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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tuning Interface Electronic Properties via Chiral Two‐Dimensional Metal‐Organic Frameworks

Control over structural symmetries in nanomaterials offers a powerful approach to engineer electronic properties. For instance, breaking of mirror symmetries in two-dimensional (2D) materials with a hexagonal lattice can lead to nontrivial electronic topologies and correlated-electron phenomena. Yet, the impact of structural chirality on the electronic properties of 2D materials and interfaces remains underexplored. Here, how chiral phases of a 2D metal-organic framework (MOF) with a hexagonal lattice—consisting of hexaazatriphenylene molecules coordinated to Cu atoms—scatter, confine, and perturb the Shockley surface state (SS) electrons of an underlying Ag(111) substrate is investigated. Via low-temperature scanning tunneling microscopy and spectroscopy, noncontact atomic force microscopy, and numerical calculations based on an electronic plane-wave expansion method, modifications of the Ag(111) SS band structure are shown and quantified, including gap openings and lifts of band degeneracies, driven exclusively by the structural chirality of the 2D MOF phases. These findings highlight how structural symmetries, in particular chirality, affect electronic states at material interfaces, expanding on the toolkit for designing 2D materials with tailored electronic properties.

band structure engineering↗
DOE OSTI2024

Neural network interatomic potential-driven analysis of phase stability in Ti–V alloys at the atomistic scale

The evolution of the ω phase in titanium–vanadium (Ti–V) alloys is critical for their mechanical properties, particularly in aerospace and biomedical applications. Here, this study employs a Rapid Artificial Neural Network (RANN) potential to model the ω phase evolution at the atomistic level, demonstrating a high degree of consistency with experimental observations, unlike the Modified Embedded Atom Method (MEAM), which fails to capture this phase transformation accurately. RANN simulations replicate key phenomena such as the nucleation of α precipitates at ω/β interfaces and accurate lattice orientations, enhancing our understanding of phase stability and transformation kinetics. The findings affirm that RANN potentials can significantly improve the prediction accuracy of complex material behaviors, offering a powerful tool for designing advanced materials with tailored properties such as solute effect in various stacking fault energies. This approach not only bridges the gap between theoretical predictions and empirical data but also sets a new direction for future research in materials science, emphasizing the integration of machine learning techniques in the development and optimization of new alloys.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Overview of composites for space shuttle structures.

The space shuttle, proposed as an earth to orbit reusable vehicle, presents a challenge to materials and design engineers to apply light-weight materials. To provide large payloads, the shuttle structure must be as light weight as possible, yet possess a high degree of structural integrity over a lifetime of multiple flights. This paper reviews the general maturity of advanced composites considered for various components of the shuttle and discusses the range of potential applications for such materials.

Cataldo, C. E.↗
NASA NTRS1989

A decision-based perspective for the design of methods for systems design

Organization of material, a definition of decision based design, a hierarchy of decision based design, the decision support problem technique, a conceptual model design that can be manufactured and maintained, meta-design, computer-based design, action learning, and the characteristics of decisions are among the topics covered.

Mistree, Farrokh↗
NASA NTRS2004

On the Development of a Unique Arc Jet Test Apparatus for Control Surface Seal Evaluations

NASA Glenn has developed a unique test apparatus capable of evaluating control surface seal and flap designs under simulated reentry heating conditions in NASA Johnson's arc jet test facility. The test apparatus is capable of testing a variety of seal designs with a variety of control surface materials and designs using modular components. The flap angle can be varied during testing, allowing modification of the seal environment while testing is in progress. The flap angle is varied using an innovative transmission system which limits heat transfer from the hot flap structure to the motor, all while keeping the components properly aligned regardless of thermal expansion. A combination of active and passive cooling is employed to prevent thermal damage to the test fixture while still obtaining the target seal temperature.

Finkbeiner, Joshua R.↗
NASA NTRS2009

Designing Struts for the Low-Fidelity Orion Cockpit Mockup

The objective of the project was to design and construct nine struts to be installed in the low-fidelity Orion cockpit mockup (Rev F; located at NASA s Johnson Space Center in Houston, TX) as simplified representations of the existing flight designed struts designed by engineers at Lockheed Martin (the primary contractor of the Orion). The project design included: researching the existing flight designs, brainstorming design upgrades, developing three unrelated three-dimensional (3D) strut designs using Pro/Engineer Wildfire 3.0, choosing the best fit design, locating materials and their sources, implementing the chosen design, and making design modifications. The project resulted in making simple modifications to the existing struts used in the last Orion cockpit mockup. The project is relevant to NASA, because upgrades to the low-fidelity Orion cockpit mockup progresses NASA s goals of developing and testing a new spacecraft, conducting the spacecraft's first crewed mission by 2015, returning to the moon by 2020, and exploring Mars and other planets in the future.

Lucienne, Runa A.↗
DOE OSTI2022

Fundamental Investigations into the Properties and Performance of Advanced Materials

Intelligent engineering designs require an accurate understanding of material behavior, since any uncertainties or gaps in knowledge must be counterbalanced with heightened factors of safety, leading to overdesign. Therefore, building better structures and pushing the performance of new components requires an improved understanding of the thermomechanical response of advanced materials under service conditions. This dissertation provides fundamental investigations of several advanced materials: thermoset polymers, a common matrix material for fiber-reinforced composites and nanocomposites; aluminum alloy 7075-T6 (AA7075-T6), a high-performance aerospace material; and ceramic matrix composites (CMCs), an advanced composite for extreme-temperature applications. To understand matrix interactions with various interfaces and nanoinclusions at their fundamental scale, the properties of thermoset polymers are studied at the atomistic scale. An improved proximity-based molecular dynamics (MD) technique for modeling the crosslinking of thermoset polymers is carefully established, enabling realistic curing simulations through its ability to dynamically and probabilistically perform complex topology transformations. The proximity-based MD curing methodology is then used to explore damage initiation and the local anisotropic evolution of mechanical properties in thermoset polymers under uniaxial tension with an emphasis on changes in stiffness through a series of tensile loading, unloading, and reloading experiments. Aluminum alloys in aerospace applications often require a fatigue life of over 109 cycles, which is well over ii the number of cycles that can be practically tested using conventional fatigue testing equipment. In order to study these high-life regimes, a detailed ultrasonic cycle fatigue study is presented for AA7075-T6 under fully reversed tension-compression loading. The geometric sensitivity, frequency effects, size effects, surface roughness effects, and the corresponding failure mechanisms for ultrasonic fatigue across different fatigue regimes are investigated. Finally, because CMCs are utilized in extreme environments, oxidation plays an important role in their degradation. A multiphysics modeling methodology is thus developed to address the complex coupling between oxidation, mechanical stress, and oxygen diffusion in heterogeneous carbon fiber-reinforced CMC microstructures.

Schichtel, Jacob J.↗
NASA NTRS2011

Reliability-Based Design Optimization of a Composite Airframe Component

A stochastic optimization methodology (SDO) has been developed to design airframe structural components made of metallic and composite materials. The design method accommodates uncertainties in load, strength, and material properties that are defined by distribution functions with mean values and standard deviations. A response parameter, like a failure mode, has become a function of reliability. The primitive variables like thermomechanical loads, material properties, and failure theories, as well as variables like depth of beam or thickness of a membrane, are considered random parameters with specified distribution functions defined by mean values and standard deviations.

Pai, Shantaram S.↗
NASA NTRS2009

Reliability-Based Design Optimization of a Composite Airframe Component

A stochastic design optimization methodology (SDO) has been developed to design components of an airframe structure that can be made of metallic and composite materials. The design is obtained as a function of the risk level, or reliability, p. The design method treats uncertainties in load, strength, and material properties as distribution functions, which are defined with mean values and standard deviations. A design constraint or a failure mode is specified as a function of reliability p. Solution to stochastic optimization yields the weight of a structure as a function of reliability p. Optimum weight versus reliability p traced out an inverted-S-shaped graph. The center of the inverted-S graph corresponded to 50 percent (p = 0.5) probability of success. A heavy design with weight approaching infinity could be produced for a near-zero rate of failure that corresponds to unity for reliability p (or p = 1). Weight can be reduced to a small value for the most failure-prone design with a reliability that approaches zero (p = 0). Reliability can be changed for different components of an airframe structure. For example, the landing gear can be designed for a very high reliability, whereas it can be reduced to a small extent for a raked wingtip. The SDO capability is obtained by combining three codes: (1) The MSC/Nastran code was the deterministic analysis tool, (2) The fast probabilistic integrator, or the FPI module of the NESSUS software, was the probabilistic calculator, and (3) NASA Glenn Research Center s optimization testbed CometBoards became the optimizer. The SDO capability requires a finite element structural model, a material model, a load model, and a design model. The stochastic optimization concept is illustrated considering an academic example and a real-life raked wingtip structure of the Boeing 767-400 extended range airliner made of metallic and composite materials.

Patnaik, Surya N.↗
DOE OSTI2025

Hierarchical Gaussian process-based Bayesian optimization for materials discovery in high entropy alloy spaces

Bayesian optimization (BO) is a powerful and data-efficient method for iterative materials discovery and design, particularly valuable when prior knowledge is limited, underlying functional relationships are complex or unknown, and the cost of querying the materials space is significant. Traditional BO methodologies typically utilize conventional Gaussian Processes (cGPs) to model the relationships between material inputs and properties, as well as correlations within the input space. However, cGP-BO approaches often fall short in multi-objective optimization scenarios, where they are unable to fully exploit correlations between distinct material properties. Leveraging these correlations can significantly enhance the discovery process, as information about one property can inform and improve predictions about others. Here, this study addresses this limitation by employing advanced kernel structures to capture and model multi-dimensional property correlations through multi-task (MTGPs) or deep Gaussian Processes (DGPs), thus accelerating the discovery process. We demonstrate the effectiveness of MTGP-BO and DGP-BO in rapidly and robustly solving complex materials design challenges that occur within the context of complex multi-objective optimization over FCC FeCrNiCoCu high entropy alloy (HEA) spaces, where traditional cGP-BO approaches fail. Furthermore, we highlight how the differential costs associated with querying various material properties can be strategically leveraged to make the materials discovery process more cost-efficient.

36 MATERIALS SCIENCE↗
NASA NTRS2002

MAC/GMC Code Enhanced for Coupled Electromagnetothermoelastic Analysis of Smart Composites

Intelligent materials are those that exhibit coupling between their electromagnetic response and their thermomechanical response. This coupling allows smart materials to react mechanically (e.g., an induced displacement) to applied electrical or magnetic fields (for instance). These materials find many important applications in sensors, actuators, and transducers. Recently interest has arisen in the development of smart composites that are formed via the combination of two or more phases, one or more of which is a smart material. To design with and utilize smart composites, designers need theories that predict the coupled smart behavior of these materials from the electromagnetothermoelastic properties of the individual phases. The micromechanics model known as the generalized method of cells (GMC) has recently been extended to provide this important capability. This coupled electromagnetothermoelastic theory has recently been incorporated within NASA Glenn Research Center's Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC). This software package is user friendly and has many additional features that render it useful as a design and analysis tool for composite materials in general, and with its new capabilities, for smart composites as well.

Bednarcyk, Brett A.↗
DOE OSTI2024

Innovative control mechanism for research and test reactors using mandrel-shaped control rods

Research and test reactors have historically played a pivotal role in supporting the initial development of nuclear reactors. They continue to provide essential data for enhancing fuel designs and material knowledge. However, with many such reactors aging and the growing demand for data to bolster advanced reactor development, it is more necessary to research potential design attributes of the next generation of research and test reactors. For test reactors dedicated to fuel and material testing, the design of control mechanisms significantly influences the stabilization of neutron flux levels in irradiation positions while sustaining criticality. This study presents an innovative control mechanism for potential research and test reactor designs. It employs small absorber rods that move in opposite axial directions to maintain axial symmetry of power and neutron flux during burnup cycles. These rods maximize reactivity worth while also offering flexibility to flatten the radial power distribution. An axial translation of the control mechanisms’ absorbers, as compared to the rotational movement of absorbers in control cylinders, also provides a benefit to available excess reactivity and cycle length. Additionally, this work utilizes a simplified core model of the Advanced Test Reactor to assess the performance of this control mechanism. Compared to the current control system based on rotating control cylinders, the new control mechanism has the potential to enhance, or at least maintain, neutronic performance parameters in this reactor design.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Designing Particle Morphologies for Materials with Solid Transport Limitations: A Case Study of Lithium and Manganese Rich Cathode Oxides

A lithium and manganese rich nickel-manganese-cobalt oxide (LMR-NMC) cathode is a promising candidate for next-generation batteries due to its high specific capacity, low cost, and low cobalt content. However, the material suffers from poor rate capability due to the diffusion limitations of lithium in the cathode particles. Understanding the material performance requires careful control of the morphology of the cathode particles, taking into account the primary and agglomerated diffusion pathways and the presence of pores, some of which could be closed from electrolyte infiltration. Here, in this study, we use a microstructure-based mathematical model combined with experimental data to understand the role of the complex cathode particle morphology in the rate performance of the material. Scanning electron microscopy images of cathodes made under different synthesis conditions, which results in different agglomerate morphologies, serve as the input into the mathematical model. The model is then compared to rate data to understand the controlling parameters. The presence of intra-agglomerate closed pores results in a large agglomerate diffusion length in comparison to the ideal condition, where the primary particles are agglomerated in an open and dispersed manner such that the entire interfacial area is available for electrochemical reaction. Smaller primary and agglomerate diffusion lengths result in better electrochemical performance. This points us toward designing the morphology of the cathode particles to compensate for the diffusion limitation of LMR-NMC while maximizing the density.

Tewari, Deepti↗
DOE OSTI2024

Assembly of short amphiphilic peptoids into nanohelices with controllable supramolecular chirality

Abstract A long-standing challenge in bioinspired materials is to design and synthesize synthetic materials that mimic the sophisticated structures and functions of natural biomaterials, such as helical protein assemblies that are important in biological systems. Herein, we report the formation of a series of nanohelices from a type of well-developed protein-mimetics called peptoids. We demonstrate that nanohelix structures and supramolecular chirality can be well-controlled through the side-chain chemistry. Specifically, the ionic effects on peptoids from varying the polar side-chain groups result in the formation of either single helical fiber or hierarchically stacked helical bundles. We also demonstrate that the supramolecular chirality of assembled peptoid helices can be controlled by modifying assembling peptoids with a single chiral amino acid side chain. Computational simulations and theoretical modeling predict that minimizing exposure of hydrophobic domains within a twisted helical form presents the most thermodynamically favorable packing of these amphiphilic peptoids and suggests a key role for both polar and hydrophobic domains on nanohelix formation. Our findings establish a platform to design and synthesize chiral functional materials using sequence-defined synthetic polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Advanced Seal Sessions I and II

As aircraft operators continue to seek higher fuel efficiency, lower emissions, and longer on-wing performance, turbine engine designers are scrutinizing all components for areas of improvement. To achieve overall goals, turbine pressure ratios and by-pass ratios continue to climb. Also, designers are seeking to minimize parasitic and cooling flows to extract the most useful work out of the flow stream, placing a renewed interest on seal technology and secondary flow path management. In the area of future manned spacecraft, advancements are being examined for both habitat seals and re-entry thermal protection system thermal barrierseals. For long duration space craft, designers are continuing to look for savings in parasitic losses to reduce the amount of cabin re-supply air that needs to be brought along. This is placing greater demands on seal designs and materials to exhibit low leakage and be resistant to space environments. For future missions to and from distant planets, the re-entry heating will be higher than for low-earth orbit or lunar return motivating advanced thermal barrier development. This presentation will provide an overview of the seal challenges and opportunities in these diverse areas.

turbine engines↗
NASA NTRS1993

Advanced composite fuselage technology

Boeing's ATCAS program has completed its third year and continues to progress towards a goal to demonstrate composite fuselage technology with cost and weight advantages over aluminum. Work on this program is performed by an integrated team that includes several groups within The Boeing Company, industrial and university subcontractors, and technical support from NASA. During the course of the program, the ATCAS team has continued to perform a critical review of composite developments by recognizing advances in metal fuselage technology. Despite recent material, structural design, and manufacturing advancements for metals, polymeric matrix composite designs studied in ATCAS still project significant cost and weight advantages for future applications. A critical path to demonstrating technology readiness for composite transport fuselage structures was created to summarize ATCAS tasks for Phases A, B, and C. This includes a global schedule and list of technical issues which will be addressed throughout the course of studies. Work performed in ATCAS since the last ACT conference is also summarized. Most activities relate to crown quadrant manufacturing scaleup and performance verification. The former was highlighted by fabricating a curved, 7 ft. by 10 ft. panel, with cocured hat-stiffeners and cobonded J-frames. In building to this scale, process developments were achieved for tow-placed skins, drape formed stiffeners, braided/RTM frames, and panel cure tooling. Over 700 tests and supporting analyses have been performed for crown material and design evaluation, including structural tests that demonstrated limit load requirements for severed stiffener/skin failsafe damage conditions. Analysis of tests for tow-placed hybrid laminates with large damage indicates a tensile fracture toughness that is higher than that observed for advanced aluminum alloys. Additional recent ATCAS achievements include crown supporting technology, keel quadrant design evaluation, and sandwich process development.

Ilcewicz, Larry B.↗