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531 records · Page 18

In-Situ Visualization of a Growing Brittle Crack in Aluminum Oxynitride Using Synchrotron X-Rays and the Double-Cleavage Drilled Compression Geometry

Brittle fracture is difficult to study in situ due to the speed of a growing crack and the often-catastrophic nature of failure in brittle materials. As a result, the influence of microstructural considerations, such as orientation, grain boundary locations, and strain field, on the crack path remains poorly understood. Presented in this study is a method addressing this knowledge gap, which utilizes the double-cleavage drilled compression geometry to achieve quasi-stable fracture in aluminum oxynitride (AlON). Synchrotron X-ray micro-computed tomography is used to characterize the crack shape and length, while high-energy diffraction microscopy provides information on the strains, orientations, and shapes of grains in the microstructure surrounding the crack tip. During testing, the crack grew in discrete and irregular jumps while the fracture toughness falls within reported ranges. The crack in AlON is found to have no greater tendency to crack intergranularly as compared to transgranularly, and grains which are cracked transgranularly do not display a trend in orientation or stress when compared to those around which the crack followed a grain boundary. The high resolution of the crack path and microstructural data provides a path forward for modeling and understanding 3D brittle fracture.

Gorske, Sara F.

Complex-Valued Intermolecular Coupling Enables Directional Exciton Transport in Excitonic Circuits

Molecular systems capable of directing the flow of excitons are key to the development and optimization of optoelectronic materials. The transport of excitons across multiple molecules is governed by an intermolecular electronic coupling network. In this article, we consider the effects of complex-valued intermolecular electronic coupling on exciton transport. Here, we present a molecular motif capable of generating complex-valued coupling under excitation with circularly polarized light. We use theoretical modeling and simulation to illustrate how complex coupling can be leveraged to drive the rotational flux of excitons in cyclic molecular networks and direct the exciton population in branched molecular networks.

chromophores

Peptoid-Based Nanosheets Exhibiting Broad Antiviral Activity Against Enveloped RNA Viruses

Enveloped RNA viruses, such as Influenza A (H1N1) and Sindbis virus, pose persistent global health threats due to their high mutation rates, efficient transmission, and frequent drug resistance. By mimicking host cell membrane receptors, multivalent virus inhibitors can block viral attachment, making them promising broad-spectrum antiviral agents. However, most of existing antivirals are often limited by strain specificity, short-lived efficacy, and toxicity. Here, we introduce a broad-spectrum antiviral platform based on highly tunable and biocompatible two-dimensional nanomembranes (2DNMs) self-assembled from amphiphilic peptoids, operating via a non-genomic, mutation-insensitive mechanism. By varying peptoid sequence, we design and synthesize over twenty different 2DNMs with various surface charge and high density of viral-attachment ligands (VALs). The self-assembled architecture of these stable 2DNMs provides cooperative noncovalent multivalent binding to virus particles that result in effective inhibition of viral infection. Screening of variants identified three leads that potently suppressed Influenza A (H1N1) and Sindbis virus infection across median tissue culture infectious dose (TCID50), plaque, RT–qPCR, and immunofluorescence assays, while maintaining >90% cell viability. These nanosheets significantly reduced infectious titers, viral RNA replication, and intracellular viral protein expression, indicating inhibition at early stages of viral entry and propagation. The sequence programmability, chemical robustness, and mutation-insensitive antiviral activity distinguish 2DNMs from traditional antivirals and positions them as a versatile materials platform for antiviral coatings, protective barriers, and prophylactic biomedical applications.

Influenza A virus

Modeling Study of Hatch Spacing’s Effect on Grain Morphology in Repairing Damaged Metal Parts with Welding and Hatch Spacing’s Potential Use in Lunar Exploration

The welding process is a potential way of repairing a damaged metal component, especially cavity damage caused by a harsh environment like the lunar environment, which is characterized by large temperature differences and reduced gravity. The adjustment of welding parameter (e.g., hatch spacing) can improve production efficiency in the repair process. Seen from the microstructural level, hatch spacing sensitivity affects the metallic grain evolution and morphology in the welding process, which can further influence a repaired part’s mechanical properties; however, the study of hatch spacing’s effect on microstructure is challenging. Traditional experimental procedures are costly and time-consuming, and any change in hatch spacing value needs roll-back of experimental procedure. A modeling study can address the above challenges in experimental observation. In this research, a modeling approach based on the Kinetic Monte Carlo (KMC) Potts theory was used to simulate grain evolution and morphology with three hatch spacings. Through quantifying and analyzing the predicted grain morphologies, the effect of hatch spacing on microstructure in a welding-fabricated part was investigated. The predicted grain morphologies were validated with an EBSD image of welding microstructure, which has been published before. The primary grain morphologies were columnar grains with a small amount of fine equiaxed grains formed in the scanning path centerline. When increasing the hatch spacing, the columnar grains become larger and more lengthy, while the effect of hatch spacing on the equiaxed grains is not obvious.

Welding for repairing

Topographic effects on reflected acoustic waves from the OSIRIS-REx reentry observed from stratospheric balloons

During long-distance sound propagation in planetary atmospheres, acoustic waves may reflect off the air/surface interface one or more times. For low sound frequencies and flat interfaces, the incident and reflected wave tend to be nearly identical. However, this may not be the case when the downgoing acoustic wave encounters topography. Here, we describe a set of direct and reflected acoustic signals recorded on free-flying balloons during the hypersonic entry of the OSIRIS-REx sample return capsule (SRC). In two of the three cases presented here, an impulsive reflected arrival similar in form to the direct sonic boom of the SRC is observed, followed by a diffuse coda. In contrast, one of the floating stations lacked an impulsive reflection entirely, with only the coda present. We use full waveform modeling to show how reflection in the presence of complex topography can explain coda seen in all three examples as well as the lack of impulsive arrival on the third. Our results indicate that the complex signals often observed in long range acoustic propagation could be due, in part, to interactions with topography during transmission.

Lees, Jonathan M. [University of North Carolina, C

Dynamic nanodomains dictate macroscopic properties in lead halide perovskites

Lead halide perovskites have emerged as promising materials for solar energy conversion and X-ray detection owing to their remarkable optoelectronic properties. However, the microscopic origins of their superior performance remain unclear. Here we show that low-symmetry dynamic nanodomains present in the high-symmetry average cubic phases, whose characteristics are dictated by the A-site cation, govern the macroscopic behaviour. We combine X-ray diffuse scattering, inelastic neutron spectroscopy, hyperspectral photoluminescence microscopy and machine-learning-assisted molecular dynamics simulations to directly correlate local nanoscale dynamics with macroscopic optoelectronic response. Our approach reveals that methylammonium-based perovskites form densely packed, anisotropic dynamic nanodomains with out-of-phase octahedral tilting, whereas formamidinium-based systems develop sparse, isotropic, spherical nanodomains with in-phase tilting, even when crystallography reveals cubic symmetry on average. We demonstrate that these sparsely distributed isotropic nanodomains present in formamidinium-based systems reduce electronic dynamic disorder, resulting in a beneficial optoelectronic response, thereby enhancing the performance of formamidinium-based lead halide perovskite devices. By elucidating the influence of the A-site cation on local dynamic nanodomains, and consequently, on the macroscopic properties, we propose leveraging this relationship to engineer the optoelectronic response of these materials, propelling further advancements in perovskite-based photovoltaics, optoelectronics and X-ray imaging.

Materials Science

Research Achievements Review, Volume II

Materials research - diffusion bonding methods, stress corrosion tests, nondestructive testing, material designs for electronic equipment, and nonmetallic material development.

Materials Science

Phosphate Textural Diversity in CI Chondrites and C-Type Asteroids

Introduction: Apatite, Ca 5 (PO 4 ) 3 (CL/F/OH-), is a ubiquitous phosphate found throughout the solar system, including the most primitive solids, CI-chondrites [1,2] and related samples of carbonaceous asteroids Ryugu [3] and Bennu [4], returned by JAXA’s Hayabusa2 and NASA’s OSIRIS-REx missions, respectively. Apatite in these primitive solids is found as individual grains or mineral clusters and has been inferred to form from the hydrothermal sequence during cooling of their respective parent body or bodies. To better understand the formation history and reworking of these early phosphates we have undertaken a highly coordinated study of phosphate microstructures, geochemistry and U/Pb geochronology from a suite of CI meteorites and carbonaceous asteroid samples. These data have identified novel phosphate microstructures and complex relationships across a suite of apatite grains from the early solar system, indicating multiple episodes of growth and modification on the CI parent body(ies). Methods: Samples of CI chondrites, Alais, Ivuna, Orgueil, Oued Chebeika 002, Yamato (Y) 82162, Y980115, Y980134, and two chips of Hayabusa2 Ryugu particles (A0262 and C0263) have been acquired for analysis. The bulk texture of the samples were first scanned by X-ray Computed Tomography (XCT) using the Nikon XT H 320 within the XFACT facility at NASA JSC or the Xradia 620 Versa at the UTCT facility. Based on the identification of petrofabrics or features of interest from the XCT data, samples were chipped, oriented, potted in epoxy and thick sections were prepared. After anhydrously polishing the samples with silicon carbide and dry diamond powder down to 1 µm, the samples were ion polished using a Hitachi ArBlade. Energy dispersive Xray spectrometry (EDS) maps were collected to ID phosphates of interest using a JEOL 7900F SEM. The internal microstructures of identified phosphates were then mapped by electron backscatter diffraction (EBSD) using the JEOL 7900F. Based on the EDS and EBSD data, domains of interest were targeted for quantitative chemical analyses using a JEOL 8530 EPMA. Subsequently, in situ U-Pb and 207 Pb/ 206 Pb ages will be collected using a Cameca ims1290 secondary ion mass spectrometer at UCLA across a range of microstructures. Results: Apatite grains are ubiquitous throughout the CI chondrites and carbonaceous asteroid materials, found as individual grains, disseminated clusters or grain aggregates. Apatite grains are associated with serpentine, magnet-ite, and/or carbonate. Of particular interest, we have identified individual and aggregate polycrystalline grains ex-hibiting an internal ‘honeycomb’ texture (Fig. 1). Some of these grains appear overprinted by subsequent alteration while others remain unaltered. Apatite halogen sites are dominated by the missing component, assumed to be OH, and F, comparable to published values from Bennu, Ryugu and CM-chondrites [3-5]. However, the Yamato CI-like meteorites show a broader range of Cl values, and one grain from Alais is dominated by CL. Summary: Apatite growth features indicate a protracted and complex growth history, consistent with precipitation from an evolving fluid system. The ‘honeycomb’ texture identified in some CI meteorites is, to the best of our knowledge, the first report of such a microstructure in meteoritic phosphate. The microtextures and zoning will guide subsequent age analyses, to better constrain the formation and reworking of phosphate in CI(-like) materials. Acknowledgments: We thank the National Institute of Polar Research, Japan for samples of Y82162, 980115 and 980134 meteorites, ASU’s Buseck Center for Meteorite Studies for samples of Ivuna and Alais meteorites, and JAXA curation for chips of Ryugu material. This work was funded by NASA ROSES LARS grant 24-LARS24-0014. References: [1] Morlok et al., 2016, GCA 70:5371-5394. [2] Alfin g et al., 2019, Geochemistry 79:125532. [3] Nakamura et al. (2022) Science 379:1-15. [4] Seifert et al. (2026) MAPS 61:504-521. [5] Piralla et al. (2021) MAPS 56:809-828.

CI chondrites

Application of Ibuprofen Sodium Dihydrate for Thermochemical Energy Storage

Thermochemical energy storage (TCES) offers a transformative approach to address grid instability by harnessing reversible chemical reactions for efficient heat storage and release. Here, we introduce pharmaceutical organic salt hydrates as a class of materials with exceptional performance for low-grade waste heat recovery. We demonstrate ibuprofen sodium dihydrate (ISD) as an example organic hydrate exhibiting a dehydration temperature range of 60-110 °C and a remarkable dehydration enthalpy of up to 59.5 kJ/mol of water, ideally suited for capturing industrial and residential waste heat. Using rigorous multimodal characterization, including thermogravimetric analysis, differential scanning calorimetry, in-situ FTIR, in-situ PXRD, and NMR, we demonstrate ISD's superior thermal, chemical, and structural stability over 150 hydration-dehydration cycles, achieving an unprecedented cycling efficiency of ~99.9%. Compared to conventional inorganic salt hydrates like strontium chloride hexahydrate and calcium oxalate monohydrate, ISD showcases enhanced durability without deliquescence or pulverization, even under high-humidity conditions. In-situ analyses confirm the transition from ISD to ibuprofen sodium anhydrous (ISA) proceeds with structural reorganization, thereby combining the dehydration mechanism with phase transitions, resulting in higher energy storage capacity. Microstructural analyses reveal that repeated water intercalation and structural transitions aid in creating significant porosity that enhances water transport kinetics, further improving the hydration/dehydration performance. By combining the phase change and chemical dehydration mechanisms, ISD paves the way for designing a new class of organic salt hydrates, offering tunable properties to meet diverse thermal energy storage demands and supporting sustainable grid resilience.

Thangaraj, Kavin C.

Improving Adhesive Bondline Time of Flight Predictions During Autoclave Cure Utilizing Machine Learning

Composite materials are increasingly being used in aerospace applications due to their superior strength-to-weight ratio compared to commonly used metals. A current limitation to widespread adoption is the certification of adhesively bonded joints. One approach to improving adhesive bonding in composites is accurately measuring the thickness of adhesive bondlines in composite laminates. Precise bondline thickness control is essential for aerospace applications where adhesive layer thickness directly affects joint fracture properties and structural performance. This study focused on implementing machine learning techniques to determine the ultrasonic time of flight (directly correlated to thickness) in adhesive bondlines throughout autoclave cure cycles. A high-temperature (use up to 180°C) ultrasonic scanning system was deployed in an autoclave to provide time of flight data through composite panels. Three experiments were conducted on the curing of 305 mm × 305 mm unidirectional composite panels. In the first experiment, a piecewise function was fit for the temperature correction factor to account for changing autoclave temperatures. Due to deficiencies in the first calibration experiment, a second experiment was run, and the results were used to train a machine learning model. The revised experiment, in combination with the machine learning model, significantly increased the accuracy of the bondline time of flight predictions (~14% error reduced to <1%). Data was processed using the Regression Learner Application in MATLAB®, with a Support Vector Machine selected for the model. The result was a machine learning algorithm capable of reliably quantifying ultrasonic time of flight through adhesive bondlines. The third experiment provided independent test data for the machine learning model, demonstrating that the model produces accurate predictions from data beyond its training set.

Machine Learning

Second LDEF Post-Retrieval Symposium Abstracts

These abstracts from the symposium represent the data analysis of the 57 experiments flown on the LDEF. The experiments include materials, coatings, thermal systems, power and propulsion, science, (cosmic ray, interstellar gas, heavy ions, micrometeoroids, etc.), electronics, optics, and life science.

Arlene S. Levine

Carbon in GaN as a nonradiative recombination center

Trap-assisted nonradiative recombination has been shown to limit the efficiency of optoelectronic devices. While substitutional carbon (⁠C N ) has been suggested to be a nonradiative recombination center in GaN devices, a complete recombination cycle including the two charge-state transition levels has not been previously described. In this work, we investigate the trap-assisted recombination process due to C N in GaN, including multiphonon emission, radiative recombination, trap-assisted Auger–Meitner (TAAM) recombination as well as thermal emission of holes. Our study shows the key role of TAAM processes at the high carrier densities relevant for devices. We also reveal the carrier-density regimes where thermal emission and radiative recombination are expected to play an observable role. Our results highlight that carbon concentrations exceeding ~10 17 cm −3 can have a noticeable impact on device efficiency, not just in GaN active layers but also in InGaN and AlGaN. Furthermore, our comprehensive formalism not only offers detailed results for carbon but also provides a general framework for assessing the multiple processes that participate in trap-assisted recombination in semiconductors.

36 MATERIALS SCIENCE

Weibel-mediated filamentary structures observed in the ICF context

Here, in light of novel and past experimental results, we demonstrate how Weibel-mediated filamentary structures can develop in the expanding plasma plume of a laser-irradiated foil. The transverse ballistic cooling that occurs during the quasi-spherical plasma expansion naturally drives an electron pressure anisotropy, resulting in the growth of electron current filaments. This effect competes with electron–ion Coulomb collisions, which tend to isotropize the electron distribution function. Based on theoretical and particle-in-cell modeling, we provide estimates of the dominant wavelength and amplitude of the self-generated magnetic fluctuations, which are found to explain experimental data obtained at the OMEGA and Laser Megajoule facilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Weak localization and universal conductance fluctuations in large-area twisted bilayer graphene

We study diffusive magnetotransport in highly 𝑝-doped large-area twisted bilayer graphene in 1∘, 7∘, 9∘, and 20∘ samples. All samples exhibit weak localization, from which we extract the phase coherence length and intervalley scattering lengths, and from that determine that dephasing is caused by electron-electron scattering and intervalley scattering is caused by point defects. We observe signatures of universal conductance fluctuations in the 9∘ sample, which has high mobility and is near the van Hove singularity. Further improvements in sample quality and applications to large-area moiré materials will open new avenues to observe quantum interference effects.

Talkington, Spenser [University of Pennsylvania]

Scaling Demand Flexibility: Building on 30 Years of Energy Efficiency Success

With electricity consumption across the United States (US) and Canada anticipated to grow, energy efficiency program administrators have a key role to play in helping to ensure energy affordability and reliability in support of the broader economic systems utilities and grid support. Connected, demand side load balancing solutions, such as load shifting heating, ventilation and air conditioning (HVAC) systems and managed charging for electric vehicles (EVs), can dynamically manage energy, allowing for more volumetric electricity consumption without incurring the expense of upgraded transmission and distribution capabilities. When combined, or aggregated, many small loads can be managed to have meaningful impact on energy demand on the grid. Utilities and their partners have an opportunity to leverage decades of experience and the infrastructure needed to assess, design, implement, and measure programs to scale up the adoption of equipment with built-in load flexibility capabilities. Current efforts among a wide variety of electricity system service providers, utilities, standards agencies, regulators, national labs and private industry stakeholders aim to identify common standards, metrics, and methodologies for valuing grid services offered by demand side equipment. By combining those efforts with decades of proven energy efficiency resources, utilities are poised to effectuate a scaling up of equipment with energy management capabilities installed in homes and businesses across the US and Canada. This paper will provide an overview of how utilities are approaching this era of load growth and new peak demands across the United States and Canada. It will highlight the specific strategies that program administrators are employing to advance market transformation for grid-enabled products and devices that have the greatest potential to reduce energy use and increase load flexibility.

Grant, Peter

Microstructure prediction for Ti-22Al-25Nb in laser powder bed fusion

This work presents a physics-informed framework for predicting solidification morphology and defect susceptibility in additively manufactured Ti–22Al–25Nb across a broad processing space. The framework integrates solidification microstructure selection (SMS) analysis with a single-track defect-based printability map to establish a unified methodology linking processing parameters to both interfacial morphology and manufacturability. Thermal gradients G and solidification rates R are first computed using the Thermo-Calc Additive Manufacturing (TC-AM) module, a finite-interface-dissipation (FID) phase-field (PF) model coupled with CALPHAD method is then employed to systematically distinguish planar and dendritic regimes as functions of $G$ and $R$. By superimposing the printability map onto the morphology projections, a comprehensive process–structure framework is obtained. Across most processing conditions, the predicted microstructure is predominantly dendritic, while planar growth emerges only under selected laser power $P$ and scan speed $v$ combinations. In addition to morphology classification, the framework quantifies the dendritic area fraction and introduces a width-based morphology descriptor to characterize the spatial extent of planar/dendritic regions within the melt pool. It provides mechanistic insight into the interplay between solidification physics and defect formation, offering practical guidance for parameter selection and microstructural control in Ti–22Al–25Nb additive manufacturing (AM).

36 MATERIALS SCIENCE

Conformer-Specific Dissociation Dynamics in Dimethyl Methylphosphonate Radical Cation

The dynamics of the dimethyl methylphosphonate (DMMP) radical cation after production by strong field adiabatic ionization have been investigated. Pump-probe experiments using strong field 1300 nm pulses to adiabatically ionize DMMP and a 800 nm non-ionizing probe induce coherent oscillations of the parent ion yield with a period of about 45 fs. The yields of two fragments, PO 2 C 2 H 7 + and PO 2 CH 4 + , oscillate approximately out of phase with the parent ion, but with a slight phase shift relative to each other. We use electronic structure theory and nonadiabatic surface hopping dynamics to understand the underlying dynamics. The results show that while the cation oscillates on the ground state along the P=O bond stretch coordinate, the probe excites population to higher electronic states that can lead to fragments PO 2 C 2 H 7 + and PO 2 CH 4 + . The computational results combined with the experimental observations indicate that the two conformers of DMMP that are populated under experimental conditions exhibit different dynamics after being excited to the higher electronic states of the cation leading to different dissociation products. These results highlight the potential usefulness of these pump-probe measurements as a tool to study conformer-specific dynamics in molecules of biological interest.

59 BASIC BIOLOGICAL SCIENCES

Physical and Operational Status of the Photovoltaic Systems in the Municipality of Pinotepa de Don Luis, Oaxaca, One Year after Their Installation [Estado fisico y operativo de los sistemas fotovoltaicos en el municipio de Pinotepa de Don Luis, Oaxaca un ano despues de su instalacion]

In November 1990, an inspection visit was made to the residential lighting photovoltaic systems that had been installed approximately one year before in the rural communities of the Municipality of Pinotepa de Don Luis, in the State of Oaxaca. The main purpose of the visit was to evaluate the physical and operational status of these systems. The systems typically consist of a photovoltaic module with a capacity of 30 or 35 Watts, an automotive type battery, an indicator of the status of charge of the battery, 3 fluorescent lamps and the corresponding installation, including cables, connection or outlet box and switches. It can be seen that the systems are in good physical condition and do not show any signs of intentionally caused damage. However, the incidence of failures is higher than what had been expected; therefore the operational status of these systems is considered to be below a level that could be accepted, with a tendency to getting worse. The main problem that has been detected is the lack of automatic charge controllers. This problem has caused other important failures. Serious deficiencies were appreciated in the installations, which show evidence of the poor workmanship of the installers. The lack of system standardization is evident, both regarding the components and the installation. As a consequence, there are technical factors which indicate that the installed systems will keep deteriorating at a rate faster than normal, and will stop operating in a short time unless urgent preventive and corrective measures are taken. The attitude of the users with respect to the systems is generally positive. However, there are elements that make the correct operation and maintenance of these systems a very difficult task. The users did not receive any training regarding the best way to operate and take care of their systems, nor any other information in relation to their technical limitations.

14 SOLAR ENERGY