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At least 1,369 records · Page 76

Single crystal growth and electronic structure of Rh-doped Sr 3 Ir 2 O 7

Ruddlesden-Popper iridate Sr 3 Ir 2 O 7 is a spin–orbit coupled Mott insulator. Hole doped Sr 3 Ir 2 O 7 provides an ideal platform to study the exotic quantum phenomena that occur near the metal–insulator transition (MIT) region. Rh substitution of Ir is an effective method to induce hole doping into Sr 3 Ir 2 O 7 . However, the highest doping level reported in Sr 3 (Ir 1− x Rh x ) 2 O 7 single crystals was only around 3%, which is far from the MIT region. In this paper, we report the successful growth of single crystals of Sr 3 (Ir 1− x Rh x ) 2 O 7 with a doping level of ~ 9%. The samples have been fully characterized, demonstrating the high quality of the single crystals. Transport measurements have been carried out, confirming the tendency of MIT in these samples. The electronic structure has also been examined by angle-resolved photoemission spectroscopy (ARPES) measurements. Our results establish a platform to investigate the heavily hole doped Sr 3 Ir 2 O 7 compound, which also provide new insights into the MIT with hole doping in this material system.

Physics↗

Realignment and suppression of charge density waves in the rare-earth tritellurides 𝑅⁢Te 3 (𝑅 = La, Gd, Er)

The rare-earth tritellurides have a rich phase diagram that includes charge density waves (CDWs), superconductivity, and magnetic order, offering a platform to study the interplay between these phases on a square-net system. Prior studies have shown that defects can affect the CDW characteristics in these materials, yet coupling between the CDW order and the underlying microstructure has not been studied at the nanoscale. Here we use scanning transmission electron microscopy at cryogenic temperatures to directly visualize the effects of defects on the CDW order and provide a spatially resolved microscopic correlation between the CDW transition and structural defects. Here, we show that in the presence of extended defects, such as dislocations and stacking faults, the weak orthorhombicity of the rare-earth tritellurides is lost and the material becomes pseudotetragonal. Since the orthorhombicity acts as a symmetry breaking field for the CDW transitions in rare-earth tritellurides, the presence of these extended defects modulates the energetics of the CDWs and suppresses the ground-state CDW phase at low temperature.

Charge density waves↗

Integrated photonics on thin-film lithium niobate

Lithium niobate (LN), an outstanding and versatile material, has influenced our daily life for decades—from enabling high-speed optical communications that form the backbone of the Internet to realizing radio-frequency filtering used in our cell phones. This half-century-old material is currently embracing a revolution in thin-film LN integrated photonics. The successes of manufacturing wafer-scale, high-quality thin films of LN-on-insulator (LNOI) and breakthroughs in nanofabrication techniques have made high-performance integrated nanophotonic components possible. With rapid development in the past few years, some of these thin-film LN devices, such as optical modulators and nonlinear wavelength converters, have already outperformed their legacy counterparts realized in bulk LN crystals. Furthermore, the nanophotonic integration has enabled ultra-low-loss resonators in LN, which has unlocked many novel applications such as optical frequency combs and quantum transducers. In this review, we cover—from basic principles to the state of the art—the diverse aspects of integrated thin-film LN photonics, including the materials, basic passive components, and various active devices based on electro-optics, all-optical nonlinearities, and acousto-optics. We also identify challenges that this platform is currently facing and point out future opportunities. The field of integrated LNOI photonics is advancing rapidly and poised to make critical impacts on a broad range of applications in communication, signal processing, and quantum information.

Zhu, Di (ORCID:0000000302101860)↗

A heterogeneously integrated silicon photonic/lithium niobate travelling wave electro-optic modulator

Silicon photonics is a platform that enables densely integrated photonic components and systems and integration with electronic circuits. Depletion mode modulators designed on this platform suffer from a fundamental frequency response limit due to the mobility of carriers in silicon. Lithium niobate-based modulators have demonstrated high performance, but the material is difficult to process and cannot be easily integrated with other photonic components and electronics. In this manuscript, we simultaneously take advantage of the benefits of silicon photonics and the Pockels effect in lithium niobate by heterogeneously integrating silicon photonic-integrated circuits with thin-film lithium niobate samples. We demonstrate the most CMOS-compatible thin-film lithium niobate modulator to date, which has electro-optic 3 dB bandwidths of 30.6 GHz and half-wave voltages of 6.7 V×cm. These modulators are fabricated entirely in CMOS facilities, with the exception of the bonding of a thin-film lithium niobate sample post fabrication, and require no etching of lithium niobate.

42 ENGINEERING↗

Assessment of Flow-Enhanced Electrochemical Sensor Testing and Deployments

The goal of our activities in FY24 was to enable advanced materials accountancy for molten salt reactors (MSRs) through the development and optimization of robust flow-enhanced electrochemical sensors (FEES) using a safeguards-focused sensor testing platform called the modular flow instrumentation testbed (MFIT). Flow-enhanced electrochemical sensors are a type of electroanalytical sensor that have been developed at Argonne National Laboratory to be installed directly into MSR flow conduits to make measurements of the salt composition. These sensors represent a significant improvement in capabilities compared to earlier electroanalytical sensors that instead can only be operated in quiescent conditions. Previous work has focused on testing of the FEES in flowing conditions provided by the MFIT to assess the accuracy and precision of the sensor measurements. This year, the FEES technical readiness was increased by (1) demonstrating the use of optimized sensor techniques to achieve measurements in very high-concentration MSR-relevant salts, (2) leveraging new multimodal sensors and automation approaches to reduce measurement uncertainties, and (3) fabricating and deploying sensors to industrial partners to improve their ability to make measurements in challenging environments. Additionally, we also ran the sensors during complex system operations involving combined flow and purification activities to demonstrate safeguards-relevant measurements during online processing for MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Sustainable Valorization of CO2 through Nuclear Power-to-X Pathways

Some of the issues concerning energy security and climate change can be addressed by employing nuclear power (NP) to supply the energy required for the conversion of carbon dioxide (CO2) into chemicals, products, and materials. Nuclear energy represents a neutral carbon source that can be generated sustainably, reliably, and consistently. Nuclear power plants (NPPs) could supply energy in the form of heat, electricity, and ionizing radiation to drive CO2 chemical reactions underpinning NP-to-X type of pathways. CO2 conversion processes are either commercially available or emerging technologies at different developmental maturity stages. This work reviews the published literature (articles and patents) that reports R&D results and the understanding and development of chemical reactions and processes, as well as the efforts in integrating NPPs and chemical processes (CPs). As will be made evident, a new industrial era for the manufacturing of decarbonized chemicals, products, and materials will be possible by developing and implementing new (more energy- and carbon-efficient) processes responding to the NP-to-X pathways. This new decarbonizing platform not only contributes to achieving net zero goals but also broadens the NPP product beyond electricity.

08 HYDROGEN↗

Ceramic component processing development for advanced gas-turbine engines

A review of ceramic component advancements directed at developing manufacturing technologies for rotors, stators, vane-seat platforms and scrolls is presented. The first three components are being produced from HIPed Si3N4, while scrolls were prepared from a series of siliconized silicon-carbide materials. Developmental work has been conducted on all aspects of the fabrication process utilizing Taguchi experimental design methods. An assessment of material properties for various components from each process and material are made.

Mcentire, B. J.↗

Autonomy and the human element in space

NASA is contemplating the next logical step in the U.S. space program - the permanent presence of humans in space. As currently envisioned, the initial system, planned for the early 1990's, will consist of manned and unmanned platforms situated primarily in low Earth orbit. The manned component will most likely be inhabited by 6-8 crew members performing a variety of tasks such as materials processing, satellite servicing, and life science experiments. The station thus has utility in scientific and commercial enterprises, in national security, and in the development of advanced space technology. The technical foundations for this next step have been firmly established as a result of unmanned spacecraft missions to other planets, the Apollo program, and Skylab. With the shuttle, NASA inaugurates a new era of frequent flights and more routine space operations supporting a larger variety of missions. A permanently manned space system will enable NASA to expand the scope of its activities still further. Since NASA' s inception there has been an intense debate over the relative merits of manned and unmanned space systems. Despite the generally higher costs associated with manned components, astronauts have accomplished numerous essential, complex tasks in space. The unique human talent to evaluate and respond inventively to unanticipated events has been crucial in many missions, and the presence of crews has helped arouse and sustain public interest in the space program. On the other hand, the hostile orbital environment affects astronaut physiology and productivity, is dangerous, and mandates extensive support systems. Safety and cost factors require the entire station complex, both space and ground components, to be highly automated to free people from mundane operational chores. Recent advances in computer technology, artificial intelligence (AI), and robotics have the potential to greatly extend space station operations, offering lower costs and superior productivity. Extended operations can in turn enhance critical technologies and contribute to the competitive economic abilities of the United States. A high degree of automation and autonomy may be required to reduce dependence on ground systems, reduce mission costs, diminish complexity as perceived by the crew, increase mission lifetime and expand mission versatility. However, technologies dealing with heavily automated, long duration habitable spacecraft have not yet been thoroughly investigated by NASA. A highly automated station must amalgamate the diverse capabilities of people, machines, and computers to yield an efficient system which capitalizes on unique human characteristics. The station also must have an initial design which allows evolution to a larger and more sophisticated space presence. In the early years it is likely that AI-based subsystems will be used primarily in an advisory or planning capacity. As human confidence in automated systems grows and as technology advances, machines will take on more critical and interdependent roles. The question is whether, and how much, system autonomy will lead to improved station effectiveness.

Source record↗

A Surface Science Paradigm for a Post-Huygens Titan Mission

With the Cassini-Huygens atmospheric probe drop-off mission fast approaching, it is essential that scientists and engineers start scoping potential follow-on surface science missions. This paper provides a summary of the first year of a two year design study which examines in detail the desired surface science measurements and resolution, potential instrument suite, and complete payload delivery system. Also provided are design concepts for both an aerial inflatable mobility platform and deployable instrument sonde. The tethered deployable sonde provides the capability to sample near surface atmosphere, sub-surface liquid (if it exists), and surface solid material. Actual laboratory tests of the amphibious sonde prototype are also presented.

Zimmerman, Wayne F.↗

NASA's New High Intensity Solar Environment Test Capability

Across the world, new spaceflight missions are being designed and executed that will place spacecraft and instruments into challenging environments throughout the solar system. To aid in the successful completion of these new missions, NASA has developed a new flexible space environment test platform. The High Intensity Solar Environment Test (HISET) capability located at NASA fs Marshall Space Flight Center provides scientists and engineers with the means to test spacecraft materials and systems in a wide range of solar wind and solar photon environments. Featuring a solar simulator capable of delivering approximately 1 MW/m2 of broad spectrum radiation at maximum power, HISET provides a means to test systems or components that could explore the solar corona. The solar simulator consists of three high-power Xenon arc lamps that can be operated independently over a range of power to meet test requirements; i.e., the lamp power can be greatly reduced to simulate the solar intensity at several AU. Integral to the HISET capability are charged particle sources that can provide a solar wind (electron and proton) environment. Used individually or in combination, the charged particle sources can provide fluxes ranging from a few nA/cm2 to 100s of nA/cm2 over an energy range of 50 eV to 100 keV for electrons and 100 eV to 30 keV for protons. Anchored by a high vacuum facility equipped with a liquid nitrogen cold shroud for radiative cooling scenarios, HISET is able to accommodate samples as large as 1 meter in diameter. In this poster, details of the HISET capability will be presented, including the wide ]ranging configurability of the system.

Schneider, Todd A.↗

Development and Qualification of the Primary Structure of the Orion European Service Module

This paper presents an overview of the development and qualification test campaign for the primary structure of the European Service Module of ORION, the NASA spacecraft which will serve the future human exploration missions to the Moon, Mars and beyond. Under an agreement between NASA and ESA, the ORION will be powered by a European Service Module (ESM), providing also water and oxygen for astronauts' life sustainability. The development and qualification of the European Service Module (ESM) is under ESA responsibility with Airbus Defense and Space as the prime contractor. Thales Alenia Space Italia is responsible for design development, manufacturing, assembly and qualification of the Structure subsystem. The European Service Module, installed onto the launch adapter, shall support the crew module with its adapter and a launch abort system. It shall sustain: - A combination of global and local launch loads during lift off and ascent phases, - On orbit loads induced by engine firing for orbital transfers and attitude control. The ESM structure is based on a core made of Composite Fiber Reinforced Polymer (CFRP) sandwich panels complemented by aluminum alloy platforms, longerons and secondary structures. A development campaign has been implemented in order to define and validate composite parts' strength allowable values for design: coupon tests at material level, test at component level up to breadboards tests performed on main structural components (composite to metallic joints, and at panels' discontinuities). An incremental approach as defined in [1] has been followed. A qualification static test campaign at primary structure assembly level has been implemented in order to validate the design against static stiffness and ultimate strength as well as to correlate the structural Finite Element Model (FEM) used for sizing and confirm the margins of safety. The tests have been performed successfully by Thales Alenia Space Italia (TAS-I) on two flight representative structural models (STA1, STA2), in Turin facilities (Italy) between August 2015 and March 2017, with engineering support of technical representatives from Airbus, ESA, NASA and LMCO. The main development and qualification test activities and associated results are presented and discussed in the paper

Structural Testing↗

Hybrid SERS platform by adapting both chemical mechanism and electromagnetic mechanism enhancements: SERS of 4-ATP and CV by the mixture with GQDs on hybrid PdAg NPs

Surface-enhanced Raman spectroscopy (SERS) is a versatile analytical technique widely adapted for the identification of target analytes even at an extremely low concentration. Herein, a unique hybrid SERS platform is demonstrated by utilizing the graphene quantum dots (GQDs) and hybrid PdAg NPs for the detection of 4-amino-thiophenol (4-ATP) and crystal violet (CV). GQDs offer the rich charge transfer to the LUMO and HOMO of 4-ATP and CV by the CM enhancement. A significant EM enhancement is achieved by the strong localized surface plasmon resonance (LSPR) of uniquely designed hybrid core-shell PdAg NP, possessing the narrow nano-gaps with the highly dense small Ag NPs and Pd core Ag shell configuration. As a result, orders of enhancement of originally weak 4-ATP and CV Raman signal is witnessed by the combination of electromagnetic mechanism (EM) and chemical mechanism (CM) enhancements on a single SERS substrate. The hybrid GQD/HNP SERS substrate demonstrates significantly improved hot spots and strongly localized electromagnetic fields as confirmed by the finite-difference time-domain (FDTD) simulations. There for a proper mixture ratio of GQDs and probe molecules presents largely enhanced SERS signals by a strong adsorption of probe molecules through π - π interaction and the enhancement factors vary by the mixture ratio depending on the adsorption kinetics and Raman cross-section of molecules.

36 MATERIALS SCIENCE↗

Tailoring solid-electrolyte interphase and solvation structure for subzero temperature, fast-charging, and long-cycle-life sodium-ion batteries

The sluggish Na + reaction kinetics with carbon materials limits the fast-charging capability, Coulombic efficiency, and cycle life of sodium-ion batteries, especially at low temperatures. Herein, free-standing carbon nanofiber films, with controllable crystallinity and surface chemistry, are used as a platform to investigate the correlation between Na + reaction kinetics, storage mechanism, and electrolyte environment. The ion solvation effect and solid-electrolyte interphase (SEI) properties determine the kinetics and storage mechanism. A strong Na + -solvent interaction, such as Na + -diglyme, tends to form a "pseudo-SEI" layer dominated by anion decomposition, enabling fast Na + -solvent co-intercalation kinetics. Tuning the SEI chemistries by pre-cycling in the weakly solvated electrolyte (e.g., ester electrolyte), the intercalation capacity rapidly disappears due to the high energy barrier for Na + transport. Finally, such mechanistic insights allow us to develop the optimal combination of electrode materials and electrolyte chemistry to achieve high initial Coulombic efficiency, ultra-long cycle life under fast charging, and excellent low-temperature performance.

25 ENERGY STORAGE↗

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

Introduction The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗

“Antenna-like” Light-Harvesting in Partially Metalated Porphyrin Hydrogen-Bonded Organic Frameworks

Arrays of light harvesting molecules with long-range order hold promise as materials capable of efficient collection of photons as well as rapid transport of captured solar energy to chemical catalysts. Hydrogen-bonded organic frameworks (HOFs) could be promising artificial light-harvesting platforms, due to their crystalline nature and their comparative ease of synthesis. In this work, mixed-linkers of either zinc-metallated or free base tetrakis(4-carboxyphenyl)porphyrin HOFs were examined and found to demonstrate ‘antenna-like’ light harvesting behavior. Using time-resolved emission spectroscopy, Förster resonance energy transfer from zinc porphyrin to free-base porphyrin was assessed. Based on changes in the emission peak profile as the ratio of zinc porphyrin to free-base porphyrin is varied, we find that, in the limit of 100% zinc porphyrin, a photogenerated exciton can sample ~48 chromophores. These findings suggest that stacked linkers within HOFs can act as light harvesting ‘antennae’ and with encapsulation of suitable catalysts, may offer prospective application as photochemical energy conversion systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis and application of thermally responsive nanofiber coatings for overtemperature monitoring

This study presents a one-pot synthesis route to organometallic nanofibers based on copper thiolate, exhibiting distinctive chemical and physical characteristics. Electron microscopy analysis of morphology and composition revealed 2-10 μm-long, 50-90 nm-diameter hollow and non-hollow fibers composed of copper, sulfur, oxygen, hydrocarbon, and chlorine. Thermogravimetric analysis showed a pronounced mass loss within 120°C-135°C. To elucidate the thermal responsive pathways, the nanofibers were characterized before and after heating. X-ray photoelectron spectroscopy indicates that an initially mixed Cu(I)/Cu(II) oxidation states transition to predominantly Cu(I) upon heating. A layer of nanofiber was coated on battery pouch foil and evaluated as a candidate thermally sensitive coating. At elevated temperature (100-130°C), nanofiber coating released volatile organic compounds, sulfide and sulfur dioxide as detected using multiple gas sensors. This thermally responsive gas release/sensing approach provides a potential large-area temperature monitoring strategy, which is particularly relevant where direct temperature measurements of individual batteries is impractical. The results established proof of concept for nanofiber-coated battery pouch foil as overtemperature warning platform that can provide alerts when surface temperatures exceed a critical threshold. More broadly, the ability to form interconnected fiber networks positions copper thiolate nanofiber coatings as promising materials for advanced applications.

Ihala Gamaralalage, Chanaka [ORNL] (ORCID:00000002↗

High-Entropy Perovskite Fluorides: A New Platform for Oxygen Evolution Catalysis

High-entropy perovskite fluorides (HEPFs) have great potential in electrocatalysis that has not been realized because of the limitation of a high-temperature synthetic route and the limited understanding of high-entropy materials. The use of HEPFs in effective oxygen evolution catalysis and a feasible synthesis route for HEPFs in a boiled solution by combining a hydrothermal method with mechanochemistry are first reported here. These HEPFs consisting of cost-effective elements dramatically gave excellent catalytic activity for the oxygen evolution reaction in an alkaline media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗