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DOE OSTI2025

Glancing Angle Deposition in Gas Sensing: Bridging Morphological Innovations and Sensor Performances

Glancing Angle Deposition (GLAD) has emerged as a versatile and powerful nanofabrication technique for developing next-generation gas sensors by enabling precise control over nanostructure geometry, porosity, and material composition. Through dynamic substrate tilting and rotation, GLAD facilitates the fabrication of highly porous, anisotropic nanostructures, such as aligned, tilted, zigzag, helical, and multilayered nanorods, with tunable surface area and diffusion pathways optimized for gas detection. This review provides a comprehensive synthesis of recent advances in GLAD-based gas sensor design, focusing on how structural engineering and material integration converge to enhance sensor performance. Key materials strategies include the construction of heterojunctions and core–shell architectures, controlled doping, and nanoparticle decoration using noble metals or metal oxides to amplify charge transfer, catalytic activity, and redox responsiveness. GLAD-fabricated nanostructures have been effectively deployed across multiple gas sensing modalities, including resistive, capacitive, piezoelectric, and optical platforms, where their high aspect ratios, tailored porosity, and defect-rich surfaces facilitate enhanced gas adsorption kinetics and efficient signal transduction. These devices exhibit high sensitivity and selectivity toward a range of analytes, including NO2, CO, H2S, and volatile organic compounds (VOCs), with detection limits often reaching the parts-per-billion level. Emerging innovations, such as photo-assisted sensing and integration with artificial intelligence for data analysis and pattern recognition, further extend the capabilities of GLAD-based systems for multifunctional, real-time, and adaptive sensing. Finally, current challenges and future research directions are discussed, emphasizing the promise of GLAD as a scalable platform for next-generation gas sensing technologies.

Chemistry↗

DOE OSTI2026

Report on the Update and Codification of Expert Knowledge into ASTM Standard Practice E521

The overall purpose of the Grand Challenge Integrated Research Project (IRP), Accelerating the Qualification of Materials to Enable Rapid Deployment of Advanced Reactors, is to fulfill several objectives. The first objective is to complete and demonstrate/establish the process for predicting the microstructure and properties of structural materials in reactor and at high doses using ion irradiation as an accurate predictive tool for assessing behavior under reactor irradiation. The second objective is for this process to be adopted as part of an ASTM standard, and to work with the US Nuclear Regulatory Commission to utilize this standard in licensing decisions on advanced reactor designs for which such data are nonexistent or impractical to achieve. The need for standardized procedures is apparent based on the outcomes of a recent round-robin experiment from laboratories using ion beams for radiation damage studies and the roadmap for ion beam technologies to address challenges for the advancement of nuclear energy technologies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Report on the Update and Codification of Expert Knowledge into ASTM Standard Practice E521

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2012

NDT and SHM of Carbon Fiber Composites using Linear Drive MWM-Arrays

Carbon fiber composites are used in a wide range of structural applications due to their excellent specific strength and stiffness. However, the anisotropic mechanical and electrical properties associated with the fibers within each composite layer present challenges, and opportunities, for Nondestructive Testing (NDT) methods used to characterize and assess the structure condition. This includes composite condition after manufacture (such as fiber orientation and density, porosity, delamination, and bond strength) and during usage (such as damage from impact, fiber breakage, thermal exposure or applied stress). Ultrasonic and thermographic methods can address some of these challenges, but eddy current methods provide an alternative method for composite structures that contain a conducting material, such as carbon fibers or a metallic liner. This presentation reviews recent advances in the development of eddy current sensors and arrays for carbon fiber composite NDT and Structural Health Monitoring (SHM) applications. The focus is on eddy current sensor constructs with linear drive windings, such as MWM -Arrays, that induce currents primarily within the linear fibers of the composite. By combining this type of sensor construct with micromechanical models that relate composite constituent properties to measurable sensor responses, insight is obtained into the volumetric distribution of electrical properties within the composite and the associated manufacturing, damage, or strain conditions. With knowledge of the fiber layup, this MWM-Array technology is able to detect damage and strain/stress as a function of depth and fiber orientation. This work has been funded by NASA, NA V AIR and the Army for applications ranging from composite overwrapped pressure vessels (COPVs) to aircraft structures and rotorcraft blades. This presentation will specifically present background on the MWM-Array technology, results from the micromechanical modeling effort, and results from ongoing efforts for high resolution imaging and volumetric strain sensing.

Washabaugh, Andrew↗

DOE OSTI2026

Generative Models for Crystalline Materials

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and accelerating materials discovery. Early ML approaches primarily focused on constructing and screening large material spaces to identify promising candidates for various applications. More recently, research efforts have increasingly shifted toward generating crystal structures using end-to-end generative models. This review analyzes the current state of generative modeling for crystal structure prediction and de novo generation. It examines crystal representations, outlines the generative models used to design crystal structures, and evaluates their respective strengths and limitations. Furthermore, the review highlights experimental considerations for evaluating generated structures and provides recommendations for suitable existing software tools. Emerging topics, such as modeling disorder and defects, integration in advanced characterization, incorporating synthetic feasibility constraints, and model explainability are explored. Ultimately, this work aims to inform both experimental scientists looking to adapt suitable ML models to their specific circumstances and ML specialists seeking to understand the unique challenges related to inverse materials design and discovery.

Metni, Houssam [Karlsruhe Inst. of Technology (KIT↗

NASA NTRS2003

Sharp Refractory Composite Leading Edges on Hypersonic Vehicles

On-going research of advanced sharp refractory composite leading edges for use on hypersonic air-breathing vehicles is presented in this paper. Intense magnitudes of heating and of heating gradients on the leading edge lead to thermal stresses that challenge the survivability of current material systems. A fundamental understanding of the problem is needed to further design development. Methodology for furthering the technology along with the use of advanced fiber architectures to improve the thermal-structural response is explored in the current work. Thermal and structural finite element analyses are conducted for several advanced fiber architectures of interest. A tailored thermal shock parameter for sharp orthotropic leading edges is identified for evaluating composite material systems. The use of the tailored thermal shock parameter has the potential to eliminate the need for detailed thermal-structural finite element analyses for initial screening of material systems being considered for a leading edge component.

Walker, Sandra P.↗

NASA NTRS1978

Automated predesign of aircraft

Program uses multistation structural-synthesis to size and design box-beam structures for transport aircraft. Program optimizes static strength and scales up to satisfy fatigue and fracture criteria. It has multimaterial capability and library of materials properties, including advanced composites. Program can be used to evaluate impact on weight of variables such as materials, types of construction, structural configurations, minimum gage limits, applied loads, fatigue lives, crack-growth lives, initial crack sizes, and residual strengths.

Poe, C. C., Jr.↗

DOE OSTI2024

Revealing the structure and electronic characteristics of Te-rich threshold switching materials for high-density integration

Ovonic threshold switching (OTS) selectors play an important role in the integration of advanced three-dimensional memory. Selectors based on tellurium (Te)-containing materials exhibit significant promise due to their low threshold voltages and superior consistency. Here we have theoretically studied the structure and electronic properties of a typical OTS material, amorphous GeTe 6 , to explore the switching mechanisms using ab initio molecular dynamics simulations. The results indicate that Ge atoms tend to bond with Te atoms, forming stable chemical bonds. The Te-centered clusters are predominantly in the form of distorted octahedrons, while the Ge-centered clusters are in the form of both octahedrons and tetrahedrons. Notably, the proportion of tetrahedrons within the 4-coordinated Ge-centered clusters reaches an impressive 66.9%. These tetrahedrons are randomly dispersed throughout the simulated cell, leading to a stable amorphous configuration. The mid-gap state observed in the mobility bandgap originates from the atomic chain composed of both over-coordinated Ge and Te atoms. It is the inherent stability of the chemical environment within amorphous GeTe 6 that enables it to maintain its amorphous phase under a repeated threshold voltage, a characteristic that distinguishes it from non-OTS materials, such as amorphous tellurium. Furthermore, our findings provide an in-depth understanding of the structure and electronic characteristics of amorphous GeTe 6 , which can promote the design and application of the Te-rich threshold switching materials.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Spectroelectrochemical insights into the intrinsic nature of lead halide perovskites

Abstract Lead halide perovskites have emerged as a new class of semiconductor materials with exceptional optoelectronic properties, sparking significant research interest in photovoltaics and light-emitting diodes. However, achieving long-term operational stability remains a critical hurdle. The soft, ionic nature of the halide perovskite lattice renders them vulnerable to various instabilities. These instabilities can be triggered by factors such as photoexcitation, electrical bias, and the surrounding electrolyte/solvent or atmosphere under operating conditions. Spectroelectrochemistry offers a powerful approach to bridge the gap between electrochemistry and photochemistry (or spectroscopy), by providing a comprehensive understanding of the band structure and excited-state dynamics of halide perovskites. This review summarizes recent advances that highlight the fundamental principles, the electronic band structure of halide perovskite materials, and the photoelectrochemical phenomena observed upon photo- and electro-chemical charge injections. Further, we discuss halide instability, encompassing halide oxidation, vacancy formation, ion migration, degradation, and sequential expulsion under electrical bias. Spectroelectrochemical studies that provide a deeper understanding of interfacial processes and halide mobility can pave the way for the design of more robust perovskites, accelerating future research and development efforts. Graphical Abstract

Min, Seonhong↗

NASA NTRS1984

The trend of future gas turbine technology

Future gas turbine technology will be based on contributions to the technology base being made today. At the NASA Lewis Research Center in Cleveland, OH, research is being conducted on turbomachinery system components and in a number of associated disciplines to advance the technology of aviation turbofan and torbojet engines. Areas of research include compressors, turbines, internal flow analysis, combustion, fuels, materials, structures, bearings, seals, lubrication, dynamics and controls, and instrumentation. A review of the research directions being taken in these areas and the steady advances being made provides a reasonable glimpse at gas turbine technology of the future.

Hartmann, M. J.↗

DOE OSTI2023

High-Strength, High-Ductility, High Entropy Alloys with High-Efficiency Native Oxide Solar Absorbers for Concentrating Solar Power Systems

This EPSCoR Project has been investigating the synergy between the excellent high-temperature mechanical behavior of FeMnNiAlCr high entropy alloys (HEA) and the high solar absorptance of their native oxides for high efficiency concentrated solar thermal power (CSP) systems working at >700°C. While HEAs have attracted substantial interest in recent years, most investigations have focused on their applications as structural materials rather than functional materials. This EPSCoR project discovered that FeMnNiAlCr HEAs can potentially be applied synergistically as both a structural and functional material for high-efficiency concentrating solar thermal power (CSP) systems working at >700°C. The HEA itself would be used in high-temperature tubing to carry molten salts or supercritical CO 2 , while its surface oxide would act as a high-efficiency solar thermal absorber. With Fe and Mn being the major components in these HEAs (adding up to ~70 at.% of the alloy), these materials are much more cost-effective than the Ni-based superalloys currently being investigated for high-temperature CSP systems. Through this research, these Fe-Mn based HEAs have demonstrated yield strengths 2-3x greater than that of stainless steel at 700°C and a creep lifetime >800 h at 700ºC under a typical CSP tubing mechanical load of 35 MPa. Their Mn-rich surface oxides maintain a high optical-to-thermal conversion efficiency of ~87% under 1000x solar concentration ratio for 20 simulated day-night thermal cycles between 750ºC and room temperature. In preliminary corrosion studies, these HEAs have sustained immersion in unpurified bromide molten salts for 14 days at 750°C with <2% weight loss, in contrast to 70% weight loss from a 316 stainless steel reference. The simultaneous achievement of promising mechanical, optical, and thermochemical properties in this FeMnNiAlCr system opens the door to new applications of HEAs in solar energy harvesting. Partnerships with Ames Laboratory and Oak Ridge National Laboratory (ORNL) also advanced our understanding of the fundamental structure-property relationships through atomic scale material characterization and first-principles computational modeling. The key research results in this project can potentially be extended to other HEAs and their native oxides. In terms of applications, the proposed FeMnNiAlCr HEA/native oxide system could potentially exceed the mechanical and the optical performance of existing tubing and solar coating materials under EERE’s CSP program at lower cost, which also aligns well with the EPSCoR Science and Technology strategies of New Hampshire in boosting the deployment of renewable energy.

14 SOLAR ENERGY↗

DOE OSTI2023

High Efficiency PEM Water Electrolysis Enabled by Advanced Catalysts, Membranes and Processes

In this project, advanced membranes and catalysts were integrated into membrane electrode assembles (porous transport electrodes (PTE) or catalyst coated membranes (CCM)) leveraging precision coating methods to enable control of electrode structures and demonstration of the best component performance possible with these materials. Partner collaborations allowed for advanced characterization of the formed interfaces and degradation mechanisms. New methods of forming hydrogen recombination layers were also developed, to move away from wet chemistry processes that would have limited realization and implementation of the optimized electrode configurations in a commercial environment.

08 HYDROGEN↗

DOE OSTI2020

Advanced Microscopy and Spectroscopy for Probing and Optimizing Electrode-Electrolyte Interphases in High Energy Lithium Batteries (Final Scientific/Technical Report)

The earliest developed LiCoO 2 layered oxide cathode material sparked the development of other layered cathode materials, dominating the positive electrode materials for lithium ion batteries. Within the practical operating conditions of today, the current generation layered oxide materials do not meet the future energy storage demands of 350 Wh kg -1 at cell level. Li-rich layered oxide (LRLO) materials have the potential to meet the high energy demands. Unlike the classical layered oxides, LRLO materials exhibit capacities that go beyond conventional topotactic mechanistic theoretical values. Despite its high capacities, this material has several challenges (voltage fading, structural instability, sluggish kinetics, cathode electrolyte interphase instability, etc.) that must be overcome in order to reach commercialization. In the past five years, our research group has made great progress on developing advanced characterization techniques coupled with atomic scale modeling to properly characterize the dynamic phenomena that govern the performance limitations of LRLO materials. Furthermore, our efforts have guided the material synthesis and surface modification to improve capacity retention. By carefully controlling the oxygen activities through the creation of uniform oxygen vacancies, we were able to avoid structural decomposition in LRLO. Our materials deliver a discharge capacity as high as 306 mAh g -1 with an initial coulombic efficiency of 90.6%. Furthermore, they do not exhibit obvious capacity decay with a reversible capacity over 300 mAh g -1 after 100 cycles at 0.1 C-rate. Our approach demonstrates the critical needs for advanced diagnosis and characterization. It is through the in-depth understanding of these high voltage cathode materials at atomistic and molecular level and their dynamic changes during the operation of batteries; we can successfully formulate strategies to further optimize this class of cathode materials, especially for the voltage instabilities. The diagnostic tools developed here can also be leveraged to study anode materials such as Li metal anode. The challenge of probing Li metal is the low dose tolerance (high beam sensitivity) of Li metal. We will have to apply cryogenic method (low-temperature) and low-dose electron microscopy and specialized camera to enable the characterization of the lithium metal.

25 ENERGY STORAGE↗

DOE OSTI2020

3D printing of metal-based materials for renewable energy applications

Large-scale renewable energy must overcome conversion and storage challenges before it can replace fossil fuels due to its intermittent nature. However, current sustainable energy devices still suffer from high cost, low efficiency, and poor service life problems. Recently, porous metal-based materials have been widely used as desirable cross-functional platforms for electrochemical and photochemical energy systems for their unique electrical conductivity, catalytic activity, and chemical stability. To tailor the porosity length scale, ordering, and compositions, 3D printing has been applied as a disruptive manufacturing revolution to create complex architected components by directly joining sequential layers into designed structures. In conclusion, this article intends to summarize cutting-edge advances of metal-based materials for renewable energy devices (e.g., fuel cells, solar cells, supercapacitors, and batteries) over the past decade.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Nondestructive Analysis of Commercial Batteries

Electrochemical batteries play a crucial role for powering portable electronics, electric vehicles, large-scale electric grids, and future electric aircraft. However, key performance metrics such as energy density, charging speed, lifespan, and safety raise significant consumer concerns. Enhancing battery performance hinges on a deep understanding of their operational and degradation mechanisms, from material composition and electrode structure to large-scale pack integration, necessitating advanced characterization methods. These methods not only enable improved battery performance but also facilitate early detection of substandard or potentially hazardous batteries before they cause serious incidents. Here, this review comprehensively examines the operational principles, applications, challenges, and prospects of cutting-edge characterization techniques for commercial batteries, with a specific focus on in situ and operando methodologies. Furthermore, it explores how these powerful tools have elucidated the operational and degradation mechanisms of commercial batteries. By bridging the gap between advanced characterization techniques and commercial battery technologies, this review aims to guide the design of more sophisticated experiments and models for studying battery degradation and enhancement.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Advanced Materials for Energy-Water Systems: The Central Role of Water/Solid Interfaces in Adsorption, Reactivity, and Transport

The structure, chemistry, and charge of interfaces between materials and aqueous fluids play a central role in determining properties and performance of numerous water systems. Sensors, membranes, sorbents, and heterogeneous catalysts almost uniformly rely on specific interactions between their surfaces and components dissolved or suspended in the water-and often the water molecules themselves-to detect and mitigate contaminants. Deleterious processes in these systems such as fouling, scaling (inorganic deposits), and corrosion are also governed by interfacial phenomena. Despite the importance of these interfaces, much remains to be learned about their multiscale interactions. Developing a deeper understanding of the molecular- and mesoscale phenomena at water/solid interfaces will be essential to driving innovation to address grand challenges in supplying sufficient fit-for-purpose water in the future. In this Review, we examine the current state of knowledge surrounding adsorption, reactivity, and transport in several key classes of water/solid interfaces, drawing on a synergistic combination of theory, simulation, and experiments, and finally, provide an outlook for prioritizing strategic research directions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1972

Feasibility study of applying an advanced composite structure technique to the fabrication of helicopter rotor blades

The fabrication of helicopter rotary wings from composite materials is discussed. Two composite spar specimens consisting of compressively prestressed stainless steel liner over-wrapped with pretensioned fiberglass were constructed. High liner strength and toughness together with the prescribed prestresses and final sizing of the part are achieved by means of cryogenic stretch forming of the fiber wrapped composite spar at minus 320 F, followed by release of the forming pressure and warm up to room temperature. The prestresses are chosen to provide residual compression in the metal liner under operating loads.

Gleich, D.↗

NASA NTRS1985

Advanced fabrication techniques for hydrogen-cooled engine structures

Described is a program for development of coolant passage geometries, material systems, and joining processes that will produce long-life hydrogen-cooled structures for scramjet applications. Tests were performed to establish basic material properties, and samples constructed and evaluated to substantiate fabrication processes and inspection techniques. Results of the study show that the basic goal of increasing the life of hydrogen-cooled structures two orders of magnitude relative to that of the Hypersonic Research Engine can be reached with available means. Estimated life is 19000 cycles for the channels and 16000 cycles for pin-fin coolant passage configurations using Nickel 201. Additional research is required to establish the fatigue characteristics of dissimilar-metal coolant passages (Nickel 201/Inconel 718) and to investigate the embrittling effects of the hydrogen coolant.

Buchmann, O. A.↗