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1,745 records · Page 78

Reducing experimental uncertainty in the calculation of cavity swelling in a transmission electron microscope through crystallographically aided void volume tracking

Accurate measurement of cavity swelling in a transmission electron microscope is essential to define material performance under irradiation, and the conventionally applied spherical assumption for the calculation of cavity volumes in irradiated materials can result in errors ranging between a 25% underestimation and 72% overestimation of volume purely based on the assumption of shape. This assumption is undeniably expedient for calculation but does not sufficiently account for the 3D nature of polyhedral cavities and their shape projection in the transmission electron microscope, and therefore presents too large of an associated uncertainty in swelling determination for faceted cavities. This uncertainty has been defined for many common cavity shapes in FCC and BCC crystal systems, and has been tabulated across the cubic fundamental region. A revised methodology for crystallographically aided void volume tracking, or CAVV-T, is presented and demonstrated on a specimen of neutron irradiated Ni. In-depth discussion on the application of this technique is provided along with resources to allow for conversion between the spherical assumption and this revised method. This work seeks to increase experimental confidence in the characterization and quantification of critical aspects of irradiation damage in materials by applying a crystallographically-resolved approach for cavity swelling calculation.

Haag IV, James V. [Pacific Northwest National Labo

Evaluating Crystallinity in Thermoplastic composites

Polymer matrix composites (PMCs) offer many benefits for the aerospace industry due to their potential for weight reduction when compared to metal or ceramic based materials. Most PMCs currently in flight use thermoset matrices, however, thermoplastic resins are being explored as alternatives due to their ability to be remelted, which is of particular interest due to the potential for in-situ repair and manufacturing required in space. Most thermoplastic resins are semicrystalline polymers. The properties of semicrystalline thermoplastics are largely influenced by their crystallinity, which can vary due to many factors including thermal treatments, environmental conditions, and mechanical deformation. Monitoring the crystallinity of thermoplastic composites is key to ensuring these materials reliably meet the high demands required by space exploration. This talk discusses the use of multiple techniques such as Polarized Light Optical Microscopy and Fourier-Transform Infrared Spectroscopy to characterize the crystallinity in various thermoplastic composites, including carbon fiber reinforced PMCs and novel bio-based Martian and Lunar regolith composites designed for in-situ manufacturing. This work aims to provide the fundamental data necessary to understand the effects of crystallinity on thermoplastic PMCs, which is key to advancing their use in space applications.

Thermoplastics

Solar-Wind Bombardment of a Surface in Space

The solar wind is described and its effects on surfaces are reviewed. Experimental results are given for materials subjected to simulated solar-wind bombardment. Among the effects discussed are sputtering-type erosion, chemical reaction with paint vehicles and reduction of oxide pigments, and production of lunar-surface optical characteristics in a basalt powder.

Solar Wind

A Panchromatic View of the Restless SN 2009ip Reveals the Explosive Ejection of a Massive Star Envelope

The double explosion of SN 2009ip in 2012 raises questions about our understanding of the late stages of massive star evolution. Here we present a comprehensive study of SN 2009ip during its remarkable rebrightenings. High-cadence photometric and spectroscopic observations from the GeV to the radio band obtained from a variety of ground-based and space facilities (including the Very Large Array, Swift, Fermi, Hubble Space Telescope, and XMM) constrain SN 2009ip to be a low energy (E (is) approximately 10(exp 50) erg for an ejecta mass approximately 0.5 solar mass) and asymmetric explosion in a complex medium shaped by multiple eruptions of the restless progenitor star. Most of the energy is radiated as a result of the shock breaking out through a dense shell of material located at approximately 5 × 10( exp 14) cm with M approximately 0.1 solar mass, ejected by the precursor outburst approximately 40 days before the major explosion. We interpret the NIR excess of emission as signature of material located further out, the origin of which has to be connected with documented mass-loss episodes in the previous years. Our modeling predicts bright neutrino emission associated with the shock break-out if the cosmic-ray energy is comparable to the radiated energy. We connect this phenomenology with the explosive ejection of the outer layers of the massive progenitor star, which later interacted with material deposited in the surroundings by previous eruptions. Future observations will reveal if the massive luminous progenitor star survived. Irrespective of whether the explosion was terminal, SN 2009ip brought to light the existence of new channels for sustained episodic mass loss, the physical origin of which has yet to be identified.

view

The Development of Kinetic and Radiation Hydrodynamics Modeling of Thermonuclear Burn Propagation in Isochoric p - 11 B Through the Support of the INFUSE Program

The report summarizes DOE INFUSE-supported work between HB11 Energy and the University of Rochester’s TriForce Institute to improve computational modeling of advanced fusion fuels, especially proton–boron-11 (p- 11 B). The project extended the TriForce particle-in-cell/Monte Carlo collision code to include physics needed for dense, high-temperature p- 11 B burn studies, including p- 11 B fusion reactions, three-alpha-particle reaction products, relativistic Coulomb collisions, large-angle nuclear scattering, bremsstrahlung radiation, inverse bremsstrahlung absorption, and photon transport. The upgraded models were verified against focused physics tests and against known deuterium–tritium burn behavior. The study then used one-dimensional spherical simulations to estimate the conditions required for thermonuclear burn propagation in isochoric p- 11 B fuel. The calculations found that burn propagation is possible in the model, but only under very extreme hot-spot conditions, such as about 7000 g/cm 3 at 500 keV or 9000 g/cm 3 at 300 keV for a 20-micron hot spot. These conditions are much more demanding than current demonstrated inertial confinement fusion hot spots. The report concludes that the INFUSE collaboration successfully advanced kinetic and radiation modeling capabilities for p- 11 B fusion and provided useful estimates of ignition requirements. However, the simulated fuel gains remain below what would be needed for practical inertial fusion energy, and further work is needed to reconcile differences among kinetic, radiation-hydrodynamic, and analytic models and to identify more achievable target designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

PAH101: A GW+BSE Dataset of 101 Polycyclic Aromatic Hydrocarbon (PAH) Molecular Crystals

Abstract The excited-state properties of molecular crystals are important for applications in organic electronic devices. TheGWapproximation and Bethe-Salpeter equation (GW+BSE) is the state-of-the-art method for calculating the excited-state properties of crystalline solids with periodic boundary conditions. We present the PAH101 dataset ofGW+BSE calculations for 101 molecular crystals of polycyclic aromatic hydrocarbons (PAHs) with up to ~500 atoms in the unit cell. To the best of our knowledge, this is the firstGW+BSE dataset for molecular crystals. The data records include theGWquasiparticle band structure, the fundamental band gap, the static dielectric constant, the first singlet exciton energy (optical gap), the first triplet exciton energy, the dielectric function, and optical absorption spectra for light polarized along the three lattice vectors. The dataset can be used to (i) discover materials with desired electronic/optical properties, (ii) identify correlations between DFT andGW+BSE quantities, and (iii) train machine learned models to help in materials discovery efforts.

Science & Technology - Other Topics

A Study of Space Environment Effect on Highly Thermally Conductive Hybrid Carbon Fiber Polymer Composites

A set of novel highly thermally conductive hybrid carbon fiber (CF) polymer composites has been developed for lightweight thermal radiator applications in space missions. This study investigates the effects of the space environment on these materials following exposure in low-Earth orbit (LEO) during the Materials International Space Station Experiment (MISSE)-17 flight mission, where samples experienced 159 days of combined atomic oxygen (AO), ultraviolet (UV) radiation, high vacuum, space radiation and thermal cycling. Post-flight characterization included weight loss, surface morphology, thermo-optical properties, molecular structures, glass transition temperature, thermal degradation and thermal conductivity analyses. The pyrolytic graphite sheet (PGS) samples exhibited negligible weight loss, stable thermo-optical property, and only minor oxidation signature on the exposed surface. Although AO erosion of the epoxy polymer matrix was evident, carbon nanotube (CNT)-infused PGS/CF epoxy composites retained high thermal emissivity and preserved their high thermal conductivities. These results demonstrate that the novel highly thermally conductive hybrid CF composites possess strong environmental resilience and are promising candidates for lightweight thermal radiators and thermal management components in future space exploration missions.

Space Environment

Breaking the Energy Barrier of Heavy Metal Ion Diffusion in Micropores with Mesoporous 3D Graphene for Fast and Efficient Cu2+ Removal

Efficient removal of heavy metals from water critically depends not only on adsorption capacity but also on ion diffusion kinetics and the associated energy barriers. In conventional carbon adsorbents, severe diffusion confinement within micropores restricts ion transport, resulting in sluggish adsorption kinetics and large apparent activation energies despite high specific surface areas. Here, we demonstrate that this fundamental limitation is overcome by engineering meso/macroporous architectures in the 3D graphene materials synthesized via our discovered alkali-metal reactions with\\\\r\\\\n2\\\\r\\\\nCO. The unique 3D graphene materials possess defect-rich graphene frameworks with interconnected meso/macroporous networks, exhibiting simultaneously high surface area and greatly enhanced meso/macropore volume that enable efficient access to adsorption sites. As a result, the Cu2+ adsorption on 3D graphene proceeds with very low activation energies (4.98 kJ mol–1), which is almost 4 times smaller than on activated carbon (23.1 kJ mol–1). This finding offers a promising platform for efficient and sustainable water purification.

25 ENERGY STORAGE

Improved high-gradient performance for medium-velocity superconducting half-wave resonators: Surface preparation and trapped flux mitigation

A development effort to improve the performance of superconducting radio-frequency half-wave resonators (SRF HWRs) is underway at the Facility for Rare Isotope Beams (FRIB), where 220 such resonators are in operation. Our goal was to achieve an intrinsic quality factor (𝑄 0 ) of ≥ 2 × 10 10 at an accelerating gradient (𝐸 acc ) of 12 MV/m. FRIB production resonators were prepared with buffered chemical polishing. First trials of electropolishing (EP) and post-EP low-temperature baking of FRIB HWRs allowed us to reach higher gradient (15 MV/m, limited by quench) with a higher quality factor at high gradient, but 𝑄 0 was still below our goal. Trapped magnetic flux during the Dewar test was found to be a source of 𝑄 0 reduction. Three strategies were used to reduce the trapped flux: (i) adding a local magnetic shield (LMGS) to supplement the “global” magnetic shield around the Dewar for reduction of the ambient magnetic field; (ii) performing a “uniform cooldown” (UC) to reduce the thermoelectric currents; and (iii) using a compensation coil to further reduce the ambient field with active field cancellation (AFC). The LMGS improved the 𝑄 0 , but not enough to reach our goal. With UC and AFC, we exceeded our goal, reaching 𝑄 0 = 2.8 ×10 10 at 𝐸 acc = 12 MV/m.

Cryogenics & vacuum technology

Storage battery comprising negative plates of a wedge shaped configuration

An improved silver-zinc battery particularly suited for use in an environment where battery operation is subjected to multiple charge/discharge cycling over extended periods is described. The battery seperator system, containing a highly absorbent material continguous with the surfaces of the plates and multiple semi-permeable membranes interposed between the plates, is also characterized.

Bogner, R. S.

X-Hab 2026: LiDAR-Powered Autonomous Charging Service Capability for Surface Rovers and Systems

This document details the timeline of the LiDAR-Powered Autonomous Charging Service Capability for Surface Rovers and Systems project, initiated by the Fall 2025 semester class and completed by the Spring 2026 semester class. This project focuses on developing a fully autonomous system composed of a mobile surface rover and an induction charging station with a robotic arm, both controlled by their own NVIDIA Jetson Orin Nano. Structural improvements to the rover suspension system and body eliminated excessive camber, reduced stress and strain on the plexiglass body, and improved maneuverability and durability of the rover. The charging station robotic arm was fully redesigned to increase reach while minimizing weight and increasing misalignment tolerance during docking on uneven terrain. Electrical system improvements addressed previous torque and power limitations of both the rover and charging station arm. High-torque servo motors were selected based on updated calculations which incorporated terrain slope and Factor of Safety, enabling zero-point turning for the rover and increased payload capacity of the charging station arm. Significant progress was made in autonomy and perception. The rover now employs 3D LiDAR and SLAM mapping for localization, mapping, and path planning. The Battery Monitoring System (BMS) was created to coordinate battery management between the rover and charging station. The BMS provides continuous monitoring of battery state of charge, temperature, current, and will enable the autonomous initiation, execution, and termination of the charging cycle via Bluetooth communication. Testing of the WIBOTIC induction charging system demonstrated reliable power transfer under both aligned and misaligned conditions. This project demonstrated the ability of an autonomously navigating surface rover to independently plan a path to the charging station, dock, and the charging station to autonomously deploy a robotic charging arm and initiate charging of the rover. This work details the progress made to demonstrate the feasibility of autonomous surface rover navigation and recharging systems.

Megan Steele

Uncovering obscured phonon dynamics from powder inelastic neutron scattering using machine learning

The study of phonon dynamics is pivotal for understanding material properties, yet it faces challenges due to the irreversible information loss inherent in powder inelastic neutron scattering spectra and the limitations of traditional analysis methods. In this study, we present a machine learning framework designed to reveal obscured phonon dynamics from powder spectra. Using a variational autoencoder, we obtain a disentangled latent representation of spectra and successfully extract force constants for reconstructing phonon dispersions. Notably, our model demonstrates effective applicability to experimental data even when trained exclusively on physics-based simulations. The fine-tuning with experimental spectra further mitigates issues arising from domain shift. Analysis of latent space underscores the model’s versatility and generalizability, affirming its suitability for complex system applications. Furthermore, our framework’s two-stage design is promising for developing a universal pre-trained feature extractor. This approach has the potential to revolutionize neutron measurements of phonon dynamics, offering researchers a potent tool to decipher intricate spectra and gain valuable insights into the intrinsic physics of materials.

domain adaptation

Construction of an Exact Pressure-Equilibrium Scheme for the Five-Equation Two-Phase Flow Model With Thermal Relaxation

Numerical simulation of compressible multiphase flows based on the four-equation (homogeneous relaxation) model is known to suffer from two fundamental difficulties with (a) wave propagation and (b) pressure equilibrium preservation. First, the mixture sound speed exhibits non-monotonic dependency with respect to the volume fraction, which leads to robustness issues in the resolution of shocks and acoustic wave propagation across two-phase regions. This difficulty can be mitigated by solving Allaire’s five-equation model augmented with infinitely fast phasic temperature equilibrium, from which solutions of the four-equation model can be recovered. However, when temperature is non-uniform, this augmented five-equation formulation still fails to preserve pressure equilibrium across material interfaces. In this work, we propose a fully conservative numerical scheme that exactly preserves pressure equilibrium at the discrete level for the augmented five-equation model, for arbitrary initial distributions of temperature and volume fraction. Combined with the monotonic sound speed property of the five-equation formulation, the proposed pressure-equilibrium preserving scheme significantly improves robustness in the presence of strong multiphase interactions, including shock–interface interactions and advection of material interfaces.

ESG

Using scalable computer vision to automate high-throughput semiconductor characterization

Abstract High-throughput materials synthesis methods, crucial for discovering novel functional materials, face a bottleneck in property characterization. These high-throughput synthesis tools produce 10 4 samples per hour using ink-based deposition while most characterization methods are either slow (conventional rates of 10 1 samples per hour) or rigid (e.g., designed for standard thin films), resulting in a bottleneck. To address this, we propose automated characterization (autocharacterization) tools that leverage adaptive computer vision for an 85x faster throughput compared to non-automated workflows. Our tools include a generalizable composition mapping tool and two scalable autocharacterization algorithms that: (1) autonomously compute the band gaps of 200 compositions in 6 minutes, and (2) autonomously compute the environmental stability of 200 compositions in 20 minutes, achieving 98.5% and 96.9% accuracy, respectively, when benchmarked against domain expert manual evaluation. These tools, demonstrated on the formamidinium (FA) and methylammonium (MA) mixed-cation perovskite system FA 1−x MA x PbI 3 , 0 ≤ x ≤ 1, significantly accelerate the characterization process, synchronizing it closer to the rate of high-throughput synthesis.

Science & Technology - Other Topics

Linking Community‐Climate Disequilibrium to Ecosystem Function

Turnover in species composition often lags behind the pace of climate change, resulting in mismatches between climate and communities. However, the impact of these community‐climate disequilibria on ecosystem functions is rarely considered, and current methods for measuring disequilibria assume that species ranges were, until recently, in equilibrium with climate. Here, in this work, we develop a simple theoretical model to address both of these problems by linking community‐climate disequilibrium with ecosystem functioning. We show how disequilibrium can impair functioning in the near‐term even when climate change is expected to enhance functioning in the long‐term. Responses are most likely to change over time in communities where turnover is slow, the impact of disequilibrium counteracts the direct effects of climate on ecosystem function, and pre‐existing disequilibrium is large. These findings emphasise the importance of precise and unbiased estimates of community‐climate disequilibria for improving ecological forecasts. By fitting our model to time series of both climate and ecosystem function from a metacommunity simulation, we show the potential for community‐climate disequilibrium to be inferred without direct knowledge about species' distributions or climatic tolerances. We end by outlining a research agenda to apply dynamic disequilibrium concepts and test novel hypotheses across diverse ecosystems.

climate change

Phosphorylation toggles the SARS-CoV-2 nucleocapsid protein between two membrane-associated condensate states

Abstract The Nucleocapsid protein (N) of SARS-CoV-2 plays a critical role in the viral lifecycle by regulating RNA replication and by packaging the viral genome. N and RNA phase separate to form condensates that may be important for these functions. Both functions occur at membrane surfaces, but how N toggles between these two membrane-associated functional states is unclear. Here, we reveal that phosphorylation switches how N condensates interact with membranes, in part by modulating condensate material properties. Our studies also show that phosphorylation alters N’s interaction with viral membrane proteins. We gain mechanistic insight through structural analysis and molecular simulations, which suggest phosphorylation induces a conformational change in N that softens condensate material properties. Together, our findings identify membrane association as a key feature of N condensates and provide mechanistic insights into the regulatory role of phosphorylation. Understanding this mechanism suggests potential therapeutic targets for COVID infection.

Science & Technology - Other Topics