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At least 307 records · Page 17

Overview of the ACT program

NASA's Advanced Composites Program (ACT) was initiated in 1988. A National Research Announcement was issued to solicit innovative ideas that could significantly contribute to development and demonstration of an integrated technology data base and confidence level that permits cost-effective use of composite primary structures in transport aircraft. Fifteen contracts were awarded by the Spring of 1989 and the participants include commercial and military airframe manufacturers, materials developers and suppliers, universities, and government laboratories. The program approach is to develop materials, structural mechanics methodology, design concepts, and fabrication procedures that offer the potential to make composite structures cost-effective compared to aluminum structure. Goals for the ACT program included 30-50 percent weight reduction, 20-25 percent acquisition cost reduction, and provided the scientific basis for predicting materials and structures performance. This paper provides an overview of the ACT program status, plans, and selected technical accomplishments. Sixteen additional papers, which provide more detailed information on the research and development accomplishments, are contained in this publication.

Davis, John G., Jr.↗

Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation

The ever-increasing demand for novel materials with superior properties inspires retrofitting traditional research paradigms in the era of artificial intelligence and automation. An autonomous experimental platform (AEP) has emerged as an exciting research frontier that achieves full autonomy via integrating data-driven algorithms such as machine learning (ML) with experimental automation in the material development loop from synthesis, characterization, and analysis, to decision making. In this review, we started with a primer to describe how to develop data-driven algorithms for solving material problems. Then, we systematically summarized recent progress on automated material synthesis, ML-enabled data analysis, and decision-making. Finally, we discussed the challenges and opportunities in an endeavor to develop the next-generation AEP for ultimately realizing an autonomous or self-driving laboratory. In conclusion, this review will provide insights for researchers aiming to learn the frontier of ML in materials science and deploy AEP in their labs for accelerating material development.

36 MATERIALS SCIENCE↗

Selection and Characterization of Surrogate Material for Developing Zr Barrier Coatings for Uranium Nitride Particles

In support of UC 1-x N x fuel kernels (~ 800 micrometer diameter) development work ongoing at Oak Ridge national laboratory (ORNL), where the fuel kernels will be embedded inside a possible zirconium based matrix, Argonne National Laboratory (ANL) is contributing to help develop a robust metal diffusion barrier coating. Zirconium nitride (ZrN) and Zirconium oxide (ZrO2) were selected as possible diffusion barrier candidates, and the atomic layer deposition (ALD) has been chosen as a candidate technology to deposit the film. Development of such a barrier coating with the ALD process entails significant number of trials to study relevant parameters. Therefore, to prevent needless wastage, instead of coating directly over fuel kernels, a surrogate candidate with similar dimensions and physical properties were been selected and coated to develop the diffusion barrier coating.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Materials Surveillance Development

This presentation is to update DOE at the Molten Salt Program review in May on the work at INL and Argonne National Laboratory on surveillance specimen development. This includes thermal-mechanical testing and test article designs.

36 MATERIALS SCIENCE↗

Motivation, benefits, and challenges for new photovoltaic material & module developments

Abstract In the last decade and longer, photovoltaic module manufacturers have experienced a rapidly growing market along with a dramatic decrease in module prices. Such cost pressures have resulted in a drive to develop and implement new module designs, which either increase performance and/or lifetime of the modules or decrease the cost to produce them. In this paper, the main motivations and benefits but also challenges for material innovations will be discussed. Many of these innovations include the use of new and novel materials in place of more conventional materials or designs. As a result, modules are being produced and sold without a long-term understanding about the performance and reliability of these new materials. This has led to unexpected new failure mechanisms occurring few years after deployment, such as potential induced degradation or backsheet cracking. None of these failure modes have been detected after the back then common single stress tests. New accelerated test approaches are based on a combination or sequence of multiple stressors that better reflect outdoor conditions. That allows for identification of new degradation modes linked to new module materials or module designs.

Oreski, G. (ORCID:0000000342239047)↗

An Investigation into the Effects of Interface Stress and Interfacial Arrangement on Temperature Dependent Thermal Properties of a Biological and a Biomimetic Material

A significant effort in the biomimetic materials research is on developing materials that can mimic and function in the same way as biological tissues, on bio-inspired electronic circuits, on bio-inspired flight structures, on bio-mimetic materials processing, and on structural biomimetic materials, etc. Most structural biological and biomimetic material properties are affected by two primary factors: (1) interfacial interactions between an organic and an inorganic phase usually in the form of interactions between an inorganic mineral phase and organic protein network; and (2) structural arrangement of the constituents. Examples are exoskeleton structures such as spicule, nacre, and crustacean exoskeletons. A significant effort is being directed towards making synthetic biomimetic materials based on a manipulation of the above two primary factors. The proposed research is based on a hypothesis that in synthetic materials with biomimetic morphology thermal conductivity, k, (how fast heat is carried away) and thermal diffusivity, D, (how fast a material’s temperature rises: proportional to the ratio of k and heat capacity) can be engineered to be either significantly low or significantly high based on a combination of chosen interface orientation and interfacial arrangement in comparison to conventional material microstructures with the same phases and phase volume fractions. METHOD DEVELOPMENT 1. We have established a combined Raman spectroscopy and nanomechanical loading based experimental framework to perform environment (liquid vs. air vs. vacuum) dependent and temperature dependent (~1000 degree-C) in-situ thermal diffusivity measurements in biomaterials at nanoscale to micron scale along with the corresponding analytical theoretic calculations. (Zhang and Tomar, 2013) 2. We have also established a new classical molecular simulation based framework to measure thermal diffusivity in biomolecular interfaces. We are writing a publication currently (Qu and Tomar, 2013) to report the framework and findings in tropocollagen-hydroxyapatite based idealized biomaterial interfaces. PHYSICAL FINDINGS 1. Analyses using experiments have revealed that in the case of bone thermal conductivity and thermal diffusivity at micron scale shows significant dependence on compressive stress and temperature. Overall, there is a decrease with respect to increase in temperature and increase with respect to increase in compressive stress. Bio-molecular simulations on idealized tropocollagen-hydroxyapatite interfaces confirm such findings. However, simulations also reveal that thermal diffusivity and thermal conductivity can be significantly tailored by interfacial orientation. More importantly, in inorganic materials, interfaces contribute to reduce thermal conductivity and diffusivity. However, analyses here reveal that both can be increased despite presence of a lot of interfaces. 2. Based on significant role played by interfaces in affecting bone thermal properties, a crustacean-exoskeleton system is examined for thermal diffusivity using the newly developed setup. Special emphasis here is on this system since such arrangement is found to be common in fresh water shrimp as well as in some deep water organisms surviving in environment extremes. Experiments reveal that in such system thermal diffusivity is highly tailorable. 3. Overall, experiments and models have established that in biomaterial interfaces a counterintuitive role of interfaces in mediating thermal conduction as a function of stress and temperature is possible in contrast to inorganic materials where interfaces almost always lead to reduction of thermal conductivity as a function of such factors. More investigations are underway to reveal physical origins of such counter-physical characteristics. Such principles can be significantly useful in developing new and innovative bioenergy and inorganic energy systems where heat dissipation significantly affects system performance.

59 BASIC BIOLOGICAL SCIENCES↗

Adaptive Aerostructures for Revolutionary Civil Supersonic Transportation

To enable commercially viable civil supersonic transport (SST) aircraft, innovative solutions must be developed to meet noise and efficiency requirements for overland flight. This research effort consists of a multidisciplinary team of academic and industrial experts exploring for the first time the potential of small real-time geometric outer mold line (OML) reconfigurations to minimize sonic boom signatures and aircraft drag in response to changing ambient conditions, thereby enabling noise-compliant overland supersonic flight. The team utilizes recent advances in supersonic computational fluid dynamic (CFD) methods, new noise prediction tools, and new design approaches to consider embedded highly energy-dense shape memory alloy (SMA) actuators for local shape modifications to an SST aircraft leading to optimal low boom signature and low drag in different environments. This university-led program will provide strategic leadership toward technology convergence that advances NASA's Aerospace Research Mission Directorate's (ARMD) research objectives with regard to Thrust 2: “Innovation in Commercial Supersonic Aircraft” by exploring for the first time enabling low-boom operation across a range of flight conditions via structural adaptivity, and will promote education of the next generation of engineers. The overall research strategy is to pursue three critical areas: the design of configurations for reducing boom, SMA material development and modeling, and technology feasibility demonstration in a relevant environment. Initially, the team will identify potential applications where structure or geometry adaptivity provides a benefit in noise or drag across the entire flight envelope. For selected applications/structural locations, required OML geometry changes will be determined based on analysis of sonic boom ground signature and drag reduction using new design tools, trade studies, and atmospheric sensing techniques. Designs will be developed and evaluated against requirements on loading, stroke length, and operational temperature. New alloy formulations will be developed tailored for both autonomous and controlled actuation modes. As the SMA material development matures, integrated system-level factors will be investigated. Optimized designs for small-scale distributed adaptivity applications of maximum benefit will then be matured and tested, moving toward demonstration of the innovative technology approaches at a TRL 4-5 and showing that sonic booms can be reduced by reconfiguration on demand.

Koushik Datta↗

Ion-Neutron Irradiated BOR60 Sample Preparation and Characterization: Nuclear Science User Facility 2017 Milestone Report

This document outlines the results obtained by Oak Ridge National Laboratory (ORNL) in collaboration with the University of Michigan-led Consolidated Innovative Nuclear Research project, “Feasibility of combined ion-neutron irradiation for accessing high dose levels.” In this reporting period, neutron irradiated were prepared and shipped to the University of Michigan for subsequent ion irradiation. The specimens were returned to ORNL’s Low Activation Materials Development and Analysis facility, prepared via focused ion beam for examination using scanning/transmission electron microscopy (S/TEM), and then examined using S/TEM to measure the as-irradiated microstructure. This report briefly summarizes the S/TEM results obtained at ORNL’s Low Activation Materials Development and Analysis facility.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Radiation protection using Martian surface materials in human exploration of Mars

To develop materials for shielding astronauts from the hazards of GCR, natural Martian surface materials are considered for their potential as radiation shielding for manned Mars missions. The modified radiation fluences behind various kinds of Martian rocks and regolith are determined by solving the Boltzmann equation using NASA Langley's HZETRN code along with the 1977 Solar Minimum galactic cosmic ray environmental model. To develop structural shielding composite materials for Martian surface habitats, theoretical predictions of the shielding properties of Martian regolith/polyimide composites has been computed to assess their shielding effectiveness. Adding high-performance polymer binders to Martian regolith to enhance structural properties also enhances the shielding properties of these composites because of the added hydrogenous constituents. Heavy ion beam testing of regolith simulant/polyimide composites is planned to validate this prediction. Characterization and proton beam tests are performed to measure structural properties and to compare the shielding effects on microelectronic devices, respectively.

NASA Center LaRC↗

Development of a mechanistic thermal aging model for Grade 91

This report provides a summary on understanding and predicting the effects of long-term thermal aging on microstructure and tensile properties of G91 to corroborate the ASME Code rules in strength reduction due to elevated temperature service. The research is to support the design and long-term operation of G91 structural components in sodium-cooled fast reactors (SFRs). The report is a Level 2 deliverable in FY18 (M2NT-18AN050502061), under the Work Package NT-18AN05050206, “G91 Code Extension Testing” performed by the Argonne National Laboratory (ANL), as part of the Advanced Materials Development Program for Fast Reactors. The thermal aging study of G91 involves three types of thermally-aged specimens: (1) specimens machined from two heats of G91, G91-H1 and H30176 that have been tested for the Advanced Materials Development Programs in the past years. These specimens were aged at 550, 600, and 650°C for times up to ~64,000 h; (2) specimens fabricated from the heads of the archived crept specimens (13 in total) of six heats of G91, H5349, H30394, H30383, H10148, H30176. These specimens were aged at 427 - 538°C and for times up to 132,647 h; (3) specimens made from a tube removed from the Kingston coal-fired power plant after exposure for 155,000 h at 550°C. These three sets of specimens provide a comprehensive data set for understanding and predicting the effect of long-term thermal aging on microstructure and tensile properties of G91. Microstructural analysis of the thermally-aged G91 revealed that thermal aging causes significant microstructural changes: (1) the tempered martensite formed during tempering is unstable, and suffers significant recovery during aging, manifested by an increase in subgrain width, a decrease in subgrain length, and a decrease in subgrain aspect ratio (i.e. subgrains become more equiaxed) as the aging temperature and time increase. The subgrain recovery is facilitated by the reduction of dislocation density within subgrains; (2) M23C6 carbides in the as-received G91 are distributed along grain and subgrain boundaries and play an important role as pinning obstacles against subgrain coarsening. M23C6 carbides coarsen during aging, and the coarsening of M23C6 carbides reduces the pinning force on the boundaries; (3) MX carbonitrides in the as-received G91 are distributed uniformly within subgrains, providing the precipitation hardening effect. They coarsen with increasing aging temperature and time, but the coarsening rate is low; (3) a new phase, the Laves phase intermetallic forms during aging. The formation of the Laves phase removes the Mo solutes from the matrix, reducing the solid solution strengthening effect. The Laves phase particles grow rapidly once they are nucleated, and they precipitate primarily along boundaries. They may have a pinning effect on boundaries, but should provide little to the alloy strength. The evolution of each microstructural constituent during thermal aging can be well described by individual microstructural models. The estimated activation energy for MX coarsening was 175 kJ/mol, equivalent to the activation energy for boundary and core diffusion in a-Fe, while the estimated activation energy for subgrain coarsening was significantly lower, ~96 kJ/mol. Thermal aging of G91 results in the reduction in the yield stress and the ultimate tensile strength but has an insignificant effect on the uniform and total elongations. The reduction in tensile strength is more pronounced as the aging temperature and time increases. The in situ tensile tests with high-energy X-rays revealed that sub-boundary strengthening plays a dominant role, and the strengthening role of M23C6 particles may be accounted for by subgrian boundary hardening, and three strengthening mechanisms can be superimposed to describe the tensile strength of G91: subgrain boundary hardening, MX precipitation hardening, and Mo solid solution strengthening. A microstructure – strength model was establ

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction

Deep learning models have proven to be a powerful tool for the prediction of molecular properties for applications including drug design and the development of energy storage materials. However, in order to learn accurate and robust structure–property mappings, these models require large amounts of data which can be a challenge to collect given the time and resource-intensive nature of experimental material characterization efforts. Additionally, such models fail to generalize to new types of molecular structures that were not included in the model training data. The acceleration of material development through uncertainty-guided experimental design has the promise to significantly reduce the data requirements and enable faster generalization to new types of materials. To evaluate the potential of such approaches for electrolyte design applications, we perform comprehensive evaluation of existing uncertainty quantification methods on the prediction of two relevant molecular properties - aqueous solubility and redox potential. We develop novel evaluation methods to probe the utility of the uncertainty estimates for both in-domain and out-of-domain data sets. Finally, we leverage selected uncertainty estimation methods for active learning to evaluate their capacity to support experimental design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

PHASE CHANGE MATERIAL FOR THERMAL ENERGY STORAGE IN BUILDINGS BASED ON SODIUM SULFATE DECAHYDRATE AND DISODIUM HYDROGEN PHOSPHATE DODECAHYDRATE

The worldwide increasing energy demand and 2050 net zero carbon target urge the globe to solve the energy challenge. Thermal Energy Storage (TES) has received significant attention in recent years as TES can be integrated into heating, ventilation, and air-conditioning systems where the energy would be stored during low-demand times and dispatched during high-demand times, resulting in controlling the peak load and improving energy savings. Material development is an integral part of TES. Salt hydrates are appealing due to cost-effectiveness, low- to no toxicity, and their high melting enthalpy, where energy is stored as latent heat. However, most salt hydrates are prone to incongruent melting (i.e., phase separation upon melting), which results in poor stability and large supercooling. In this study, we produced a highly stable novel energy storage material at a composition of 32 wt% sodium sulfate decahydrate, 52 wt% sodium phosphate dibasic dodecahydrate, 12 wt% milled expanded graphite, and 4 wt% borax. The material has a melting temperature of 28°C and an energy storage capacity of 167 kJ/kg with a supercooling of less than 3°C. The system showed no loss in energy storage performance after 150 cycles. The findings suggest that the novel energy storage material developed in this might be utilized in building heating and cooling applications.

Turnaoglu, Tugba↗

Q4 Titanium 6-4 Material Properties Development

This task involves development and characterization of selective laser melting (SLM) parameters for additive manufacturing of titanium-6%aluminum-4%vanadium (Ti-6Al-4V or Ti64). SLM is a relatively new manufacturing technology that fabricates complex metal components by fusing thin layers of powder with a high-powered laser beam, utilizing a 3D computer design to direct the energy and form the shape without traditional tools, dies, or molds. There are several metal SLM technologies and materials on the market today, and various efforts to quantify the mechanical properties, however, nothing consolidated or formal to date. Meanwhile, SLM material fatigue properties of Ti64 are currently highly sought after by NASA propulsion designers for rotating turbomachinery components.

Cooper, Kenneth↗

Development of a high capacity bubble domain memory element and related epitaxial garnet materials for application in spacecraft data recorders. Item 2: The optimization of material-device parameters for application in bubble domain memory elements for spacecraft data recorders

Bubble domain materials and devices are discussed. One of the materials development goals was a materials system suitable for operation of 16 micrometer period bubble domain devices at 150 kHz over the temperature range -10 C to +60 C. Several material compositions and hard bubble suppression techniques were characterized and the most promising candidates were evaluated in device structures. The technique of pulsed laser stroboscopic microscopy was used to characterize bubble dynamic properties and device performance at 150 kHz. Techniques for large area LPE film growth were developed as a separate task. Device studies included detector optimization, passive replicator design and test and on-chip bridge evaluation. As a technology demonstration an 8 chip memory cell was designed, tested and delivered. The memory elements used in the cell were 10 kilobit serial registers.

Besser, P. J.↗

Automation of Solid Oxyde Electrolyzer Cell (SOEC) & Stack Assembly

The work performed under this agreement before the No/Go decision amounted to the following: 1. Preliminary manufacturing requirements defined by business sensitivity, baseline processes & risk assessment; 2. Process & materials development, in-line gauge exploration, and preliminary automation work used to reduce risk & further refine equipment specifications; 3. “Request for Quote” issued to multiple suppliers for major equipment; 4. Application specific equipment, hardware, and fixturing will be more beneficial to fabricate inhouse; 5.Current proposals & estimates meet cycle time, capital spend, & direct labor; space is on target but requires awareness; 6. Team will continue to explore opportunities to reduce risk (dry time, traceability); 7. Go / No-Go, Purchase Orders, Equipment build & commissioning next All other future task were not completed because during the Go /No-Go decision it was confirmed this project was a "No-Go" and did not proceed past BP1; these included the following: 1. Preliminary manufacturing requirements defined by business sensitivity, baseline processes & risk assessment; 2. Process & materials development, in-line gauge exploration, and preliminary automation work used to reduce risk & further refine equipment specifications; 3. “Request for Quote” issued to multiple suppliers for major equipment; 4. Application specific equipment, hardware, and fixturing will be more beneficial to fabricate inhouse; 5. Current proposals & estimates meet cycle time, capital spend, & direct labor; space is on target but requires awareness; 6. Team will continue to explore opportunities to reduce risk (dry time, traceability) In final preparation of the termination of the Automation of Solid Oxyde Electrolyzer Cell (SOEC) & Stack Assembly, Cummins has purchased no equipment with government funds, and there is no government-owned property in Cummins possession related to this project. Minimal labor and travel were completed and paid. This acts as the Final technical report and concludes our business with DOE on this grant.

36 MATERIALS SCIENCE↗

A Grassroots Network and Community Roadmap for Interconnected Autonomous Science Laboratories for Accelerated Discovery

Scientific discovery is being revolutionized by AI and autonomous systems, yet current autonomous laboratories remain isolated islands unable to collaborate across institutions. We present the Autonomous Interconnected Science Lab Ecosystem (AISLE), a grassroots network transforming fragmented capabilities into a unified system that shorten the path from ideation to innovation to impact and accelerates discovery from decades to months. AISLE addresses five critical dimensions: (1) cross-institutional equipment orchestration, (2) intelligent data management with FAIR compliance, (3) AI-agent driven orchestration grounded in scientific principles, (4) interoperable agent communication interfaces, and (5) AI/ML-integrated scientific education. By connecting autonomous agents across institutional boundaries, autonomous science can unlock research spaces inaccessible to traditional approaches while democratizing cutting-edge technologies. This paradigm shift toward collaborative autonomous science promises breakthroughs in sustainable energy, materials development, and public health.

Ferreira da Silva, Rafael [Oak Ridge National Labo↗

Modular SOEC System for Efficient H 2 Production at High Current Density

The overall objective of the project was to demonstrate the potential of Solid Oxide Electrolysis Cell (SOEC) systems to produce hydrogen at a cost of $\$$2.00/kg H 2 or less (excluding delivery, compression, storage, and dispensing). An additional objective of the project was to enhance Solid Oxide Electrolysis Cell (SOEC) stack endurance and impart subsystem robustness for operation on load profiles compatible with intermittent renewable energy sources. The project was designed to achieve the overall objectives through a multi-disciplinary approach that included SOEC stack and materials development, systems development and optimization, techno-economic analyses, and ultimately the demonstration of a > 4 kg H 2 /day SOEC system. The scope of work included research and development efforts to develop an advanced, high temperature, water splitting (HTWS) system with superior performance and durability relative to the current state-of-the-art. In support of the aforementioned goals, the project activities included: 1) Develop and test cell materials with improved endurance at high current densities; 2) Design and fabricate a >4 kg H 2 /day SOEC stack optimized for high efficiency operation in the range of 1 - 2 A/cm 2 ; 3) Perform stack testing under simulated system conditions; 4) Perform systems analysis including configuration and parametric studies, to maximize SOEC system efficiency and minimize H 2 production costs; 5) Develop the conceptual design of a >4 kg H 2 /day thermally self-sustaining SOEC demonstration system including stack module and balance of plant (BoP).

08 HYDROGEN↗

Bibliometric review and recent advances in total scattering pair distribution function analysis: 21 years in retrospect

Global research activities have been driven by the quest to develop and characterize novel materials for technological advancements. The total scattering pair distribution function (TSPDF) is a powerful and versatile characterization technique for examining the structural details of diverse complex materials including liquid, amorphous, disordered crystalline, and nanostructured materials. Thus, it is critical to keep track of research progress, identify research gaps, and future research directions of the application of the TSPDF technique in materials development and discovery. In this work, a bibliometric analysis of literature regarding the TSPDF technique between 2000 and 2021 was conducted using datasets retrieved from the Web of Science database. The research trends based on publication outputs, research subject distribution, co-authorships among institutions, countries/regions, co-citation of referenced sources, and keyword co-occurrence are evaluated and discussed herein. The impact of the TSPDF technique is projected to increase due to its importance in probing emerging functional materials, and the advances in specialized facilities and instrumentation among the scientific communities engaged with it. Finally, current and emerging research hotspots related to TSPDF technique such as catalysis, computer modeling and simulation, pharmaceutics, machine learning, hydrogen storage, battery materials, and layered structured materials are also identified and discussed.

36 MATERIALS SCIENCE↗