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DOE OSTI2024

Interfaces enhanced plasma irradiation resistance in CrMoTaWV/W multilayer films through blocking He diffusion

The performance of plasma-facing materials (PFMs) is one of the key factors that significantly impact the stability of operation in fusion reactors. Herein, a new CrMoTaWV/W (high entropy alloy (HEA)/W) multilayer structure is designed as PFM to investigate its resistance to He plasma irradiation. It was observed that the introduction of the interfaces effectively absorbed plenty of He atoms, preventing them from diffusing into the material and delaying the formation of fuzz incubation zone, therefore, enhancing the resistance to plasma irradiation. The thickness transformed to fuzz in the HEA/W multilayer films was observed to be about two-thirds of those in the CrMoTaWV (HEA) film. Additionally, the fuzz growth rates in HEA/W multilayer films are lower than the average growth rate of bulk W and HEA films combined. These findings highlight a promising new avenue for the exploration of high-performance PFMs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1996

Was the MSSTA 2 mission successful?

The Multi-Spectral Solar Telescope Array (MSSTA) is a rocket borne solar observatory designed to address a wide range of scientific questions relating to two aspects of the structure and dynamics of the solar atmosphere: (1) The heating and dynamics of chromospheric and coronal structures including spicules, coronal loops, bright points, and planes; and the role of the fine scale structure of the chromospheric network in the transport of mass and energy between these structures, and (2) The large scale structures of the corona, including the interface of prominences and filaments with material at coronal temperatures, the transition region structure of coronal holes and plumes, and their relationship to the solar wind. In order to address these fundamental scientific problems, the observational objective of the MSSTA is to obtain a set of high resolution spectroheliograms with the following properties: (1) Sufficiently broad spectral coverage and accurate photometry to allow modeling of structures covering the full range of temperatures observed in non-flaring chromosphere/corona, 10(exp 4) K to 10(exp 7) K; (2) Sufficient spectral resolution (lambda / delta lambda approx. 30-100) in each spectroheliogram to allow isolation of the emission from lines excited over a narrow range of temperatures; (3) To address objective (a), spatial resolution sufficient to resolve structures on the sun on a scale of 100-200 km (0.1-0.3 arc seconds); to address objective (b), images of the full disk and inner corona with resolution at least 1.0 arc second, and high sensitivity images of the extended corona (to approx. 3-4 solar radii above the limb) with resolution of approx. 3 arc seconds; for both objectives (c), direct measurements of the coronal magnetic field. (4) To access the role of non-thermal phenomena in the heating and dynamics of the chromosphere/corona interface, high resolution (lambda / delta lambda greater than 1000) spectroheliograms with spatial resolution of 1-3 arc seconds.

Spencer, Dwight C.↗

DOE OSTI2026

Latent space dynamics identification for interface tracking with application to shock-induced pore collapse

Capturing sharp, evolving interfaces remains a central challenge in reduced-order modeling, especially when data is limited and the system exhibits localized nonlinearities or discontinuities. Here, we propose LaSDI-IT (Latent Space Dynamics Identification for Interface Tracking), a data-driven framework that combines low-dimensional latent dynamics learning with explicit interface-aware encoding to enable accurate and efficient modeling of physical systems involving moving material boundaries. At the core of LaSDI-IT is a revised autoencoder architecture that jointly reconstructs the physical field and an indicator function representing material regions or phases, allowing the model to track complex interface evolution without requiring detailed physical models or mesh adaptation. The latent dynamics are learned through linear regression in the encoded space and generalized across parameter regimes using Gaussian process interpolation with greedy sampling. We demonstrate LaSDI-IT on the problem of shock-induced pore collapse in high explosives, a process characterized by sharp temperature gradients and dynamically deforming pore geometries. The method achieves relative prediction errors below 9% across the parameter space, accurately recovers key quantities of interest such as pore area and hot spot formation, and matches the performance of dense training with only half the data. This latent dynamics prediction was 10 6 times faster than the conventional high-fidelity simulation, proving its utility for multi-query applications. These results highlight LaSDI-IT as a general, data-efficient framework for modeling discontinuity-rich systems in computational physics, with potential applications in multiphase flows, fracture mechanics, and phase change problems.

Gaussian process↗

NASA NTRS1998

Tough Like Metal

Under an SBIR (Small Business Innovative Research) with Lewis Research Center, Advanced Ceramics Corporation developed a family of high temperature and doped boron nitride coating that offer improvement in interface durability of SiC/SiC composites. The new materials are 1,000 times more durable and greatly extend composite lifetimes. The development of this was commercialized with assistance from Lewis and Advanced Ceramic's own money and is supplying several composites manufacturers with new interface coating from an expanded in-line tow coating facility.

Source record↗

DOE OSTI2025

Polymorphs of the n–Type Polymer P(NDI2OD–T2): A Comprehensive Description of the Impact of Processing on Crystalline Morphology and Charge Transport

A systematic study of the polymorphs emerging in P(NDI2OD-T2) (also commercially known as N2200), a prototypical organic semiconducting n-type polymer, is presented. Using a tightly integrated experimental and computational approach, detailed atomistic-level descriptions are provided investigating the three known P(NDI2OD-T2) polymorphs observed at room temperature as a function of thin-film processing. Importantly, over the course of the work, a missing link is uncovered, a fourth polymorph referred to here as Form I-β; this new form is a morphological intermediary observed upon thermal annealing, which evolves from Form I but tends to disappear upon full polymer chain melting. The computationally derived polymorph structures show excellent agreement with experimental X-ray scattering characterization. The relative stabilities of each polymorph are calculated in terms of both the bulk material and the polymorph-air interface. An energy landscape is then constructed to qualitatively compare the thermodynamic versus kinetic origins of each polymorph, and the factors driving (supra)assembly and associated transformations among polymorphs using an approach generalizable to other organic semiconducting polymers. Lastly, the relationships among preferential polymorphic crystallinity, relative chain orientations, and directional charge transport properties in P(NDI2OD-T2) are explored. Altogether, this work provides unprecedented insights into complex structure-processing-transport relationships in a representative semiconducting organic polymer.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Application of lipid-stabilized liquid-liquid interfaces in 3D printing of biomaterials

Developing strategies to stabilize liquid-liquid interfaces is essential for advancing applications in various biomedical systems. This study introduces a novel biocompatible in situ-forming material in which lipid self-assembly stabilizes water–oil interfaces, enabling controlled structuring of liquids through liquid-in-liquid 3D printing. The stabilization process, driven by the formation of nanostructures at the interface, is thoroughly analyzed through small-angle X-ray scattering (SAXS), rheometry, and microscopy techniques. This material system enables the fabrication of complex 3D constructs, including fibers, substrates, and microneedle patches, which exhibit outstanding mechanical properties and biocompatibility, as confirmed by tensile testing and cell viability tests. Here, by leveraging the unique properties of lipid-stabilized interfaces, this work demonstrates the potential of this approach for diverse biomedical applications such as drug delivery and tissue engineering while establishing a foundation for future advancements in liquid-in-liquid 3D printing technology.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Configurable antiferromagnetic domains and lateral exchange bias in atomically thin CrPS 4

Interfacial exchange coupling between antiferromagnets (AFMs) and ferromagnets (FMs) crucially makes it possible to shift the FM hysteresis, known as exchange bias, and to switch AFM states. Two-dimensional magnets unlock opportunities to combine AFM and FM materials; however, the buried AFM–FM interfaces obtained by stacking remains challenging to understand. Here, in this work, we demonstrate interfacial control via intralayer exchange coupling in the layered AFM CrPS 4 , where connected even and odd layers realize pristine lateral interfaces between AFM-like and FM-like regions. We distinguish antiphase even-layer states by scanning nitrogen-vacancy centre magnetometry due to a weak surface magnetization. This surface magnetization enables control over the even-layer state, with different regions switching at distinct fields due to their own lateral couplings. We toggle three AFM domains adjacent to a FM-like region and demonstrate a tunable multilevel exchange bias. Our nanoscale visualization unveils the microscopic origins of exchange bias and advances single two-dimensional crystals for hybrid AFM–FM technologies.

magnetic devices↗

NASA NTRS2023

NASA X-HAB Water Delivery System

As part of the eXploration Systems and Habitation (X-HAB) Academic Innovation Challenge program of National Aeronautics and Space Administration (NASA), The Ohio State University was selected to improve the performance of NASA’s existing Vegetable Production System (VEGGIE), which is a deployable plant growth unit for International Space Station (ISS). During the academic year 2015-2016, The Ohio State University student team developed a passive water delivery system using capillary water transport principle (Jenson et al. 2016). The major design improvement made was directly connecting the water reservoir to the plant-rooting pillows using a single-interface capillary cord design. Harvestable plants were successfully grown from seeds using the single interface system. In addition, Nomex®, a fabric material composed of short nylon based fibers, was identified as the material for wicks. Finally, the water reservoir was modeled as a propellant management device (PMD) to ensure consistent and long term watering of the VEGGIE system. The PMDs are made of materials that utilize surface tension and adhesive forces to improve stability and fluid delivery. The team recommended using a sponge PMD in order to mitigate bubble obstruction, decrease system weight, and ensure reliable water delivery to the capillary interface.

Peter Ling↗

DOE OSTI2026

Ion transport through reconfigurable nanoparticle-surfactant stabilized droplet interface bilayers

Despite their adaptability and mechanical stability, Pickering emulsions based on the interfacial assembly of colloidal particles have not found use in iontronics, since the dense interfacial packing of micron-sized particles precludes functional connectivity between two droplets. In this work, we introduce a chemically reconfigurable droplet interface bilayer (DIB) platform based on the interfacial assembly of nanoparticle-surfactants (NPSs) that enables spontaneous or field-induced formation of ion-conducting nanochannels, eliminating the need of ionophores or nanochannel-forming proteins. These nanoscopic channels emerge from packing defects in the jammed interfacial assemblies of the charged NPSs and support size and charge selective, hysteretic ion transport governed by interfacial electrostatics and dimensional constraints. The NPS-DIBs show short-term and long-term plasticity, hallmarks of neuromorphic behavior, that are mediated by the structural and chemical design of the bilayer. These assemblies establish a versatile, chemically tunable platform that couples soft-matter mechanics with interfacial ionic functionality, offering a robust foundation for soft iontronic systems.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Skin-stiffener interface stresses in composite stiffened panels

A model and solution method for determining the normal and shear stresses in the interface between the skin and the stiffener attached flange were developed. An efficient, analytical solution procedure was developed and incorporated in a sizing code for stiffened panels. The analysis procedure described provides a means to study the effects of material and geometric design parameters on the interface stresses. These stresses include the normal stress, and the shear stresses in both the longitudinal and the transverse directions. The tendency toward skin/stiffener separation may therefore be minimized by choosing appropriate values for the design variables. The most important design variables include the relative bending stiffnesses of the skin and stiffener attached flange, the bending stiffness of the stiffener web, and the flange width. The longitudinal compressive loads in the flange and skin have significant effects on the interface stresses.

Wang, J. T. S.↗

NASA NTRSDate not supplied

Experimental Impacts into Strength-Layered Targets: Ejecta Kinematics and Crater Morphometry

Impact craters can serve as probes of the subsurface structure of a planetary body and provide hints about a target's properties. Crater morphology, for example, can be used to estimate the thickness of a regolith layer above a more competent unit. Small lunar craters in the maria show a morphological progression from a simple bowl shape to flat-floored and concentric as crater diameter increases for a given regolith thickness. The final shape is a result of the subsurface flow-field initiated as the projectile transfers its energy and momentum to the target surface. In strength-layered targets, such as the lunar maria, the substrate modifies the flow field and thereby the excavation of the crater. Here we report on a series of experimental impacts into targets composed of a layer of loose sand above a stronger substrate. As we varied the sand's thickness, we imaged individual ejecta trajectories as the craters grew, from which we derived ejection-speed scaling relationships. In addition, we used a 3D scanner to construct topographic maps of the substrate, pre-impact target, and post-impact surface. This permitted us to examine the final craters' morphologies and morphometries with respect to the original stratigraphy of the target. As expected, craters became shallower and smaller as the sand's thickness decreased, transitioning from bowl-shaped to concentric as observed on the Moon. Subtle and important details show that the stronger substrate affected the subsurface flow-field by redirecting material upward and outward even when the interface was still well below the final crater's floor. Compared to the control target (loose sand only), the stronger substrate below the sand layer resulted in a much more complex pattern of ejecta. While most of the ejected material was still contained within a typical outward-moving curtain, a number of ejected particles moved along low-speed, high-angle (near 90°) trajectories. The number of these high-angle trajectories increased as the sand layer thinned, perhaps implying that self-secondary cratering would require the presence of a strong subsurface layer below the impact site. Such results refine our understanding of crater excavation in layered targets with implications for ejecta deposits and final crater shapes observed on the Moon.

Jennifer L B Anderson↗

NASA NTRS2010

Solid expellant plasma generator

An improved solid expellant plasma generator has been developed. The plasma generator includes a support housing, an electrode rod located in the central portion of the housing, and a mass of solid expellant material that surrounds the electrode rod within the support housing. The electrode rod and the solid expellant material are made of separate materials that are selected so that the electrode and the solid expellant material decompose at the same rate when the plasma generator is ignited. This maintains a point of discharge of the plasma at the interface between the electrode and the solid expellant material.

Stone, Nobie H.↗

DOE OSTI2025

Automated qualification data tool for high temperature metallic materials

This report describes a framework for storing, processing, and displaying qualification data for high temperature mechanical properties. The framework automates the process of generating design data from mechanical test results, for example for a data qualification report for the ASME Boiler \& Pressure Vessel Code. The framework has three parts: a data storage model with common formats for several types of typical mechanical property tests, a backend based on the \pycreep Python library for correlating and extrapolating the data to generate design material properties and allowable stresses, and a demonstration user interface for displaying, sorting, and filtering the data and exploring different options for modeling the design mechanical properties. The report discusses the options available for data processing, with illustrations from real test data on Alloy 617, Alloy 709, Alloy 740H, and Laser-Powder Bed Fusion 316H. The framework is complete for ASME type data analysis and will be used to store test data generated by the Department of Energy, Office of Nuclear Energy, Advanced Materials and Manufacturing Technologies sponsored qualification programs. Future work could extend the tool to other types of material properties and/or expand the demo user interface to make it accessible across the AMMT program.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Triplet Exciton Sensitization of Silicon Mediated by Defect States in Hafnium Oxynitride

Singlet exciton fission has the potential to increase the efficiency of crystalline silicon solar cells beyond the conventional single junction limit. Perhaps the largest obstacle to achieving this enhancement is uncertainty about energy coupling mechanisms at the interfaces between silicon and exciton fission materials such as tetracene. Here, the previously reported silicon‐hafnium oxynitride‐tetracene structure is studied and a combination of magnetic‐field‐dependent silicon photoluminescence measurements and density functional theory calculations is used to probe the influence of the interlayer composition on the triplet transfer process across the hafnium oxynitride interlayer. It is found that hafnium oxide interlayers do not show triplet exciton sensitization of silicon, and that nitrogen content in hafnium oxynitride layers is correlated with enhanced sensitization. Calculation results reveal that defects in hafnium oxynitride interlayers with higher nitrogen content introduce states close to the band‐edge of silicon, which can mediate the triplet exciton transfer process. Some defects introduce additional deleterious mid‐gap states, which may explain observed silicon photoluminescence quenching. These results show that band‐edge states can mediate the triplet exciton transfer process, potentially through a sequential charge transfer mechanism.

36 MATERIALS SCIENCE↗

DOE OSTI2026

A parametric study of slow dynamic nonlinear elasticity with comparisons to models

Several phenomenological models that aspire to quantitative description of anomalous nonlinear mesoscopic elasticity are reviewed and compared with laboratory measurements. This class of nonlinearity, best known perhaps for slow dynamics and aging, is seen widely in imperfectly consolidated granular solids but is not well understood. Typical slow dynamic tests show that a modest conditioning oscillatory "pump" strain depresses material stiffness, which then recovers like the logarithm of time after conditioning ceases. Several phenomenological models based on physical arguments have been proposed that predict the material stiffness response to arbitrary pump strain histories during conditioning and recovery. Approximate closed form and numerical solutions to the models are presented that predict the quantitative influence of three key pump parameters: the pump's strain amplitude, the pump's strain rate, and the pump’s duration. Laboratory measurements on Berea sandstone, concrete and a confined single aluminum bead find that slow dynamic responses are linear in pump strain and independent of pump frequency. Measurements also show that, after pump-off, stiffness recovers over times far longer than the pump duration. These observations and others are compared to model predictions. One of the considered models, based on a picture of fast brittle damage and slow healing, successfully matches all these behaviors.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Spin-glass state in nickelate superconductors

Magneto-optical measurements in La 0.8 Sr 0.2 NiO 2 and Nd 0.825 Sr 0.175 NiO 2 reveal an intriguing new facet of infinite-layer nickelate superconductors: the onset of spin-glass behavior at a temperature far exceeding the superconducting critical temperature T c . This discovery sharply contrasts with copper oxide superconductors, where magnetism and superconductivity remain largely exclusive. Moreover, the magnitude and onset temperature of the polar Kerr effect in Nd 0.825 Sr 0.175 NiO 2 fabricated on SrTiO 3 and (LaAlO 3 ) 0.3 (Sr 2 TaAlO 6 ) 0.7 substrates differ dramatically, while T c does not.

FOS: Physical sciences↗

DOE OSTI2025

32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery

Abstract Large language models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 32 total projects developed during the second annual LLM hackathon for applications in materials science and chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

Computer Science↗

DOE OSTI2025

How Interface Evolution at the Nanoscale Dictates Protonic Ceramic Cell Behavior

Understanding the effects of heterointerfaces in nanodevices remains a challenge in interface engineering for systems applied in solid oxide fuel cells, catalysis, sensors, and memristors [1]. Previous studies have shown that the presence of interfaces in ceramic oxide nanodevices affects their impedance properties compared to bulk systems [2]. In this work, we analyze a thin-film model system designed to study the interfaces between representative electrode and electrolyte materials employed in protonic ceramic electrochemical cells for the reversible conversion of hydrogen o electricity. The investigated device features a 21-layer architecture that alternates between an electrode material PBSCF (PrBa 0.5 Sr 0.5 Co 1.5 Fe 0.5 O 5+ϵ ) and a proton-conducting electrolyte BZY (BaZr 0.8 Y 0.2 O 3-δ ), with uniform 20 nm thickness for each layer. Here, the device was fabricated using Pulsed Laser Deposition (PLD) and supported on a conductive Nb-doped STO (Nb-SrTiO 3 ) substrate.

dos Santos, Gabriel T. [Northwestern University, E↗