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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 1,045 records · Page 58

Mechanical Modeling and Testing of Pouch Cells under Various Loading Conditions

Understanding the mechanical behaviors of batteries is critical to improve battery safety since mechanical failure may directly lead to short-circuits. Nevertheless, mechanical modeling of batteries is challenging since a cell usually contains multiple thin layers with drastically different material properties, and they exhibit different responses under different loading conditions. In this work, we developed a mechanical model for a large-format pouch cell, where the cell is represented by thick shell elements that are not only computationally efficient but also account for different thickness and material properties of individual components. Moreover, the mechanical properties of active materials in electrodes are described by a continuous surface cap model that can capture both compaction and shear deformation modes and can include strain rate effect and damage. Furthermore, to evaluate the model capabilities, we conducted abuse tests under various loading conditions (quasi-static compression, shear and impact). It is shown that the model prediction of load-displacement relationship and failure condition agree with experimental results, which demonstrates that the developed model can capture the mechanical behaviors of a cell in different abuse events. Details of element formulation, material parameters evaluation and test setup are presented. Capabilities, limitations and future directions of model development are also discussed.

25 ENERGY STORAGE↗

Slip localization behavior at triple junctions in nickel-base superalloys

Incipient slip localization in the vicinity of hundreds of grain boundary triple junctions (TJs) in a lightly deformed nickel-base superalloy IN718 is studied using a combination of three-dimensional (3D) crystal plasticity finite element (CPFE) modeling, high resolution digital image correlation (HR-DIC) and 3D electron back-scatter diffraction tomography (3D EBSD). A 3D reconstruction method enables identification of thousands of TJs and correspondence of any observed slip bands with their originating TJ lines below the specimen surface. Here, we present a large-scale CPFE model of the experimental 3D microstructure composed of high-fidelity representation of the TJ lines and the boundaries and interiors of the parent grains and use it to calculate the local micromechanical response and slip activity of all TJs at the onset of macroscopic yielding. Statistical analysis of the calculated quantities reveal TJs develop larger stress concentration and grain-average re-orientation than grain interiors and grain boundaries, however no substantial differences in cumulative slip were found among these microstructural regions. We find that TJs with observed slip bands generate lower grain-average re-orientation, fewer active slip systems, and more localized slip on a single system than those without. The distinctions in the reorientation and slip activity are stronger in TJs that experience more intense slip.

36 MATERIALS SCIENCE↗

Growth of mercuric iodide (HgI2) for nuclear radiation detectors

Mercuric iodide is a material used for the fabrication of the sensing element in solid state X-ray and gamma ray detecting instruments. The operation of the devices is determined to a large degree by the density of structural defects in the single crystalline material used in the sensing element. Since there were strong indications that the quality of the material was degraded by the effects of gravity during the growth process, a research and engineering program was initiated to grow one or more crystals of mercuric iodide in the reduced gravity environment of space. A special furnace assembly was designed which could be accommodated in a Spacelab rack, and at the same time made it possible to use the same growth procedures and controls used when growing a crystal on the ground. The space crystal, after the flight, was subjected to the same evaluation methods used for earth-grown crystals, so that comparisons could be made.

Vandenberg, L.↗

Comprehensive Material Characterization and Simultaneous Model Calibration for Improved Computational Simulation Credibility

Computational simulation is increasingly relied upon for high-consequence engineering decisions, and a foundational element to solid mechanics simulations is a credible material model. Our ultimate vision is to interlace material characterization and model calibration in a real-time feedback loop, where the current model calibration results will drive the experiment to load regimes that add the most useful information to reduce parameter uncertainty. The current work investigated one key step to this Interlaced Characterization and Calibration (ICC) paradigm, using a finite load-path tree to incorporate history/path dependency of nonlinear material models into a network of surrogate models that replace computationally-expensive finite-element analyses. Our reference simulation was an elastoplastic material point subject to biaxial deformation with a Hill anisotropic yield criterion. Training data was generated using either a space-filling or adaptive sampling method, and surrogates were built using either Gaussian process or polynomial chaos expansion methods. Surrogate error was evaluated to be on the order of 10 ⁻5 and 10 ⁻3 percent for the space-filling and adaptive sampling training data, respectively. Direct Bayesian inference was performed with the surrogate network and with the reference material point simulator, and results agreed to within 3 significant figures for the mean parameter values, with a reduction in computational cost over 5 orders of magnitude. These results bought down risk regarding the surrogate network and facilitated a successful FY22-24 full LDRD proposal to research and develop the complete ICC paradigm.

36 MATERIALS SCIENCE↗

Microstructural and Material Quality Effects on Rolling Contact Fatigue of Highly Elastic Intermetallic Ball Bearings

Rolling element bearings made from highly-elastic intermetallic materials (HIM)s, such as 60NiTi, are under development for applications that require superior corrosion and shock resistance. Compared to steel, intermetallics have been shown to have much lower rolling contact fatigue (RCF) stress capability in simplified 3-ball on rod (ASTM STP 771) fatigue tests. In the 3-ball tests, poor material quality and microstructural flaws negatively affect fatigue life but such relationships have not been established for full-scale 60NiTi bearings. In this paper, 3-ball-on-rod fatigue behavior of two quality grades of 60NiTi are compared to the fatigue life of full-scale 50mm bore ball bearings made from the same materials. 60NiTi RCF rods with material or microstructural flaws suffered from infant mortality failures at all tested stress levels while high quality 60NiTi rods exhibited no failures at lower stress levels. Similarly, tests of full-scale bearings made from flawed materials exhibited early surface fatigue and through crack type failures while bearings made from high quality material did not fail even in long-term tests. Though the full-scale bearing test data is yet preliminary, the results suggest that the simplified RCF test is a good qualitative predictor of bearing performance. These results provide guidance for materials development and to establish minimum quality levels required for successful bearing operation and life.

tribology↗

Computational discovery of ultra-strong, stable, and lightweight refractory multi-principal element alloys. Part I: design principles and rapid down-selection

Abstract Refractory metal-based multi-principal element alloys (MPEAs) are compelling materials for high-temperature (1000–2000 K) structural applications. However, only a minuscule fraction of their vast and heterogeneous compositional design space has been explored, leaving many potentially interesting alloys undiscovered. In this two-part work, a large region of the 11-element Al-Cr-Fe-Hf-Mo-Nb-Ta-Ti-V-W-Zr design space is computationally explored to identify refractory MPEAs with simultaneously high yield strength or specific yield strength and body-centered cubic (BCC) solid solution stability. In Part I , two case studies illuminate key factors and considerations in the yield strength versus phase stability tradeoff, provide guidelines for narrowing the expansive design space, and identify many candidates predicted to be stronger than refractory MPEAs reported to date, with BCC phase stability. Our findings indicate that medium entropy ternary alloys can outperform alloys with more elements and highlight the importance of exploring regions away from the equiatomic center of composition space.

36 MATERIALS SCIENCE↗

Fundamental Studies of Crystal Growth of Microporous Materials

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (1) Nature of the molecular units responsible for the crystal nuclei formation; (2) Nature of the nuclei and nucleation process; (3) Growth process of the nuclei into crystal; (4) Morphological control and size of the resulting crystal; (5) Surface structure of the resulting crystals; (6) Transformation of frameworks into other frameworks or condensed structures. The NASA-funded research described in this report focuses to varying degrees on all of the above issues and has been described in several publications. Following is the presentation of the highlights of our current research program. The report is divided into five sections: (1) Fundamental aspects of the crystal growth process; (2) Morphological and Surface properties of crystals; (3) Crystal dissolution and transformations; (4) Modeling of Crystal Growth; (5) Relevant Microgravity Experiments.

Dutta, P.↗

Fundamental Studies of Crystal Growth of Microporous Materials

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (a) Nature of the molecular units responsible for the crystal nuclei formation; (b) Nature of the nuclei and nucleation process; (c) Growth process of the nuclei into crystal; (d) Morphological control and size of the resulting crystal; (e) Surface structure of the resulting crystals; and (f) Transformation of frameworks into other frameworks or condensed structures.

Singh, Ramsharan↗

Recent progress in realizing novel one-dimensional polymorphs via nanotube encapsulation

Encapsulation of various materials inside nanotubes has emerged as an effective method in nanotechnology that facilitates the formation of novel one-dimensional (1D) structures and enhances their functionality. Because of the effects of geometrical confinement and electronic interactions with host nanotubes, encapsulated materials often exhibit low-dimensional polymorphic structures that differ from their bulk forms. These polymorphs exhibit unique properties, including altered electrical, optical, and magnetic behaviors, making them promising candidates for applications in electronics, energy storage, spintronics, and quantum devices. This review explores recent advancements in the encapsulation of a wide range of materials such as organic molecules, elemental substances, metal halides, metal chalcogenides, and other complex compounds. In particular, we focus on novel polymorphs formed through the geometrical confinement effect within the nanotubes. The atomic structure, other key properties, and potential applications of these encapsulated materials are discussed, highlighting the impact of nanotube encapsulation on their functionalities.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Milestone 4: Test plan for Reusable Hydrogen Composite Tank System (RHCTS). Task 3: Composite tank materials

This document is the detailed test plan for the series of tests enumerated in the preceding section. The purpose of this plan is to present the test objectives, test parameters and procedures, expected performance and data analysis plans, criteria for success, test schedules, and related safety provisions and to describe the test articles, test instrumentation, and test facility requirements. Initial testing will be performed to screen four composite materials for suitability for SSTO LH2 tank loads and environmental conditions. The laminates for this testing will be fabricated by fiber placement, which is the manufacturing approach identified as baseline for the tank wall. Even though hand layup will be involved in fabricating many of the internal structural members of the tank, no hand-layup laminates will be evaluated in the screening or subsequent characterization testing. This decision is based on the understanding that mechanical properties measured for hand-layup material should be at least equivalent to properties measured for fiber-placed material, so that the latter should provide no less than a conservative approximation of the former. A single material will be downselected from these screening tests. This material will be subsequently characterized for impact-damage tolerance and durability under conditions of mechanical and thermal cycling, and to establish a preliminary design database to support ongoing analysis. Next, testing will be performed on critical structural elements fabricated from the selected material. Finally, the 8-foot diameter tank article, containing the critical structural features of the full-scale tank, will be fabricated by fiber placement and tested to verify its structural integrity and LH2 containment.

Greenberg, H. S.↗

Design and Operation of a Fast, Thin-Film Thermocouple Probe on a Turbine Engine

As a demonstration of technology maturation, a thin-film temperature sensor probe was fabricated and installed on a F117 turbofan engine via a borescope access port to monitor the temperature experienced in the bleed air passage of the compressor area during an engine checkout test run. To withstand the harsh conditions experienced in this environment, the sensor probe was built from high temperature materials. The thin-film thermocouple sensing elements were deposited by physical vapor deposition using pure metal elements, thus avoiding the inconsistencies of sputter-depositing particular percentages of materials to form standardized alloys commonly found in thermocouples. The sensor probe and assembly were subjected to a strict protocol of multi-axis vibrational testing as well as elevated temperature pressure testing to be qualified for this application. The thin-film thermocouple probe demonstrated a faster response than a traditional embedded thermocouple during the engine checkout run.

thermocouples↗

Composition of the earth's upper mantle. II - Volatile trace elements in ultramafic xenoliths

Radiochemical neutron activation analysis was used to determine the nine volatile elements Ag, Bi, Cd, In, Sb, Se, Te, Tl, and Zn in 19 ultramafic rocks, consisting mainly of spinel and garnet lherzolites. A sheared garnet lherzolite, PHN 1611, may approximate undepleted mantle material and tends to have a higher volatile element content than the depleted mantle material represented by spinel lherzolites. Comparisons of continental basalts with PHN 1611 and of oceanic ridge basalts with spinel lherzolites show similar basalt: source material partition factors for eight of the nine volatile elements, Sb being the exception. The strong depletion of Te and Se in the mantle, relative to lithophile elements of similar volatility, suggests that 97% of the earth's S, Se and Te may be in the outer core.

Morgan, J. W.↗

Report of the Panel on Materials

Materials and manufacturing technology are critical to advanced aircraft and permeate all disciplines. Current aircraft systems employ a variety of materials, each selected to provide the best vehicle design in terms of performance, safety, reliability, manufacturability, and life cycle cost. However, a mistake in materials selection could bankrupt an airframe or engine manufacturer. Thus, the introduction of new materials is a slow process. Generally, new materials are used initially in noncritical components until their performance in service can be confirmed. Then, as confidence grows, they are used in more and more critical applications. Finally, if appropriate, new materials are used in critical, static elements and then in dynamic components. Thus, because the nominal time for development of a conventional monolithic material ranges from 5 to 10 years there is a 10- to 15- year lag between laboratory effort and introduction into service. Therefore, to assure the availability of materials suitable for production aircraft and engines in the year 2000, the concepts already must have been identified and must be progressing along evolutionary paths toward application. Trends, actual and projected, in the use of materials for commercial engines are shown in Figure 4-1. Related military applications are projected to follow similar paths. The new actor will be composites. The panel examined a wide range of materials important to all aspects of aircraft development, airframe structures, propulsion systems and for other important aircraft subsystems. These are addressed in the body of the report in terms of the current state of the art, opportunities for improvement, and barriers to achievement of projected benefits. This is followed by projections of the progress of technology that could be realized by the year 2000 with the application of appropriate resources.

Diefendorf, Russell J.↗

Tuning 2D magnetism in Fe 3+X GeTe 2 films by element doping

Two-dimensional (2D) ferromagnetic materials have been discovered with tunable magnetism and orbital-driven nodal-line features. Controlling the 2D magnetism in exfoliated nanoflakes via electric/magnetic fields enables a boosted Curie temperature (T C ) or phase transitions. One of the challenges, however, is the realization of high T C 2D magnets that are tunable, robust and suitable for large scale fabrication. Here, we report molecular-beam epitaxy growth of wafer-scale Fe 3+X GeTe 2 films with T C above room temperature. By controlling the Fe composition in Fe 3+X GeTe 2 , a continuously modulated T C in a broad range of 185–320 K has been achieved. This widely tunable T C is attributed to the doped interlayer Fe that provides a 40% enhancement around the optimal composition X = 2. We further fabricated magnetic tunneling junction device arrays that exhibit clear tunneling signals. Our results show an effective and reliable approach, i.e. element doping, to producing robust and tunable ferromagnetism beyond room temperature in a large-scale 2D Fe 3+X GeTe 2 fashion.

2D ferromagnetic material↗

Hygro-thermo-mechanical modeling of partially saturated air-entrained concrete containing dissolved salt and exposed to freeze-thaw cycles

Highlights: • A model for cyclic freezing of air-entrained concrete containing salt is proposed. • The freeze-thaw hysteresis, also including the effect of dissolved salt, is modeled. • The diffusive and convective flux of salt is coupled to the freeze-thaw processes. • The freeze-thaw response of air-entrained concrete containing salt is reproduced. • Liquid absorption from reservoirs increases with an increased concentration of salt. In cold regions, understanding the freeze-thaw behavior of air-entrained concrete is important for designing durable structures and assessing the remaining service life of existing structures. This study presents a hygro-thermo-mechanical multiphase model that describes the cyclic freeze-thaw behavior of partially saturated air-entrained concrete containing dissolved salt. An equilibrium and a non-equilibrium approach are adopted to model the ice formation, including the freeze-thaw hysteresis, inside the porous network. The model also considers the diffusive and convective transport of the dissolved salt coupled to the freeze-thaw processes. Two examples are presented to verify and highlight the capabilities of the model. The first example shows that the model is capable of reproducing the experimentally observed mechanical response of specimens containing NaC1-solutions of different concentrations. In the second example, a larger absorption of liquid from an external reservoir is obtained with an increasing salt concentration in the reservoir, which is consistent with experimental observations.

36 MATERIALS SCIENCE↗

Printed copper-nanoplate conductor for electro-magnetic interference

As one of the conductive ink materials with high electric conductivity, elemental copper (Cu) based nanocrystals promise for printable electronics. Here, single crystalline Cu nanoplates were synthesized using a facile hydrothermal method. Size engineering of Cu nanoplates can be rationalized by using the LaMer model and the versatile Cu conductive ink materials are suitable for different printing technologies. The printed Cu traces show high electric conductivity of 6 MS m -1 , exhibiting electro-magnetic interference shielding efficiency value of 75 dB at an average thicknesses of 11 μ m. Together with flexible alumina ceramic aerogel substrates, it kept 87% conductivity at the environmental temperature of 400 °C, demonstrating the potential of Cu conductive ink for high-temperature printable electronics applications.

Materials Science↗