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DOE OSTI2026

Ion Transport and Crystal Rotation in Plastic Crystal Electrolytes Under Applied Electric Fields

Organic ionic plastic crystal electrolytes, containing a plastic crystal and lithium salt, offer a potential balance between mechanical and electrochemical properties for solid state lithium-ion battery electrolytes. These electrolytes contain multiple mobile ionic species (three or four), resulting in complex transport mechanisms which have not yet been established. Plastic crystals are defined by long-range positional order and short-range rotational disorder. It is therefore necessary to quantify changes in the local crystal structure of the electrolyte as current flows through it. Herein, we examine the electrochemical properties of pyrrolidinium-based plastic crystal electrolytes containing lithium salt and zwitterion additives, including measurements of current fraction and limiting current. We obtain species-specific insight into electrolyte transport using pulsed-field gradient nuclear magnetic resonance spectroscopy and find that, while the zwitterion additive increases ionic conductivity, it decreases lithium diffusivity with respect to other ionic components. With operando spatiotemporally resolved wide-angle X-ray scattering we observe location-specific crystal rotations due to the passage of ionic current. In conclusion, we posit that reducing energy dissipation due to rotation is essential for using plastic crystal electrolytes in practical applications.

Yap, Kyra M. K. [University of California, Berkele↗

NASA NTRS2025

Enhancing Nasa Sounding Rocket Capabilities Through Composite Material Adoption

Sounding rockets are a suborbital research platform employed by NASA for heliophysics, astrophysics, and geospace science investigations, and for technology development. They follow semi-parabolic trajectories and are launched using surplus military, and commercial, solid-propellant rocket motors. NASA sounding rocket payloads are comprised of standard, modular subassemblies, designed to perform specific functions critical to achieving mission success criteria. Since the program’s inception, payload length and mass have trended upwards, limiting the capability of the platform to reach exospheric apogees and decreasing the time above critical altitudes to observe solar and celestial targets. To offset this trend, composite materials may be of use in payload and subsystem design to decrease payload mass. This investigation seeks to understand if there is a practical benefit to introducing composite materials on the NSRP by assessing mission specific impacts to those missions conducted in fiscal year 2024. To accurately estimate the mass of a composites-based payload, a standard subsystem (NIACS) underwent structural reconfiguration. Materials were selected that align with NSRP design, manufacturing, and testing standards. NIACS reconfiguration resulted in a mass reduction of 19.6% which was then applied to the payload system in entirety. Using vehicle performance carpet plots, delta apogee and time above the Kármán line were determined. Performance improvements were then evaluated against that mission’s success criteria to determine if that mission would have benefitted from using composite materials. On average, each mission would have gained 59.8 kilometers apogee and 62.9 seconds above the Kármán line. However, only nine of the seventeen missions would have benefitted from these performance improvements. Two of the missions could have used a lower-impulse launch vehicle to achieve mission success. Upleg stability met programmatic criteria; downleg instability and dynamic pressure improved, showing that ballast would not offset the mass reduction of using composite materials. Cost analysis showed that production costs will increase 39%. For the two missions that could have used a lower-impulse launch vehicle, the cost of the launch vehicle would have offset payload production costs. In summary, composite materials are not recommended for universal use on NASA sounding rocket payloads due to unclear programmatic benefits and added cost. However, they are justified for optical astrophysics and heliophysics missions, high-apogee (exosphere) requirements, or when they reduce payload costs versus higher impulse launch vehicles. Reflown, recoverable subsystems should use composites to enhance apogee and observation time.

Robert Henry Burth↗

DOE OSTI2026

SAVY-4000 Finite-Element Drop Test Analysis

PFE Auxiliary Systems conducted drop testing on SAVY-4000 containers to evaluate structural response under 12-foot drop conditions. In support of that effort, a finite-element modeling capability was developed to simulate drop response across multiple container sizes and impact orientations. The purpose of this work was to provide a consistent analysis framework that could support interpretation of testing, compare response trends across multiple configurations, and generate quantities of interest for later comparison with experimental data. More broadly, the analysis and testing were intended to assess whether the containers continued to perform their primary function after a 12-foot drop, namely maintaining structural integrity and containment of the contents. The modeling approach combined an implicit preload analysis with an explicit drop simulation so that each drop event began from a mechanically realistic assembled condition, including compression of the silicone O-ring. Separate models were developed for 2-quart, 5-quart, 12-quart, and 10-gallon containers. The results were evaluated in terms of strain-gauge response, collar-lid gap behavior, and accumulated plastic strain. In addition, parametric studies were performed on the 2-quart container to assess sensitivity to O-ring stiffness, friction, canister thickness, geometry tolerance, and mesh density. The simulations showed that predicted drop responses depended strongly on both container size and drop orientation. Gap metrics identified cases in which the predicted collar-lid opening exceeded the nominal O-ring cross-section threshold, while plastic strain metrics identified localized regions of elevated permanent deformation. Parametric studies showed that the predicted response was especially sensitive to the assumed O-ring stiffness and contact friction, while the geometry tolerance study produced smaller changes in the cases examined. The main value of this work was that it established a repeatable modeling and simulation workflow to support drop-test implementation, evaluate effects of future configuration changes, and understand modeling assumptions that most influenced predicted response. At the current stage, the results were viewed as preliminary model predictions rather than validated predictions. The next step would be to compare drop-test data to the model so that predictive values of the workflow could be refined and used with greater confidence to assess whether the containers maintained structural integrity and containment of the contents after a 12-foot drop.

42 ENGINEERING↗

DOE OSTI2024

RG-CAT: Detection pipeline and catalogue of radio galaxies in the EMU pilot survey

Abstract We present source detection and catalogue construction pipelines to build the first catalogue of radio galaxies from the 270$\rm deg^2$pilot survey of the Evolutionary Map of the Universe (EMU-PS) conducted with the Australian Square Kilometre Array Pathfinder (ASKAP) telescope. The detection pipeline uses Gal-DINO computer vision networks (Gupta et al. 2024, PASA, 41, e001) to predict the categories of radio morphology and bounding boxes for radio sources, as well as their potential infrared host positions. The Gal-DINO network is trained and evaluated on approximately 5 000 visually inspected radio galaxies and their infrared hosts, encompassing both compact and extended radio morphologies. We find that the Intersection over Union (IoU) for the predicted and ground-truth bounding boxes is larger than 0.5 for 99% of the radio sources, and 98% of predicted host positions are within$3^{\prime \prime}$of the ground-truth infrared host in the evaluation set. The catalogue construction pipeline uses the predictions of the trained network on the radio and infrared image cutouts based on the catalogue of radio components identified using theSelavysource finder algorithm. Confidence scores of the predictions are then used to prioritiseSelavycomponents with higher scores and incorporate them first into the catalogue. This results in identifications for a total of 211 625 radio sources, with 201 211 classified as compact and unresolved. The remaining 10 414 are categorised as extended radio morphologies, including 582 FR-I, 5 602 FR-II, 1 494 FR-x (uncertain whether FR-I or FR-II), 2 375 R (single-peak resolved) radio galaxies, and 361 with peculiar and other rare morphologies. Each source in the catalogue includes a confidence score. We cross-match the radio sources in the catalogue with the infrared and optical catalogues, finding infrared cross-matches for 73% and photometric redshifts for 36% of the radio galaxies. The EMU-PS catalogue and the detection pipelines presented here will be used towards constructing catalogues for the main EMU survey covering the full southern sky.

Astronomy & Astrophysics↗

DOE OSTI2026

Universal Relationship between Limiting Current and Electrochemical Transport Properties in Malonate-Based Polymer Electrolytes

There is considerable interest in developing high-performance electrolytes for rechargeable lithium batteries. For practical applications, the electrolyte must support large dc currents. However, the parameters most often reported in the literature, conductivity, κ, and current fraction, ρ + , reflect ion transport in the limit of infinitesimal currents. In this limit, the efficacy of an electrolyte is given by the product κρ + . The limiting current density, i lim , is the maximum current density that can be applied across an electrolyte; the cell voltage diverges if the applied current density exceeds ilim. This parameter reflects ion transport in the limit of large dc currents and is therefore of practical interest. It would therefore be convenient if i lim could be predicted from measurements of κρ + . In order to explore this possibility, we studied six malonate-based polymers and PEO at a fixed salt concentration (r = 0.08) and temperature (90°C) using symmetric cells with planar electrodes. Unfortunately, there is no correlation between ilim and κρ + . When the applied current density, i, is less than ilim, the cell voltage approaches a stable plateau, ϕ plateau . Here, we found a linear dependence between i and thickness-normalized plateau potential, ϕ plateau L –1 , irrespective of the magnitude of the applied current. In all seven polymer electrolytes, we found a linear correlation between ilim and the slopes of these lines, σ. In other words, measurements of σ can be used to predict the limiting current.

Jana, Rounak [Lawrence Berkeley National Laborator↗

DOE OSTI2026

Systems Engineering and Analysis in Support of a US Federal Staging Facility for UNF

The US Department of Energy Office of Nuclear Energy (DOE-NE) Office of Spent Fuel and High-Level Waste Disposition is examining a set of system options and conducting supporting analyses to inform the development of an integrated waste management system, which may include one or more federal staging facilities (FSFs) for used nuclear fuel (UNF ) sited using a collaborative siting process. This paper focuses on the ongoing activities in two systems engineering and analysis work areas: (1) data and tools development, validation, and maintenance and (2) systems engineering execution. Within the first work area, the STANDARDS 5.0 UNF data and analysis tool, formerly known as UNF-ST&DARDS, is being developed as a foundational resource to assist in the management of UNF data. It has the key capability to model UNF throughout the entire back end of the fuel cycle. STANDARDS also includes several compatible analysis tools for the time-dependent characterization of UNF and related systems by interfacing with the SCALE code system for nuclear analysis and COBRA-SFS for thermal analysis. Also, within the data and tools area is the Next Generation System Analysis Model (NGSAM), which is an agent-based simulation software tool expressly designed to be capable of modeling the waste management system, including the transportation of UNF to and from a FSF. NGSAM has been developed to enable informed decision-making by providing the capability to analyze various potential system options for the management of UNF and high-level radioactive waste. Finally, in the systems engineering execution area, the team has begun to apply a disciplined systems engineering approach at the system level along with supporting analysis to guide the development of the FSF project requirements (including associated transportation infrastructure). Systems engineering principles and practices and their adaptation/application to design and development activities will ensure that the waste management system is effectively implemented as work proceeds. Other activities include investigating the implications of changes in various assumptions and parameters related to waste management systems, such as UNF acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, and different assumed facility operation start dates. Keywords: federal staging facility (FSF), used nuclear fuel (UNF), integrated waste management (IWM) system, Next Generation System Analysis Model (NGSAM), STANDARDS, systems engineering

Joseph, Robert↗

DOE OSTI2026

Emergent surface resonance from charge density wave symmetry breaking in TiSe 2

Surface confined electronic states provide a fertile ground for discovering emergent phenomena that have no counterpart in the bulk, offering new routes to manipulate correlations, symmetry breaking, and dimensionality at the atomic scale. Here, in this study, we show that charge density wave (CDW) symmetry breaking can yield surface states in 1⁢T−TiSe 2 . Micro–angle-resolved photoemission spectroscopy (µ-ARPES) resolves a sharp, two-dimensional surface resonant state (SRS) that emerges within the CDW reconstructed low energy spectrum. The SRS exhibits notable temperature dependence and its spectral weight collapses around ∼ 160 K, while CDW transition temperature 𝑇 CDW is commonly reported as ≈ 202 K. Slab DFT + 𝑈 calculations reproduce a surface localized resonance when CDW folding brings valence and conduction states into near degeneracy, suggesting a correlation tuned, surface selective origin. These results point to a form of correlation-tuned surface resonance in a layered CDW compound and suggest a framework for engineering low-dimensional quantum states in van der Waals materials via symmetry breaking and electronic structure tuning.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Photoelectrochemical Proton-Coupled Electron Transfer of TiO 2 Thin Films on Silicon

TiO 2 thin films are often used as protective layers on semiconductors for applications in photovoltaics, molecule–semiconductor hybrid photoelectrodes, and more. Experiments reported here show that TiO 2 thin films on silicon are electrochemically and photoelectrochemically reduced in buffered acetonitrile at potentials relevant to photoelectrocatalysis of CO 2 reduction, N 2 reduction, and H 2 evolution. On both n-type Si and irradiated p-type Si, TiO 2 reduction is proton-coupled with a 1e – :1H + stoichiometry, as demonstrated by the Nernstian dependence of the Ti 4+/3+ E 1/2 on the buffer pK a . Experiments were conducted with and without illumination, and a photovoltage of ∼0.6 V was observed across 20 orders of magnitude in proton activity. The 4 nm films are almost stoichiometrically reduced under mild conditions. The reduced films catalytically transfer protons and electrons to hydrogen atom acceptors, based on cyclic voltammogram, bulk electrolysis, and other mechanistic evidence. TiO 2 /Si thus has the potential to photoelectrochemically generate high-energy H atom carriers. Characterization of the TiO 2 films after reduction reveals restructuring with the formation of islands, rendering TiO 2 films as a potentially poor choice as protecting films or catalyst supports under reducing and protic conditions. Altogether, this work demonstrates that atomic layer deposition TiO 2 films on silicon photoelectrodes undergo both chemical and morphological changes upon application of potentials only modestly negative of RHE in these media. While the results should serve as a cautionary tale for researchers aiming to immobilize molecular monolayers on “protective” metal oxides, the robust proton-coupled electron transfer reactivity of the films introduces opportunities for the photoelectrochemical generation of reactive charge-carrying mediators.

Electrodes↗

DOE OSTI2025

Interwoven magnetic kagome metal overcomes geometric frustration

Magnetic kagome materials provide a platform for exploring magneto-transport phenomena, symmetry breaking and charge ordering driven by the intricate interplay among electronic structure, topology and magnetism. Yet geometric frustration in conventional kagome magnets limits their tunability. Here we propose a design strategy for interweaving quasi-one-dimensional magnetic Tb zigzag chains with non-magnetic Ti-based kagome bilayers in TbTi 3 Bi 4 . Comprehensive spectroscopic analyses reveal coexisting elliptical-spiral magnetic and spin-density-wave orders accompanied by a large ~90 meV band-folding gap. The combined magnetic and electronic state leads to a giant anomalous Hall conductivity of 10 5 Ω −1 cm −1 , which exceeds that observed in frustrated kagome analogues. These results establish TbTi 3 Bi 4 as a model system of magnetic kagome metals with strong electron–magnetism interactions and underscore the necessity of interweaving designed magnetic and charge layers separately to achieve tunable transport properties. This design strategy will enable the discovery of emergent quantum states and next-generation electronic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2023

Cryogenic Flow Boiling in Microgravity: Effects of Reduced Gravity on Two-Phase Fluid Physics and Heat Transfer

With the growing interest in space exploration, cryogenic technologies involving two-phase flow and heat transfer are in high demand to successfully procure advanced space applications such as fuel depots and nuclear thermal propulsion (NTP) systems for deep space missions. However, the unique and extreme thermal properties of cryogenic fluids introduce distinct flow boiling fluid physics and energy transport phenomena, which differ significantly from those observed with conventional fluids. Understanding the unique two-phase physics in cryogenic flow boiling remains an ongoing challenge. Furthermore, the lack of readily available microgravity cryogenic steady-state heat transfer data hinders the assessment of gravitational effects on cryogenic flow boiling. This study aims to elucidate the gravitational effects on two-phase fluid physics and heat transfer by conducting the first-ever experimental measurement of cryogenic flow boiling performance using a steady-state heated method in a reduced gravity environment. Parabolic flight experiments were performed to acquire both heat transfer measurements and high-speed video of interfacial behaviors, under varying gravity levels (microgravity, hypergravity, Lunar gravity, and Martian gravity). The experiments involved flow boiling of liquid nitrogen (LN 2 ) with a near-saturated inlet along a circular heated tube of dimensions 8.5-mm inner diameter and 680-mm heated length. The operating parameters varied are mass velocity of 398.3 - 1342.8 kg/m2s, inlet quality of -0.08 to -0.01, and inlet pressure of 413.68 - 689.48 kPa. Captured microgravity flow patterns range from bubbly to annular, all having vapor structures that are larger than those under higher gravity levels. Under microgravity, absence of buoyancy yields symmetrical vapor structures without flow stratification, laying a physical foundation for the distinct two-phase heat transfer trends during LN 2 flow boiling in microgravity. Transient data collected during the flight parabolas exhibited decreasing heated wall temperature as the aircraft transitioned from hypergravity to microgravity phases. The temperature variation indicated an enhancement in flow boiling heat transfer with decreasing gravity levels and a reduction with increasing gravity levels. The effect of reduced gravity on cryogenic flow boiling heat transfer coefficient (HTC) is discussed based on steady state heat transfer analysis. Seminal HTC correlations are evaluated against the measured microgravity HTC data, of which one is identified for superior accuracy in predicting microgravity data. Finally, a new HTC correlation is proposed to improve accuracy of microgravity predictions, yet there still exists room for further improvement with future terrestrial flow boiling experiments at different flow orientations relative to Earth gravity.

Microgravity↗

NASA NTRSDate not supplied

Thermo-Poro-Mechanical Modeling of RTV Intumescence

Room temperature vulcanizing (RTV) silicone is a high-temperature adhesive used as a gap-filler between heatshield tiles in numerous entry missions. Its propensity to intumesce, or swell upon exposure to heat, is a well-known effect that needs to be carefully quantified during design. At tile interfaces of charring ablators, intumescence, combined with differential recession, could cause the gap filler to protrude past the ablator outer mold line, forming a “fence”. Fencing can in turn cause transition to turbulence of the flow wetting the heat shield, leading to augmented surface heating. Recent experiments conducted at the Plasmatron X facility, the high enthalpy wind tunnel of the Center for Hypersonics and Entry Systems Studies, have shown prominent fencing of RTV gap fillers in PICA, under both nitrogen and air plasmas. Similar observations are well known in the arcjet literature. Further experiments under controlled environment, performed using in situ X-ray micro-computed tomography (micro-CT) at the Advanced Light Source (ALS), have shown heating rate-dependent swelling and shrinkage of RTV during pyrolysis. To simulate RTV intumescence, a novel model was introduced in the Porous Materials Analysis Toolbox based on OpenFOAM, PATO, to account for pore-pressure buildup within both closed- and open-pores. The governing equation for the thermo-poro-mechanical response were developed, assuming linear elasticity for the charring silicone. A new multi-pyrolysis model that tracks non-monotonic advancement of material properties with pyrolysis was proposed. This model addresses the limitations of state-of-the-art ablator models to capture the different stages of thermal degradation and coupled thermomechanics. Swelling of RTV was simulated using the new thermo-poro-mechanical model and compared against in situ micro-CT data. Results showed good agreement in intumescence height and temperature profiles at all heating rates, indicating that the key factor contributing to RTV swelling is the internal pressure build-up within closed- and open-pores. As RTV is cured into a soft (rubbery) compound with low-porosity and permeability, initial temperature increase and pyrolysis gas production cause a significant increase of internal pressure, causing a pronounced volume growth. As thermal degradation progresses, rigidization of the silicone occurs due to char hardening which counteract volume shrinkage after gas pressure relief. Overall, our model shows that accounting for changes in properties such porosity, permeability and key thermomechanical coefficients is crucial for capturing the RTV volume change during ablation and enable a predictive capability for heatshield tile interface response. A plan for future calibration of thermomechanical properties evolution during degradation is discussed, as a key next step to close the new model.

RTV↗

NASA NTRSDate not supplied

Thermo-Poro-Mechanical Modeling of RTV Intumescence

silicone intumescence↗

NASA NTRSDate not supplied

Enabling Interoperability in Earth System Digital Twins (ESDT): Integrating Observations, Models, and AI for Actionable Insights Through NASA'S Intelligent Systems Technology Program

NASA’s Intelligent Systems Technology Program (IST) is driving a paradigm shift in Earth science through the development of Earth System Digital Twins (ESDT). These integrated information systems create a dynamic "digital replica" of the Earth by harmonizing continuous, multi-source observations with high-fidelity models and state-of-the-art artificial intelligence (AI) that enable “What now?”, “What next?”, and “What if?” scenario building. These scenarios are reflected in NASA IST’s series of ESDTs, from the Coastal Zone Digital Twin that integrates complex data on the current state of the Chesapeake Bay to the Terrestrial Environmental Rapid-Replication and Assimilation Hydrometeorological (TerraHydro) AI-based ESDT that forecasts water movement across Earth’s surface, to the Agriculture Land Information System (AgLIS) which can be used to assess optimal planting dates and crop yield estimates. By bridging the gap between vast data archives and actionable insights, these projects enable a system-of-systems approach to understanding complex, interacting Earth processes. This poster will highlight recent innovations and future directions from NASA’s ESDT initiatives: Continuous Data Assimilation & Multi-Source Fusion. A core requirement of the ESDT work is the transition from static models to dynamic "living" replicas. This involves creating frameworks for the continual assimilation of near-real-time data from uncoordinated, heterogeneous sources, including satellite observations and airborne assets, and ground-based Internet of Things (IoT) sensors. These systems link design, operational status, and environmental data, ensuring the digital twin accurately reflects the current state of the physical Earth system. High-Fidelity Hybrid Modeling & Computational Acceleration to enable interactive "what-if" explorations, programs are moving beyond traditional, slow physical solvers by developing fast surrogate machine learning models and Deep Generative Models (DGMs). These hybrid approaches use neural networks to emulate complex physics, such as cloud feedback or ocean dynamics, at a fraction of the original computing cost, often leveraging advanced hardware like Graphics Processing Units (GPUs) to achieve the necessary scale. Federated Ecosystems & Interoperable Frameworks rather than building isolated tools, NASA IST is moving toward federated ESDTs and reusable analytic collaborative frameworks. This theme focuses on interoperability standards and common ontologies that allow specialized digital twins to interact and share data. This system-of-systems architecture supports multi-discipline investigations, such as analyzing how upstream watershed changes impact downstream urban flooding or how wildfire emissions affect regional air quality. By leveraging these advancements, ESDTs empower researchers and decision-makers to conduct real-time analysis and run complex hypothetical scenarios, ultimately improving our understanding of Earth’s evolving systems and informing critical real-world applications.

Earth System↗

DOE OSTI2025

Engineering 2D Square Lattice Hubbard Models in 90° Twisted GeX/SnX (X =S, Se) Moiré Superlattices

Because of the large-period superlattices emerging in moiré two-dimensional (2D) materials, electronic states in such systems exhibit low energy flat bands that can be used to simulate strongly correlated physics in a highly tunable setup. While many investigations have thus far focused on moiré flat bands and emergent correlated electron physics in triangular, honeycomb, and quasi-one-dimensional lattices, tunable moiré realizations of square lattices subject to strong correlations remain elusive. Here, in this work, we propose a feasible scheme to construct moiré square lattice systems by twisting two or more layers of 2D materials in a rectangular lattice by 90°. We demonstrate the concept with twisted GeX/SnX (X =S, Se) moiré superlattices and calculate their electronic structures from first principles. We show that the lowest conduction flat band in these systems can be described by a square lattice Hubbard model with parameters which can be controlled by varying the choice of host materials, number of layers, and external electric fields. In particular, twisted double bilayer GeSe realizes a square lattice Hubbard model with strong frustration due to the next-nearest-neighbor hopping that could host unconventional superconductivity, in close analogy to the Hubbard model for copper-oxygen planes of cuprate high-temperature superconductors. The presented scheme uses 90° twisted 2D materials with rectangular unit cells as a promising platform for realizing the physical phenomena of square lattice Hubbard models, establishing a new route for studying its rich phase diagram of magnetism, charge order, and unconventional superconductivity in a highly tunable setting.

2-dimensional systems↗

DOE OSTI2026

Restoration of weak localization in bilayer graphene by a molecular thin film

Quantum coherent effects can be probed in multilayer graphene through electronic transport measurements at low temperatures. In particular, bilayer graphene (BLG) is known to be susceptible to quantum interference corrections of the conductivity, presenting weak localization at all electronic densities, and dependent on different scattering mechanisms such as those related to the trigonal warping of the electron dispersion near the K and K′ valleys. Proximity effects with a molecular thin film influence these scattering mechanisms, which can be quantified through the known theory of magnetoconductance for BLG. Here, we present electronic transport measurements in a copper-phthalocyanine (CuPc) / BLG / hexagonal boron nitride (h-BN) heterostructure that suggest the restoration of weak localization in BLG, associated to a reduction of trigonal warping effects, that are known to suppress weak localization in BLG. Additionally, we observe a charge transfer of 3.6×10 12 cm −2 from the BLG to the molecules, as well as a very small degradation of the mobility of the BLG/h-BN heterostructure upon the deposition of CuPc. The molecular arrangement of the CuPc thin film is characterized in a control sample through transmission electron microscopy, that we relate to the electronic transport results.

bilayer graphene↗

DOE OSTI2026

Data-Driven Discovery and Experimental Validation of Solvent Polarity Effects on Conjugated Polymer Solution-to-Film Assembly Pathways

Understanding how solvent properties influence the solution-to-film assembly of conjugated polymers remains a critical challenge due to the complex and intertwined nature of polymer–solvent interactions. In this study, we integrate a data-driven framework with experimental validation to identify key parameters influencing the assembly and performance of poly[2,5-(2-octyldodecyl)-3,6-diketopyrrolopyrrole-alt-5,5-(2,5-di(thien-2-yl)thieno[3,2-b]thiophene)] (DPP-DTT) in organic field-effect transistors (OFETs). A machine learning (ML) approach identified the normalized Reichardt polarity parameter (E T N ) as a significant descriptor correlated with DPP-DTT hole mobility (μ). Systematic DPP-DTT devices fabricated using solvents across a wide E T N range revealed that higher E T N solvents yield enhanced μ. To elucidate the structural origins of high μ, we conducted comprehensive analyses using UV–vis–NIR spectroscopy and grazing incidence wide angle X-ray scattering (GIWAXS) measurements. The results revealed that films processed from high E T N solvents exhibit reduced paracrystallinity. By analyzing the solution-state behavior using optical microscopy and solution WAXS, we revealed polymer solubility differences in the various solvents and associated distinct polymer assembly pathways, elucidating why the high E T N solvent produces long-range ordered films. Notably, the high E T N solvent shows a pronounced preference for liquid-crystal (LC)-mediated assembly, providing a mechanistic explanation for the enhanced structural order. Therefore, these results demonstrate that solvent polarity, as evaluated by E T N , serves as an important parameter that plays a significant role in the DPP-DTT assembly pathway and resultant solid-state morphology. This work provides a strategy for integrating data science with experiments to identify critical parameters associated with complex polymer systems and helps guide rational process design for high-performance organic electronics.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Detection and characterization of detached tidal dwarf galaxies

Tidal interactions between galaxies often give rise to tidal tails, which can harbor concentrations of stars and interstellar gas resembling dwarf galaxies. Some of these tidal dwarf galaxies (TDGs) have the potential to detach from their parent galaxies and become independent entities, but their long-term survival is uncertain. In this study, we conducted a search for detached TDGs associated with a sample of 39 interacting galaxy pairs in the local Universe using infrared, ultraviolet, and optical images. We employed IR colors and UV/optical/IR spectral energy distributions to identify potential interlopers, such as foreground stars or background quasars. Through spectroscopic observations using the Boller and Chivens spectrograph at San Pedro Mártir Observatory, we confirmed that six candidate TDGs are at the same redshift as their putative parent galaxy pairs. We identified and measured emission lines in the optical spectra and calculated nebular oxygen abundances, which range from log(O/H) = 8.10 ± 0.01 to 8.51 ± 0.02. We have serendipitously discovered an additional detached TDG candidate in Arp72 using available spectra from SDSS. Utilizing the photometric data and the CIGALE code for stellar population and dust emission fitting, we derived the stellar masses, stellar population ages, and stellar metallicities for these detached TDGs. Compared to standard mass-metallicity relations for dwarf galaxies, five of the seven candidates have higher than expected metallicities, confirming their tidal origins. One of the seven candidates remains unclear due to large uncertainties in metallicity, and another has stellar and nebular metallicities compatible with those of a preexisting dwarf galaxy. The latter object is relatively compact in the optical relative to its stellar mass, in contrast to the other candidate TDGs, which have large diameters for their stellar masses compared to most dwarf galaxies. The derived stellar population ages range from 100 Myr to 900 Myr, while the inferred stellar masses are between 2 × 10 6 M ⊙ and 8 × 10 7 M ⊙ . Four of the six TDGs are associated with the gas-rich M51-like pair Arp 72, one TDG is associated with a second M51-like pair Arp 86, and another is associated with Arp 65, an approximately equal mass pair. In spite of the relatively low stellar masses of these TDGs, they have survived for at least 100–900 Myrs, suggesting that they are stable and in dynamical equilibrium. We conclude that encounters with a relatively low-mass companion (1/10th–1/4th of the mass of the primary) can also produce long-lasting TDGs.

Astronomy & Astrophysics↗

DOE OSTI2026

Multifunctional electrochemical memory stabilized by phase coexistence

Our growing computing needs, especially in applications that heavily rely on artificial intelligence (AI), motivate a search for new components that could substantially augment the performance of general-purpose digital computers. Beyond ON/OFF switching, new components with linear multistate analog resistive tuning, nonlinear volatile switching, spiking, oscillatory, stochastic and other complex functionalities could enable highly efficient neuromorphic computing schemes for AI information processing. Compared to the extreme multifunctionality of biological neurons, realizing all the above characteristics in a single, scalable analog component remains a grand challenge. Here we investigate electrochemical gating combined with localized thermal activation to program and switch a single, vertically integrated and dimensionally scaled electrothermal chemical random access memory (ETCRAM) with a channel and reservoir composed of phase-separated vanadium oxide. Closely related to electrochemical RAM (ECRAM), ETCRAM uses an integrated gate-heater electrode to overcome kinetic barriers that help retain states at ambient temperatures. In addition to synapse-like stable and programmable analog resistance states arising from redox-tunable phase coexistence, a single component exhibits neuron-like nonlinear conductance switching with a tunable threshold and self-driven dynamics owing to the thermally driven metal-insulator phase transition in vanadium dioxide. More broadly, we demonstrate that electrochemically stabilized phase coexistence could unlock analog electronics with novel functionality, stability, reconfigurability, and scalability.

Oh, Sangheon [Sandia National Lab. (SNL-CA), Liver↗