even after extreme thermal stressing at 300 °C.

36 MATERIALS SCIENCE↗

AI‐Driven Robot Enables Synthesis‐Property Relation Prediction for Metal Halide Perovskites in Humid Atmosphere

Materials Acceleration Platforms (MAPs) – also known as self-driving laboratories– present a new paradigm for materials science and promise an order of magnitude accelerated materials discovery compared to the traditional trial-and-error approach. Metal halide perovskites (MHPs) are an emerging class of materials for optoelectronic applications but are plagued by irreproducible optoelectronic quality, particularly for films fabricated in a humid atmosphere. Here, in this work, a machine learning (ML)-guided closed-loop platform is developed with a multimodal data fusion approach to predict synthesis–property relations for the optical quality of MHP thin films in relative humidities (RHs) ranging from 5–55%. The efficiency of this approach is confirmed by the fast-dropping learning rate to 2% after experimentally sampling less than 1% of the possible 5,000+ combinations. The prediction of synthesis–property relations is done by optical and imaging characterizations. In situ photoluminescence characterization revealed the origin of thin film quality variation at different RH. These insights provide an avenue for controlling the MHP crystallization by fine-tuning the synthesis parameters and RH for a given chemistry, thus lifting the need for stringent atmosphere control. The MAP enables an accelerated screening and understanding of the synthesis design space, facilitating rational synthesis recipe choice for a wide range of materials.

AI-driven robot↗

Determining the oxidation behavior of matrix graphite

This work presents the oxidation behavior of matrix graphite in air. Matrix graphite, graphite powder/flakes bonded by a small amount of non-graphitic carbon, surrounds coated fuel particles in order to form cylindrical fuel compacts (in prismatic core designs) or spheres (in pebble-bed reactor designs). This work focuses on oxidation tests conducted on two matrix graphite materials, one provided by Kairos Power and the other A3 matrix graphite. Some of the tests followed American Society for Testing and Materials (ASTM) oxidation testing standards using a vertical furnace system and others were performed in a thermogravimetric analyzer (TGA). It was determined that, at temperatures of 450 °C–700 °C, the oxidation rate of the Kairos matrix graphite follows the Arrhenius equation. In comparison with A3 matrix graphite, the Kairos matrix graphite shows better oxidation resistance at high temperatures (≥550 °C), but also a higher oxidation rate at low temperatures. Both the A3 matrix graphite and the Kairos matrix graphite materials may experience preferential oxidation of the partially graphitized binder. An oxygen penetration gradient was also observed when using the three characterization methods (i.e., optical microscope, x-ray tomography [XCT], and density profile by the lathe) enlisted in this research. In conclusion, the oxygen penetration depth increases with decreasing isothermal oxidation temperature, while the center of the oxidized samples (10% weight loss) remains almost untouched even at 500 °C.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Quantitative measurement of pebble fuel anisotropy using generalized ellipsometry

The renewed development of high-temperature gas-cooled reactors has created a need to modernize pebble fuel quality control methods. One important specification in these methods is the coefficient of thermal expansion (CTE) anisotropy, which reflects graphite grain alignment and affects fuel performance. This study investigates the feasibility of using two-modulator generalized ellipsometry microscopy (2-MGEM) as a potential surrogate metric for CTE anisotropy. Graphite matrix compacts with controlled levels of anisotropy were fabricated by varying pre-pressures during forming and were subsequently characterized using both optical dilatometry and 2-MGEM. Measured responses were compared to an isotropic reference pebble produced using an industrial manufacturing process to provide a practical baseline. The resulting measurements revealed a strong quantitative correlation between the CTE anisotropy ratio and the corresponding diattenuation ratio. However, propagated measurement uncertainties in the optical method were found to limit definitive pass/fail discrimination, highlighting the need for improved precision before qualification as a quality control tool. Still, the results establish a quantitative relationship between optical and CTE anisotropy and support further development of 2-MGEM as a potential surrogate method for evaluating graphite matrix anisotropy in pebble fuel manufacturing.

Raftery, Alicia [ORNL] (ORCID:0000000259076427)↗

Simulation study for particle identification with the dRICH of the ePIC experiment at the EIC

The dual-radiator Imaging Cherenkov detector (dRICH), employing an aerogel and a gas radiator, is a key component of the forward particle identification system for the ePIC experiment at the Electron-Ion Collider (EIC). This study evaluates the dRICH performance using Geant4 simulations in the context of the global ePIC simulation stack, focusing on the optimization of the aerogel radiator and the impact of sensor noise. We compare two aerogel configurations: the initial design (n = 1.019) and the current default (n = 1.026). The latter, characterized by improved optical properties and a higher refractive index, demonstrates enhanced π/K separation at high momenta, effectively extending the operational overlap with the C 2 F 6 gas radiator (n = 1.00076 at 25 °C, as implemented in the simulation software). Additionally, the study investigates the impact of Silicon Photomultiplier (SiPM) dark noise, showing that a 300 kHz noise rate per 3mm x 3mm channel leads to a moderate reduction (approximately 1.5 GeV/c) in the 3σ separation threshold. These results validate the current dRICH design and quantify the purity levels achievable for both radiators under expected experimental conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Impact of Transition Metal Doping on the Structural and Optical Properties of Halide Perovskites

Metal ion doping into halide perovskite materials is a promising approach to enhance long-term film stability and improve solar cell performance. Moreover, the idea of doping metals into halide perovskites is also driven by applications in heterogeneous catalysis. Here, we investigate the incorporation of the transition metals Pt and Pd into mixed-halide perovskite materials. We find that Pt aggregates in large clusters in iodine- and bromine-rich perovskite film compositions, whereas Pd incorporation depends on the underlying bromine to iodine ratio. Furthermore, by using optical and structural characterization methods, we observe that phase segregation in the perovskite layer is suppressed upon doping of either of these metals into the material. This approach further shows the potential to obtain catalytically active halide perovskite films in which the perovskite can serve as a host matrix.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗