Deep-Learning-Enabled Fast Optical Identification and Characterization of 2D Materials
Not provided.
Chemistry↗
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Results for “advanced materials characterization”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Understanding Differences in Water Adsorption Isotherms: Structural Variations, Force Fields, and Monte Carlo Simulation Approaches
Accurate prediction of water adsorption in micro- and mesoporous materials with hydrophobic pores is essential for the design and characterization of advanced adsorbent materials for separation and energy applications. Here, we assess the reproducibility and consistency of water adsorption isotherms in two microporous all-silica MFI zeolite structures (MFI-K and MFI-O) using two different zeolite force fields and three simulation approaches: grand canonical Monte Carlo (GCMC), Gibbs ensemble Monte Carlo (GEMC), and transition matrix Monte Carlo (TMMC). We demonstrate that consistent treatment of the bulk fluid phase in GCMC and TMMC simulations is critical for reconciling isotherms across methods, and we construct simulation-based equations of state for the TIP4P water model to enable rigorous fugacity-to-pressure conversions. Large shifts in the isotherms are observed for two zeolite force fields developed using different parametrization strategies, with the GCS force field representing implicitly a defect-containing all-silica zeolite, whereas the TraPPE-zeo force field accurately represents an essentially defect-free all-silica zeolite. While water in the van Koningsveld structure of MFI exhibits a first-order phase transition and condensation-like step for adsorption near room temperature, water in the Olson structure of MFI displays continuous adsorption, attributed to differences in the adsorption free energy landscapes. Structural analysis reveals that small geometric variations, particularly Si–O–Si bond angles near the strongest adsorption sites, lead to these substantial differences in adsorption behavior. Furthermore, our results highlight the sensitivity of simulated water adsorption isotherms in hydrophobic frameworks to seemingly small differences in the framework structures, force field parametrization, and simulation approaches.
36 MATERIALS SCIENCE↗
Recent Advancements in Tools and Techniques for Materials Characterization in the EML [Slides]
Abstract not provided.
36 MATERIALS SCIENCE↗
Benchmarking Advanced Water Splitting Technologies: Best Practices in Materials Characterization
The high-level project goal is to create a comprehensive Best Practices benchmarking framework at the materials, component, device and systems levels for advanced water splitting technologies. All advanced water splitting pathways covered under the HydroGEN Energy Materials Network (EMN) Consortium, which include advanced high and low temperature electrolysis of water, photoelectrochemical (PEC) water splitting and solar thermochemical hydrogen (STCH) need these best practices to advance materials discovery. These practices will also aid the H2@Scale DOE initiative to accomplish their goals of large-scale H2 production.
08 HYDROGEN↗
Advances in solid-state batteries: Materials, interfaces, characterizations, and devices
Solid-state batteries with features of high potential for high energy density and improved safety have gained considerable attention and witnessed fast growing interests in the past decade. Significant progress and numerous efforts have been made on materials discovery, interface characterizations, and device fabrication. Further, this issue of MRS Bulletin focuses on the current state of the art of solid-state batteries with the most important topics related to the interface issues, advanced characterizations, and electrode chemistries, aiming to provide a comprehensive perspective for the interface and characterization challenges for high-performance solid-state battery devices.
25 ENERGY STORAGE↗
Complete Optimization of LPBF Ni-Based Alloys Down-Selected from FY23 Candidate Materials Including, Thermodynamic Modeling, Sample Fabrication and Microstructure Characterization
The goal of the Advanced Materials and Manufacturing Technologies (AMMT) program is to accelerate the incorporation of new materials and manufacturing technologies into advanced nuclear-related systems. Although 316H stainless steel fabricated by laser powder bed fusion (LPBF) has already been identified as an alloy that could have a significant effect on various reactor technologies, many other materials and manufacturing techniques are being evaluated. Nickel-based alloys typically offer higher-temperature capabilities compared with advanced stainless steels, and previous reports looked at three Ni-based alloy categories: low-Co alloys with a potential use close to the reactor core; high-temperature, high-strength alloys; and molten salt–compatible alloys. In the first category, alloy 718 was studied in 2023, and creep testing at 600°C and 650°C revealed that the alloy exhibited great creep strength after the appropriate annealing but had low ductility. Advanced characterization was recently conducted to highlight the presence of strengthening γ' and γ" precipitates after creep testing and to show that brittle phases at grain boundaries might explain the low ductility of LPBF 718 compared with wrought 718. For the high-temperature, high-strength alloys, previously purchased powders of alloys 617, 230, and 625 were used to assess the printability of these three solution-strengthened alloys. Hot cracking could not be suppressed for alloy 617 and 230, and it was shown that these cracks, which were elongated along the build direction (BD), had a drastic effect on the ductility of alloy 230 at room temperature when specimens were machined perpendicular to the BD. On the contrary, LPBF printing of crack-free alloy 625 was achieved using similar printing parameters, and the alloy looked like a promising candidate for various reactor technologies. The fabrication of alloy 282 by LPBF, a γ'-strengthened alloy with great creep strength up to 800°C, was performed in 2023, and x-ray computed tomography (XCT) scans of the alloy before and after creep testing at 750°C were carried out to assess the effect of flaws on the alloy’s creep behavior. Correlation between the flaws’ volume fraction, creep ductility, and creep lifetime could be established, and future work on LPBF 625 will take full advantage of in situ printing data and ex situ XCT scans to accelerate the alloy qualification. Finally, single track experiments were performed on the two alloys previously identified as good molten salt–resistant, Ni-based candidates: Hastelloy N and 244. Various laser parameters were considered, and cracking was not observed for either of the two alloys. Wrought 244 offers better creep strength and molten salt compatibility than alloy 625, and future work will aim to establish the alloy LPBF processing window.
36 MATERIALS SCIENCE↗
Novel Chalcopyrites for Advanced Photoelectrochemical Water Splitting
With the support of DoE’s EERE office, our team has established a unique tool-chest of capabilities, including theoretical modeling (Lawrence Livermore National Laboratory: LLNL), state-of-the-art synthesis (Hawaii Natural Energy Institute: HNEI, Stanford, and the National Renewable Energy Laboratory: NREL) and advanced materials and interfaces characterization (University of Nevada, Las Vegas: UNLV, and Lawrence Berkeley National Laboratory: LBNL), to accelerate the development of high efficiency and durable chalcopyrite materials for advanced photoelectrochemical (PEC) water splitting. Using this synergistic approach, we have successfully created new wide bandgap chalcopyrite photocathodes generating over 10 mA/cm 2 , developed innovative strategies to protect them from corrosion, and engineered novel integration methods to circumvent thin film materials mechanical, chemical and thermal incompatibility. In Task 1 “Modeling and synthesis of chalcopyrite photocathodes”, we expanded our library of wide bandgap chalcopyrites for PEC water splitting. With support from LLNL’s “Computational Materials Diagnostics and Optimization of PEC Devices”, LBNL’s “photophysical” and NREL’s “I-III-VI Compound Semiconductors for Water-Splitting” nodes, we investigated two new chalcopyrite candidates for PEC water splitting: Cu(In,Al)Se 2 and Cu(In,B)Se 2 . We also further developed ordered vacancy compounds, such as CuGa 3 Se 5 , with unprecedented durability during PEC waters splitting in acidic solutions. In Task 2 “Interfaces engineering for enhanced efficiency and durability”, we addressed both the non-ideal band-edge positions of chalcopyrites with respect to water redox potentials, as well as their chemical instability under PEC water splitting, with a buried-junctions approach. With help from NREL’s “High-Throughput Experimental Thin Film Combinatorial Capabilities” and “Corrosion Analysis of Materials” nodes, we engineered environmentally friendly n-type buffers, including Mn x Zn 1-x O, to adjust the chalcopyrite band-edge positions and achieved photovoltages as high as 925 mV. Also, we integrated non-precious catalytic-protecting layers, such as WO 3 , to enhance the water splitting long-term stability of chalcopyrite absorbers. Finally, in Task 3 “Hybrid photoelectrode device integration”, we proposed an innovative method to bond wide bandgap photocathodes onto narrow bandgap PV drivers at room temperature using conductive polymers. Our semi-monolithic approach addressed fundamental processing incompatibility issues, as both the photocathode and the PV driver are processed separately. Proof-of-concept whole-chalcopyrite tandems were obtained by consecutive exfoliation and transfer of fully integrated 1.85 eV CuGa 3 Se 5 and 1.13 eV CuInGaSe 2 stacks from their Mo/SLG substrates onto a new single FTO host substrate.
08 HYDROGEN↗
Development and characterization of Powder Metallurgy (PM) 2XXX series Al alloy products and Metal Matrix Composite (MMC) 2XXX Al/SiC materials for high temperature aircraft structural applications
The results of a series of material studies performed by the Lockheed Aeronautical Systems Company over the time period from 1980 to 1991 are discussed. The technical objective of these evaluations was to develop and characterize advanced aluminum alloy materials with temperature capabilities extending to 350 F. An overview is given of the first five alloy development efforts under this contract. Prior work conducted during the first five modifications of the alloy development program are listed. Recent developments based on the addition of high Zr levels to an optimum Al-Cu-Mg alloy composition by powder metallurgy processing are discussed. Both reinforced and SiC or B4C ceramic reinforced alloys were explored to achieve specific target goals for high temperature aluminum alloy applications.
Chellman, D. J.↗
Overview of advanced plasma-facing materials testing for Fusion Pilot Plants at DIII-D
Characterization and testing of advanced plasma-facing materials (PFMs) for Fusion Pilot Plants (FPP) is being conducted at the DIII-D National Fusion Facility through the ongoing two-year FPP Candidate Materials Thrust. Year one tested 17 novel materials utilizing the Divertor Materials Evaluation System (DiMES), with samples analyzed pre- and post-experiment via SEM, EDS, and confocal microscopy. Repeatable reference discharges were developed to ensure uniformity between experiments, including a new strike-point rastering scenario to provide more uniform heat/particle flux across DiMES during ELMing H-mode discharges. Various sample geometries and temperatures were used to achieve FPP-relevant conditions, including samples angled 10° towards the incident plasma flux and pre-heating up to 500 °C. The first exposure of liquid lithium (Li) capillary porous structures in a tokamak demonstrated uniform emission of Li vapor and suppression of Li droplets in H-mode when preheated to 350 °C. Dispersoid-strengthened W with 1 wt% TaC, TiC, and ZrC exposed to H-mode showed cracking and dispersoid ejection for all varieties except TiC, providing a clear down-selection. Ultra-high temperature ceramic materials TiB 2 and ZrB 2 showed minimal degradation under L-mode exposure. Silicon carbide (SiC) fiber composites showed arcing along edges, while CVD SiC remained pristine. Atmospheric plasma-sprayed W and SiC coatings endured H-mode exposure without macroscopic delamination; SiC exhibited granular ejection, while W showed increased outgassing. Additional W-based alloys were stress tested in H-mode, including Ni-based W heavy alloys, W f SiC f /W composites, W multi-principle element alloys, and functionally-graded W/SiC, to varying degrees of success.
DIII-D↗
Unveiling Feedstock Variability: Insights into Corn Stover Conversion - Part I: Physicochemical Properties and Self-Degradation
Transforming agricultural waste into biofuels and bioproducts is crucial to advancing a low-carbon bioeconomy. However, the inherent variability in the composition and quality introduces uncertainties in the conversion efficiency and poses challenges in process development. Through integrating a high-throughput conversion system, material characterization techniques, and advanced data analysis tools, this study investigates the variability of corn stover and its subsequent impacts on carbohydrate conversion. The findings reveal that indoor storage substantially reduces the moisture and ash content and soil contamination, while other properties remain largely unchanged. Self-degradation due to microbial activity during storage decreases the carbohydrate content of corn stover but enhances glucose and xylose yields. A negative correlation is observed between sugar yields and lignin content across samples with varying ash and moisture content. The inhibitory effect of lignin diminishes in self-degraded samples likely due to the disrupted cell wall structure. Although self-degradation slightly increases cellulose crystallinity, no strong correlation was observed between the crystallinity and sugar yield. Hot water pretreatment under mild conditions effectively mitigates inherent variability, consistently improving the sugar yield from corn stover by up to 50%. By elucidating the feedstock variability and its impact on convertibility, these findings offer valuable insights into appropriate feedstock handling and management, highlighting potential strategies to address variability challenges.
09 BIOMASS FUELS↗
Addressing Critical Problems in Materials Science Through Multiscale and Multimode Characterization (Project 1); Characterization and Optimization of Novel Triple-Conducting Oxide Materials for Energy Applications (Project 2) (CRADA Final Report)
PROJECT 1: Address critical problems in materials science and simultaneously advance the state-of-the-art in multiscale and multimode characterization using the combined advanced analytical capabilities and expertise of Colorado School of Mines (CSM) and the National Renewable Energy Laboratory (NREL). The primary effort of the Phase I of this CRADA is to establish the International Center for Multiscale Characterization using shared resources at both NREL and CSM. Phase II will focus on capability development and marketing, choosing candidate materials science issues in the areas of structure imaging, chemical composition mapping, and correlating properties and performance of materials for impact in energy-related, environmental and critical materials areas. The CRADA will be modified to include specific topics of concern in materials science to industry member partners. Advanced analytical capabilities and expertise at CSM and NREL will be used to advance materials understanding and performance through characterization of multiscale phenomena including structural imaging, chemical composition mapping, and other techniques correlating properties and performance of materials. PROJECT 2: As part of the International Center for Materials Characterization, work under Modification #1 will be led by Colorado School of Mines (CSM), working in collaboration with NREL staff to mentor and advise CSM postdoctoral researchers on set up of diffusion annealing experiments. The purpose of the modification is to provide for NREL staff to mentor and advise CSM postdoctoral researchers on set up of diffusion annealing experiments, including mentoring and advising the CSM-NREL team on proper Secondary Ion Mass Spectrometry (SIMS) data analysis as needed. SIMS measurements of 10-20 samples will be performed at NREL during the project duration.
08 HYDROGEN↗
Advances in scientific literature mining for interpreting materials characterization
Abstract Using synchrotron light sources, such as the National Synchrotron Light Source II at Brookhaven National Laboratory, scientists in fields as diverse as physics, biology, and materials science, identify the atomic structure, chemical composition, or other important properties of varied specimens. x-ray spectroscopy from light sources is particularly valuable for materials research with vast information available about reference spectra in the scientific literature. However, as the technique is applicable to many science domains, searching for information about select x-ray spectroscopy spectra is impeded by the sheer number of publications. Moreover, useful information about the context of an experiment or figures presented in papers can be buried among the details, which takes time to assess. This work presents a scientific literature mining system that supports data acquisition, information extraction, and user interaction for referencing x-ray spectra identification and spectral interpretation. The goal is to provide efficient access to useful spectral data to researchers who may spend only a few days at a synchrotron light source. With this system, users browse a classification tree for papers arranged according to x-ray spectroscopic methods, chemical elements, and x-ray absorption spectroscopy edges. Relevant figures are extracted with sentences from the paper that explain them, known as ‘figure explanatory text.’ Notably, this system focuses on semantic aspects (logical analysis) to find figure explanatory text using deep contextualized word embeddings techniques and contains an interface to obtain labeled data from domain experts that is used to evaluate and improve the model.
Park, Gilchan (ORCID:0000000201536646)↗
Editorial: Advanced in situ characterization of biological interfaces and materials
Rapid changes are occurring on this dynamic planet–in 2020 anthropogenic mass was reported to not only match but exceed the mass of natural origins (Elhacham et al., 2020). These indications do not bold well for humanity in the coming generations, as we face 2 degree overall temperature increases over the next 5 years, CO 2 is spewing into the atmosphere at the Gigatonne (Gt) rate per year without any signs of mitigation in the foreseeable future, ocean water levels are rising to incredible levels, drinking water availability is disappearing, humanity is heavily reliant on the “drill-and-fill” culture, and two wars are currently being fought in Gaza and Ukraine (Carr et al., 2024). And even with these pressures, humanity continues to eke out impressive scientific and technological achievements in the recent past including mRNA vaccines to counter a global pandemic (Hogan and Pardi, 2022) and the development of CRISPR-Cas9 drugs (Parums, 2024). All these developments are only possible from the incremental methodological improvements taking place presently.
36 MATERIALS SCIENCE↗
Characterization of the dimensional stability of advanced metallic materials using an optical test bench structure
The dimensional stability of low-density high specific-strength metal-matrix composites (including 30 vol pct SiC(p)/SXA 24-T6 Al, 25 vol pct SiC(p)/6061-T6 Al, 40 vol pct graphite P100 fiber/6061 Al, 50 vol pct graphite P100 fiber/6061 Al, and 40 vol pct P100 graphite fiber/AZ91D Mg composites) and an Al-Li-Mg metal alloy was evaluated using a specially designed five-strut optical test bench structure. The structure had 30 thermocouple locations, one retroreflector, one linear interferometer multilayer insulation, and various strip heaters. It was placed in a 10 exp -7 torr capability vacuum chamber with a laser head positioned at a window port, and a laser interferometer system for collecting dimensional change data. It was found that composite materials have greater 40-C temporal dimensional stability than the AL-Li-Mg alloy. Aluminum-based composites demonstrated better 40-C temporal stability than Mg-based composites.
Hsieh, Cheng↗
Plasma and trap-based techniques for science with antimatter
Positrons (i.e., antielectrons) find use in a wide variety of applications, and antiprotons are required for the formation and study of antihydrogen. Available sources of these antiparticles are relatively weak. To optimize their use, most applications require that the antiparticles be accumulated into carefully prepared plasmas. We present an overview of the techniques that have been developed to efficiently accumulate low energy antiparticles and create, in particular, tailored antiparticle plasmas. Techniques are also described to create tailored antiparticle beams. Many of these techniques are based on methods first developed by the nonneutral plasma community using electron plasmas for increased data rate. They have enabled the creation and trapping of antihydrogen, have been critical to studies of positron and positronium interactions with matter, including advanced techniques to characterize materials and material surfaces, and have led to the creation and study of the positronium molecule. Rather than attempting to be comprehensive, we focus on techniques that have proven most useful, applications where there has been significant, recent progress, and areas that hold promise for future advances. Examples of the latter include the ever more precise comparisons of the properties of antihydrogen and hydrogen, tests of gravity using antihydrogen and positronium atoms, and efforts to create and study phases of the many-electron, many-positron system.
36 MATERIALS SCIENCE↗
Towards Validation of Advanced Accelerated Stress Testing Protocols through Failure Analysis and Materials Characterization
As the lifetime of photovoltaic modules increases toward the goal of 50 years, accelerated stress testing is critical to assessing the viability of newer, improved, and often cheaper materials in the field. However, the validation of accelerated testing to reproduce field failure has remained elusive. The recent developments of more advanced stress testing protocols utilizing sequential and combined stressors have provided another opportunity for validation. Using a suite of mechanical, chemical, and structural characterization methods we report the development of our approach using a known bad backsheet “AAA.” We then apply this approach to PVDF-based backsheets to further confirm the generalizability of this approach. The outcome of this work is two-fold: (1) validation of advanced accelerated testing protocols which will enable the prediction of field failures in new materials, and (2) deeper insights into the degradation mechanisms observed through the extensive characterization allowing for improved materials engineering and development.
accelerated aging↗
FY26 Progress Report on the Operation of the Activated Materials Laboratory at the Advanced Photon Source as a Nuclear Science User Facilities Partner Facility
The Activated Materials Laboratory (AML), located in the Long Beamline Building of the Advanced Photon Source (APS) at Argonne National Laboratory (ANL), provides a centralized radiological capability for preparing, handling, and supporting synchrotron experiments on activated materials. As a Nuclear Science User Facilities (NSUF) partner facility, the AML enables the receipt of radioactive shipments, open-form sample handling, encapsulation, transport of specimens to and from APS beamlines, and experimentation with dedicated equipment. The partnership includes the APS 1-ID and 20-ID beamlines, which provide high-energy x-ray scattering, tomography, and diffraction microscopy techniques for ex-situ, in-situ, and grainresolved three-dimensional (3D) characterization. All samples supported through the AML and partner beamlines must meet radiological limits of less than 100 mrem/h at 30 cm. This FY26 progress report summarizes the first full year of AML operations as an NSUF partner facility and highlights progress in both user support and capability development. By the end of FY26, the AML had received a total of 10 NSUF-awarded projects, including 2 Consolidated Innovative Nuclear Research (CINR), 7 Rapid Turnaround Experiment (RTE), and 1 Super RTE projects. Beamtime was fully delivered for 3 RTE projects and partially delivered for 1 CINR project, demonstrating successful workflows for receipt, encapsulation, beamline transfer, and radiological experiment execution. These efforts demonstrated safe radiological experiments at APS beamlines for samples with dose rates above the historical 5 mrem/h threshold and now up to 100 mrem/h at 30 cm, marking an important milestone for neutron-irradiated materials research. During FY26, the AML also expanded its experimental capabilities. A Psylotech xTS load frame with in-grip rotation was deployed for room-temperature mechanical testing with threedimensional x-ray characterization during interrupted loading. A Linkam TS1500V vacuum heater was commissioned for thermally driven studies, and temperature calibration experiments were performed to establish specimen-relevant thermal profiles. In parallel, a customized split-tube furnace for high-temperature mechanical testing entered commissioning, and initial work began on robotic sample handling to reduce worker dose and improve operational efficiency. Data workflow and beamline operations continued to mature. Together, these developments demonstrate that the AML is becoming a unique national resource for safe, efficient, and scientifically advanced characterization of activated materials at the APS.
Zhang, Xuan↗
PROTECT: Production and Reuse of Thermally Efficient Ceramic Thermal Protection Systems
PROTECT (Production and Reuse Of Thermally Efficient Ceramic TPS) is a NASA Early Career Initiative focused on developing the next generation of reusable ceramic thermal protection systems (TPS). This project addresses key challenges in TPS design, including temperature capability, thermal stability, and refurbishment time, by integrating novel material development with predictive modeling. Leveraging enhanced capabilities in NASA’s Porous Microstructure Analysis (PuMA) software, PROTECT introduces new modeling tools to predict the thermal and mechanical behavior of fibrous ceramic materials. These tools enable accurate prediction of performance metrics such as thermal conductivity and structural integrity, reducing reliance on costly physical testing. Preliminary advances in these areas will be presented. To support model validation, PROTECT is building a comprehensive database of raw material properties using advanced characterization techniques, including micro computed tomography (CT) scanning in collaboration with the University of Illinois Urbana-Champaign (UIUC). The presentation will detail the sampling workflows and analysis methods used to generate this detailed microstructural data and how it is used to develop improved models in PuMA. This multi-center collaboration, spanning NASA (JSC, ARC, KSC, GRC), Oak Ridge National Laboratory, UIUC, and SpaceX, is developing tailored TPS solutions for LEO, lunar, and Martian missions. By bridging heritage systems with the demands of modern spaceflight, PROTECT contributes to the advancement of reusable TPS technologies for future exploration missions.
Propulsion, Refractory, and Coating Materials↗