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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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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Safety Standard for Hydrogen and Hydrogen Systems: Guidelines for Hydrogen System Design, Materials Selection, Operations, Storage and Transportation

The NASA Safety Standard, which establishes a uniform process for hydrogen system design, materials selection, operation, storage, and transportation, is presented. The guidelines include suggestions for safely storing, handling, and using hydrogen in gaseous (GH2), liquid (LH2), or slush (SLH2) form whether used as a propellant or non-propellant. The handbook contains 9 chapters detailing properties and hazards, facility design, design of components, materials compatibility, detection, and transportation. Chapter 10 serves as a reference and the appendices contained therein include: assessment examples; scaling laws, explosions, blast effects, and fragmentation; codes, standards, and NASA directives; and relief devices along with a list of tables and figures, abbreviations, a glossary and an index for ease of use. The intent of the handbook is to provide enough information that it can be used alone, but at the same time, reference data sources that can provide much more detail if required.

Source record↗
DOE OSTI2024

High-Entropy Metal-Organic Frameworks (HEMOFs): A New Frontier in Materials Design for CO 2 Utilization

High-entropy materials (HEMs) emerged as promising candidates for a diverse array of chemical transformations, including CO 2 utilization. However, traditional HEMs catalysts are nonporous, limiting their activity to surface sites. Designing HEMs with intrinsic porosity can open the door toward enhanced reactivity while maintaining the many benefits of high configurational entropy. Here, in this study, a synergistic experimental, analytical, and theoretical approach to design the first high-entropy metal-organic frameworks (HEMOFs) derived from polynuclear metal clusters is implemented, a novel class of porous HEMs that is highly active for CO 2 fixation under mild conditions and short reaction times, outperforming existing heterogeneous catalysts. HEMOFs with up to 15 distinct metals are synthesized (the highest number of metals ever incorporated into a single MOF) and, for the first time, homogenous metal mixing within individual clusters is directly observed via high-resolution scanning transmission electron microscopy. Importantly, density functional theory studies provide unprecedented insight into the electronic structures of HEMOFs, demonstrating that the density of states in heterometallic clusters is highly sensitive to metal composition. This work dramatically advances HEMOF materials design, paving the way for further exploration of HEMs and offers new avenues for the development of multifunctional materials with tailored properties for a wide range of applications.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Biomaterials Out of Thin Air: In Situ, On-Demand Printing of Advanced Biocomposites: A New Materials Design and Production Technique Using 3D-Printed Arrays of Bioengineered Cells

We have completed the proof of concept described in our Phase I proposal, a two-material array of nonstructural proteins. We created an implementation of each step in our technology concept and demonstrated its critical functionality. The biological chassis and printing hardware we created as part of this work can be re-used for future work by inserting a material coding region upstream of the fluorescent tag. Overall, we showed that our technology concept is sound. The mission benefit analyses, as described in our Phase I proposal, are complete and contained in this report. These calculations show that our technology can save hundreds of kilograms of upmass for a potential planetary human habit construction mission: the mass per habitat module can be reduced by approximately one third if the biomaterials are manufactured on Earth and included in the mission upmass, and the full 240 kg per module can be saved if the materials are derived entirely from in situ resources. Mass savings between these two extremes is expected for an actual mission, depending on the level of in situ resource extraction technology. We have shown that continued advancement of this technology concept for use in a space mission environment is justified. Our survey of future development pathways proved extremely informative in light of the lessons learned from our proof of concept work and mission scenario analyses. For example, we were able for the first time to distinguish between the levels of functionality provided by production of structural proteins, other polymers such as polysaccharides, and true organic-inorganic composites such as bone and mineralized shell. This new information represents a significant advance in formulating specific applications, and key enabling technologies, for our proposed concept. We surveyed potential collaborations with other projects and synergies with enabling technologies that are developing. We have received requests for collaboration from other institutions, including labs at Stanford University and Drexel University. We have also received visits from industry, including Organovo, a tissue engineering company, and Autodesk, a major 3D and materials design software company. Finally, we have been in touch with the team behind the 2013 NIAC Phase ll 'Super Ball Bot-Structures for Planetary Landing and Exploration' and are planning to develop our biomaterial printing technology with the goal of enabling tensegrity-based rovers such as theirs to use lighter, more robust materials. A smooth transition from TRL 2 to TRL 3 assumes that the implementations of the technology concept which demonstrate critical functionality are also pathways for future development; while this is the case for most hardware or software projects, the multidisciplinary nature of our project, particularly the biological aspect of it, means that this is not always true. For example, as part of this work we showed that although there are large number of known genetic parts that correspond to non-structural materials, this is not true for sequences for structural organic proteins, let alone biominerals. These realizations allowed us to further subdivide our concept into more detailed development areas, some of which are clearly established at TRL 3, others of which were newly identified sub-technologies moved from TRL 1 to TRL 2. Similarly, although a single feasibility /benefit analysis is sufficient for advancement from TRL 2 to TRL 3, not all potential benefits to a technology concept as broad in scope as ours are apparent at TRL 2. Both our future pathways survey and our proof of concept work highlighted that the true mass savings potential of our technology concept cannot be quantified without modification of existing materials modelling tools to take into account the possibility of positional materials properties customization. Therefore, we have simultaneously both advanced one potential set of applications of our technology concept from TRL 2 to TRL 3 and also identified a previously unknown set of applications and advanced it from TRL 1 to TRL 2. Overall, we have moved the original formulation of our concept forward from TRL 2 to TRL 3, and the expanded formulation of it presented in this document has been advanced from a combination of TRL 1 and early 1RL 2 to an overall late TRL 2. We have also identified the key areas necessary for both short-term and long-term advancement, and made recommendations for specific future work in the most promising directions. With future work on a 1-2 year timeframe to continue advancement to overall TRL 3, we will be well positioned to begin work on a specific space mission technology insertion path.

Biology↗
DOE OSTI2025

Factorization Machine‐Based Active Learning for Functional Materials Design with Optimal Initial Data

The optimization of functional materials is important to enhance their properties, but their complex geometries pose great challenges to optimization. Data-driven algorithms efficiently navigate such complex design spaces by learning relationships between material structures and performance metrics to discover high-performance functional materials. Surrogate-based active learning, continually improving its surrogate model by iteratively including high-quality data points, has emerged as a cost-effective data-driven approach. Furthermore, it can be coupled with quantum computing to enhance optimization processes, especially when paired with a special form of surrogate model (i.e., quadratic unconstrained binary optimization), formulated by factorization machine (FM). However, current practices often overlook the variability in design space sizes when determining the initial data size for optimization. In this work, we investigate the optimal initial data sizes required for efficient convergence across various design space sizes. By employing averaged piecewise linear regression, we identify initiation points where convergence begins, highlighting the crucial role of employing adequate initial data in achieving efficient optimization. These results contribute to the efficient optimization of functional materials by ensuring faster convergence and reducing computational costs in FM-based active learning.

active learning↗
DOE OSTI2026

Deep Gaussian process-based cost-aware batch Bayesian optimization for complex materials design campaigns

The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast design spaces with complex response surfaces while judiciously allocating limited evaluation resources. We present a cost-aware, batch Bayesian optimization scheme powered by deep Gaussian process (DGP) surrogates and a heterotopic querying strategy. Our DGP surrogate, formed by stacking GP layers, models complex hierarchical relationships among high-dimensional compositional features and captures correlations across multiple target properties, propagating uncertainty through successive layers. We integrate evaluation cost into an upper-confidence-bound acquisition extension, which, together with heterotopic querying, proposes small batches of candidates in parallel, balancing exploration of under-characterized regions with exploitation of high-mean, low-variance predictions across correlated properties. Applied to refractory high-entropy alloys for high-temperature applications, our framework converges to optimal formulations in fewer iterations with cost-aware queries than conventional GP-based BO, highlighting the value of deep, uncertainty-aware, cost-sensitive strategies in materials campaigns.

36 MATERIALS SCIENCE↗
NASA NTRS2019

Evaluation of Impact Energy Attenuators and Composite Material Designs of a UAM VTOL Concept Vehicle

The development of Vertical Take-off and Landing (VTOL) vehicles for the Urban Air Mobility (UAM) markets presents a need for light weight vehicle structures with effective occupant protection capabilities. The National Aeronautics and Space Administration (NASA) has been working to fill that need, recently developing a cadre of concept vehicles to help characterize UAM design feasibility. This paper describes a study, using these concept vehicles, to evaluate the use of advanced composite structure and energy attenuating designs in the UAM vehicle design space. A finite element model (FEM) of a single passenger quadrotor concept vehicle was developed in LS-Dyna® and simulated under nominal and off-nominal vertical impact conditions. A variety of energy attenuating design mechanisms were implemented within this model to quantify their effectiveness in improving occupant safety. The use of carbon composites in both the energy attenuation mechanisms and vehicle structure was evaluated. The results of this study found significant reduction in occupant injury risk with the implementation of energy absorbing composite crush tubes and landing gear within the vehicle design. Additionally the use of a carbon fiber as a structural material was found to provide significant weight reduction while maintaining similar occupant loads to that predicted with an aluminum structure. This work provides a preliminary evaluation of design mechanisms and materials that may be used to optimize occupant protection capabilities within the UAM market.

Putnam, Jacob↗
NASA NTRS2014

Modeling Materials: Design for Planetary Entry, Electric Aircraft, and Beyond

NASA missions push the limits of what is possible. The development of high-performance materials must keep pace with the agency's demanding, cutting-edge applications. Researchers at NASA's Ames Research Center are performing multiscale computational modeling to accelerate development times and further the design of next-generation aerospace materials. Multiscale modeling combines several computationally intensive techniques ranging from the atomic level to the macroscale, passing output from one level as input to the next level. These methods are applicable to a wide variety of materials systems. For example: (a) Ultra-high-temperature ceramics for hypersonic aircraft-we utilized the full range of multiscale modeling to characterize thermal protection materials for faster, safer air- and spacecraft, (b) Planetary entry heat shields for space vehicles-we computed thermal and mechanical properties of ablative composites by combining several methods, from atomistic simulations to macroscale computations, (c) Advanced batteries for electric aircraft-we performed large-scale molecular dynamics simulations of advanced electrolytes for ultra-high-energy capacity batteries to enable long-distance electric aircraft service; and (d) Shape-memory alloys for high-efficiency aircraft-we used high-fidelity electronic structure calculations to determine phase diagrams in shape-memory transformations. Advances in high-performance computing have been critical to the development of multiscale materials modeling. We used nearly one million processor hours on NASA's Pleiades supercomputer to characterize electrolytes with a fidelity that would be otherwise impossible. For this and other projects, Pleiades enables us to push the physics and accuracy of our calculations to new levels.

Supercomputing↗
NASA NTRS1983

The Shuttle Orbiter thermal protection system materials, designs, and flight performance overview

The design requirements for the Orbiter thermal protection system (TPS), the various TPS materials that are used, the different design approaches associated with each of the materials, and the performance experienced during the flight test program are described. The first five flights of the Orbiter Columbia have provided the necessary data to verify the TPS thermal performance, structural integrity, and reusability. The flight performance characteristics of each TPS material are discussed. This discussion is based on postflight inspections and postflight interpretation of the flight instrumentation data. The flights to date indicate that the thermal and structural design requirements for the Orbiter TPS have been met and that the overall performance has been outstanding.

Dotts, R. L.↗
DOE OSTI2025

Realizing the Materials-Designed-To-Environments Promise of Additive Manufacturing Through a Fundamentally Different Approach to Optimization of Nonlinear Solid Mechanics Structures

Additive Manufacturing (AM) is expected to play a large role in the labs-wide goals of accelerating innovation and leading in modern engineering. More specifically, AM is seen as a key enabling technology for increasing the agility of nuclear deterrence and other national security applications involving complex coupled environments. However, the impact of AM on these initiatives has not been as wide-ranging as hoped because – despite its unique qualities – the focus has mostly been on detailed qualification to force AM components into pre-existing performance envelopes. This paradigm fundamentally precludes the novel possibilities afforded by the geometric and material flexibility of AM. In particular, the engineering of small-scale features to undergo buckling and contact can cause large geometric and symmetry changes which provide responsiveness to different environments. Despite almost a decade of observing such behavior, there exists no way to systematically design for AM to exploit it. Our goal for this project was to connect material design to multi-environment component performance by reconceptualizing how to design for AM to exploit the buckling and contact of small-scale features.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Thermal Characterization of Functionally Graded Materials: Design of Optimum Experiments

This paper is a study of optimal experiment design applied to the measure of thermal properties in functionally graded materials. As a first step, a material with linearly-varying thermal properties is analyzed, and several different tran- sient experimental designs are discussed. An optimality criterion, based on sen- sitivity coefficients, is used to identify the best experimental design. Simulated experimental results are analyzed to verify that the identified best experiment design has the smallest errors in the estimated parameters. This procedure is general and can be applied to design of experiments for a variety of materials.

Cole, Kevin D.↗
DOE OSTI2024

De novo Materials Design of Catalytic Surface Motifs for Water-Gas-Shift (Final Progress Report DOE Grant DE-SC0019281)

This project was aimed at developing innovative theoretical methods and models to understand essential catalysis-relevant issues such as CO 2 conversion, fuel cells, and lithium batteries. Through collaborations with experimentalists, we strive to develop new quantum and machine learning methods for the understanding of surface and interfacial chemistry that can empower the design of energy and sustainability systems. Overall, our work under this grant brings cross-disciplinary insights into catalytic materials, microenvironments, and other conditions, which can serve to provide design rules for the next generation of catalysts.

25 ENERGY STORAGE↗
DOE OSTI2025

An innovative radial gradient material design using hot isostatic pressing for applications in extreme environments

Functionally graded materials (FGMs) are highly advanced continuous or discontinuous structures whose structural and material properties vary along a singular geometric dimension either in the axial or radial direction. Here, the radial gradient FGM design makes for an optimal structural design to incorporate a bi-metallic structure with a copper-based high entropy alloy (Cu-HEA) with good mechanical properties and high irradiation resistance, and Chromium (Cr) with great corrosion resistance. This study focuses on the experimental design of a metal powder loading mechanism to fabricate a bi-metallic radial gradient structure using Cu-HEA and 99.9 % pure Cr metal powders. The powder loading strategy uses custom-designed concentric cylindrical dividers to separate the individual compositions. Two benchtop trial runs were performed for design optimization. The optimized design was then implemented to eventually load the HEA and Cr powders for consolidation via powder metallurgy hot isostatic pressing (PM-HIP). The electron microscopy analysis reveals the successful fabrication of the radial gradient structure with the chemical mapping analysis, demonstrating the gradual composition shift from the HEA at the center to the pure-Cr at the periphery via a three-step gradient.

High Entropy Alloys (HEAs)↗
DOE OSTI2026

Micro-architected material design for mechanical response

Rapid advances in additive manufacturing (AM) have enabled the creation of micro-architected materials—also known as mechanical metamaterials—with unprecedented control over fine-scale geometries and arrangements of multiple material constituents. These “materials” can achieve unique and extraordinary effective mechanical properties through their complex architectures rather than composition alone. A key challenge is to design for these bespoke effective mechanical responses within the constraints of available AM techniques (i.e., given a set of desired effective properties), identify a (often nonunique) micro-architecture and selection of material constituents that achieves them. Two main strategies have emerged. Gradient-based methods use sensitivity analysis to iteratively refine candidate designs, while data-driven methods learn micro-architecture-constituent relationships from existing examples to propose new designs. This article reviews these design approaches for micro-architected materials with tailored mechanical responses that can be fabricated by AM as well as their applications.

Spadaccini, Christopher M [Lawrence Livermore Nati↗
NASA NTRS2017

Advanced Ceramic Matrix Composites: Science and Technology of Materials, Design, Applications, Performance and Integration

Overview of NASA Transformational Tools and Technologies Project's 2700F CMC/EBC Technology Challenge J. Hurst, NASA (National Aeronautics and Space Administration, Glenn Research Center, Cleveland, OH USA Key Words: ceramic matrix composites (CMCs), SiC/SiC composites, environmental barrier coatings (EBCs), CMC modeling, simulated engine testing As advanced gas turbine engine designs continue to move toward both higher operating temperatures and increased pressures, materials capable of functioning under these extreme conditions are being sought by both government and industry. As part of its mission, the NASA's Transformational Tools and Technologies Project, under the auspices of NASA's Aeronautics Research Mission Directorate, has been pursuing a five year Technology Challenge problem. This challenge problem has sought to develop high temperature materials for turbine engines that enable a 6% reduction in fuel burn for commercial aircraft, compared to current SOA materials. Specifically this is accomplished by the development and demonstration of a ceramic matrix composite (CMC) and environmental barrier coating (EBC) system capable of sustained performance at temperature of 2700F. The NASA Glenn Research Center has continued its two decade long interest in CMC/EBCs technology by pursuing this 2700F performance goal. This ambitious effort included an array of vendors, universities and engine companies. Included in this challenge was fiber development, fiber architecture considerations, ceramic matrix composition, environmental barrier compositions and processing routes as well as test development. Evaluation of the CMC/EBC materials included a variety of testing, from coupon testing for strength and creep resistance, to testing aimed at determining material behavior under more engine-like conditions. The development and validation of thermomechanical models and computational tools for design, analysis, and life prediction, have been an important part of this effort as well. Simulated engine testing of vane subcomponents by P&W was the final step following years of development. In addition to achieving the temperature goals and enhanced durability performance of the Tech Challenge, an additional goal achieved by this work was reaching a Technology Readiness Level of 5 for the 3-D CMC/EBC system. As this five year Technical Challenge comes to a conclusion, future development interests in environmental barrier coatings and environmental modeling are discussed.

SiC/SiC composites↗