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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

TPSAS-NF1676L-13792-DND

Extreme structural requirements of future aerospace vehicles motivate the development of new, ultra-durable materials and game-changing methodologies for material certification and sustainment. Computational simulations spanning many orders of magnitude in length and time scales—from the nanoscale of underlying damage processes to the larger scales of continuum cracks—are being developed to support these requirements. Results of these simulations are used to deduce key aspects of material response to loads and environments, including: - The microstructural mechanics that govern metal fatigue crack initiation and growth - The variety and complexity of the dislocation-precipitate interac- tions that underpin plastic behavior and damage evolution - The energetic principles that govern the interaction of water with crack surfaces within a structural component - The mechanics of grain boundary separation Modeling the physics behind these metal fatigue behaviors is extremely complex, and requires intensive, high-fidelity simulations. The knowledge gained through these simulations, however, is forming the keystone for advanced material design and will enable development of more capable, reliable structures for aerospace vehicles.

Jacob Hochhalter↗
NASA NTRSDate not supplied

Development of Directed Energy Deposited NASA HR-1 to Optimize Properties for Liquid Rocket Engine Applications

Metal additive manufacturing (AM) processes have been demonstrated to be effective at reducing costs and lead times associated with fabrication of complex propulsion component designs. Laser powder directed energy deposition (LP-DED) and laser powder bed fusion (L-PBF) are metal AM technologies that have effectively been used to produce a variety of parts for space applications. These technologies have enabled new designs and materials for these applications. The National Aeronautics and Space Administration (NASA) has identified the need to develop and advance new materials in unique space applications such as high-pressure hydrogen environments. One such metal alloy being developed for these applications is NASA HR-1. A high-strength Fe-Ni based superalloy, NASA HR-1 was designed to resist high pressure hydrogen environment embrittlement, oxidation, and corrosion. AM technologies have enabled the manufacturing of NASA HR-1 to be a feasible material for components in hydrogen environments. Development efforts for NASA HR-1 have completed build and heat treatment optimization, material characterization, thermophysical property testing, and mechanical testing in air and hydrogen environments to mature the understanding of the material. This poster will summarize the development of NASA HR-1 for AM including composition and heat treatment optimization, microstructure characterization, and results of mechanical testing in air and high pressure hydrogen.

NASA HR-1↗
NASA NTRSDate not supplied

Development and Optimization of Additively Manufactured NASA HR-1 for Space Applications

Metal additive manufacturing (AM) processes have been demonstrated to be effective at reducing costs and lead times associated with fabrication of complex propulsion component designs. Laser powder directed energy deposition (LP-DED) and laser powder bed fusion (L-PBF) are metal AM technologies that have effectively been used to produce a variety of parts for space applications. These technologies have enabled new designs and materials for these applications. The National Aeronautics and Space Administration (NASA) has identified the need to develop and advance new materials in unique space applications such as high-pressure hydrogen environments. One such metal alloy being developed for these applications is NASA HR-1. A high-strength Fe-Ni based superalloy, NASA HR-1 was designed to resist high pressure hydrogen environment embrittlement, oxidation, and corrosion. AM technologies have enabled the manufacturing of NASA HR-1 to be a feasible material for components in hydrogen environments. Development efforts for NASA HR-1 have completed build and heat treatment optimization, material characterization, thermophysical property testing, and mechanical testing in air and hydrogen environments to mature the understanding of the material. This presentation will summarize the development of NASA HR-1 for AM including composition and heat treatment optimization, microstructure characterization, and results of mechanical testing in air and high pressure hydrogen.

Additive Manufacturing↗
DOE OSTI2014

Role of the interface on radiation damage in the SrTiO{sub 3}/LaAlO{sub 3} heterostructure under Ne{sup 2+} ion irradiation

We systematically investigated the microstructural evolution of heteroepitaxial SrTiO{sub 3} (STO) thin films grown on a single crystal LaAlO{sub 3} (LAO) (001) substrate, focusing on the response of the STO/LAO interface to Ne{sup 2+} irradiation at room temperature. Cross sectional transmission electron microscope (TEM) analysis reveals that the LAO crystal amorphizes first after a relatively low dose of damage followed by the amorphization of the STO film after irradiation to a higher dose. While the critical dose to amorphize differs between each material, amorphization begins at the interface and proceeds outward in both cases. Thus, a crystalline/amorphous interface first forms at the STO/LAO interface by a dose of 1 dpa, and then an amorphous/amorphous interface forms when the dose reaches 3 dpa. Scanning TEM and x-ray energy dispersive spectroscopy indicate no significant heavy cation elemental diffusion, though electron energy loss spectroscopy reveals a redistribution of oxygen across the film/substrate interface after Ne{sup 2+} irradiation. Atomistic calculations are used to interpret the experimental findings in terms of the defect properties in each of the two component phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

An overview—Functional nanomaterials for lithium rechargeable batteries, supercapacitors, hydrogen storage, and fuel cells

Graphical abstract: Nanomaterials play important role in lithium ion batteries, supercapacitors, hydrogen storage and fuel cells. - Highlights: • Nanomaterials play important role for lithium rechargeable batteries. • Nanostructured materials increase the capacitance of supercapacitors. • Nanostructure improves the hydrogenation/dehydrogenation of hydrogen storage materials. • Nanomaterials enhance the electrocatalytic activity of the catalysts in fuel cells. - Abstract: There is tremendous worldwide interest in functional nanostructured materials, which are the advanced nanotechnology materials with internal or external dimensions on the order of nanometers. Their extremely small dimensions make these materials unique and promising for clean energy applications such as lithium ion batteries, supercapacitors, hydrogen storage, fuel cells, and other applications. This paper will highlight the development of new approaches to study the relationships between the structure and the physical, chemical, and electrochemical properties of functional nanostructured materials. The Energy Materials Research Programme at the Institute for Superconducting and Electronic Materials, the University of Wollongong, has been focused on the synthesis, characterization, and applications of functional nanomaterials, including nanoparticles, nanotubes, nanowires, nanoporous materials, and nanocomposites. The emphases are placed on advanced nanotechnology, design, and control of the composition, morphology, nanostructure, and functionality of the nanomaterials, and on the subsequent applications of these materials to areas including lithium ion batteries, supercapacitors, hydrogen storage, and fuel cells.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Predicting oxidation-limited lifetime of thin-walled components of NiCrW alloy 230

Using alloy 230 as an example, a generalized oxidation lifetime model for chromia-forming Ni-base wrought alloys is proposed, which captures the most important damaging oxidation effects relevant for component design: wall thickness loss, scale spallation, and the occurrence of breakaway oxidation. For deriving input parameters and for verification of the model approach, alloy 230 specimens with different thicknesses were exposed for different times at temperatures in the range 950–1050 °C in static air. The studies focused on thin specimens (0.2–0.5 mm) to obtain data for critical subscale depletion processes resulting in breakaway oxidation within reasonably achievable test times up to 3000 h. The oxidation kinetics and oxidation-induced subscale microstructural changes were determined by combining gravimetric data with results from scanning electron microscopy with energy dispersive X-ray spectroscopy. The modeling of the scale spallation and re-formation was based on the NASA cyclic oxidation spallation program, while a new model was developed to describe accelerated oxidation occurring after longer exposure times in the thinnest specimens. The calculated oxidation data were combined with the reservoir model equation, by means of which the relation between the consumption and the remaining concentration of Cr in the alloy was established as a function of temperature and specimen thickness. Based on this approach, a generalized lifetime diagram is proposed, in which wall thickness loss is plotted as a function of time, initial specimen thickness, and temperature. As a result, the time to reach a critical Cr level at the scale/alloy interface of 10 wt% is also indicated in the diagrams.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Mechanistic materials modeling for nuclear fuel performance

Fuel performance codes are critical tools for the design, certification, and safety analysis of nuclear reactors. However, their ability to predict fuel behavior under abnormal conditions is severely limited by their considerable reliance on empirical materials models correlated to burn-up (a measure of the number of fission events that have occurred, but not a unique measure of the history of the material). In this paper, we propose a different paradigm for fuel performance codes to employ mechanistic materials models that are based on the current state of the evolving microstructure rather than burn-up. In this approach, a series of state variables are stored at material points and define the current state of the microstructure. The evolution of these state variables is defined by mechanistic models that are functions of fuel conditions and other state variables. The material properties of the fuel and cladding are determined from microstructure/property relationships that are functions of the state variables and the current fuel conditions. Multiscale modeling and simulation is being used in conjunction with experimental data to inform the development of these models. Finally, this mechanistic, microstructure-based approach has the potential to provide a more predictive fuel performance capability, but will require a team of researchers to complete the required development and to validate the approach.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Creep anisotropy modeling and uncertainty quantification of an additively manufactured Ni-based superalloy

The advantages offered by additive manufacturing over traditional processes has driven a great deal of industrial and academic interest in recent years. However, the process is relatively new and requires additional investigation to become sufficiently mature for wide scale industrial adoption. Electron beam melting powder bed fusion is one technology that has shown promise for fabricating high temperature resistant materials such as nickel based superalloys. The resulting microstructures typically exhibit a strong fiber texture in the build direction giving rise to anisotropic time-dependent deformation behavior. In order to accelerate the qualification of these materials for industrial adoption accurate numerical models are needed for simulating their behavior. In this work a crystal plasticity model including non-Schmid effects is presented for capturing creep anisotropy observed in additively manufactured IN738LC. The model is calibrated via a probabilistic framework where model parameters are treated as random variables. An iterative sequential design strategy is utilized to efficiently identify the probability density of the unknown model parameters. As a case study the model is utilized to investigate the behavior of randomly oriented equiaxed grain clusters sometimes observed embedded in the additively manufactured columnar structure. A synthetic realization is simulated and uncertainty is propagated through to the full-field response. Results indicate that these features are the source of significant creep relaxation and strain accumulation which partially explains observed grain boundary decohesion at these locations.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Postirradiation Examination of FUTURIX-FTA metallic alloy experiments

Two different metallic nuclear fuel alloys intended for transmutation applications in fast neutron spectrum nuclear reactors have been irradiated, and their performance has been evaluated after irradiation. These alloys contained elevated levels of plutonium and other minor actinides (Am, Np) compared to historically irradiated fast reactor fuel to ascertain the impact of these isotopes on fuel performance. The irradiation of these alloys was performed at the Phénix fast reactor in France to facilitate comparisons between true fast spectrum irradiations and pseudo-fast spectrum irradiations performed at the thermal neutron spectrum Idaho National Laboratory Advanced Test Reactor. The irradiation tests were designated FUTURIX-FTA DOE1 which contained a low-fertile alloy and FUTURIX-FTA DOE2 which contained a non-fertile alloy. The DOE1 fuel was irradiated to a measured burnup of 9.5 % fissions per initial heavy metal atom (FIMA), and the DOE2 fuel was irradiated to a measured burnup of 12.7 % fissions per initial heavy metal atom. This work reports baseline Postirradiation Examination (PIE) results for DOE1 and DOE2. Fuel swelling, fission product distribution, cladding strain, fission gas release, fuel microstructure, fuel cladding chemical interaction and minor actinide transmutation were all evaluated. Cladding strain was negligible and fission gas release was 52% for DOE1 and 69% for DOE2. The exams show the 2 pins behaved very similar to EBR-II metallic fuel experience. Minor actinides seem to not affect the performance of this candidate transmutation fuel. As a result, performance data from these irradiations can be used to inform the feasibility of minor actinide transmutation in future reactor systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

A superior combination of strength-ductility in CoCrFeNiMn high-entropy alloy induced by asymmetric rolling and subsequent annealing treatment

Highlights: • Asymmetric rolling was carried out to process bulk single face-centered-cubic (FCC) CoCrFeMnNi HEA. • A gradient microstructure and smaller average grain size was obtained through Asymmetric rolling and annealing process. • The processed alloys after Asymmetric rolling exhibits a superior combination of the high strength and good ductility. - Abstract: CoCrFeMnNi high-entropy alloy with a smaller average grain size and gradient microstructure was produced by asymmetric rolling (ASR) and subsequent annealing treatment, which gave rise to a superior combination of strength-ductility. High back stress, working hardening and geometrically necessary dislocations were detected in the gradient structure. The ultra-high strength of the CoCrFeMnNi high-entropy alloy was related to the fine grain and high back-stress, while the superior ductility was ascribed to the gradient structure and fine grain. ASR followed by annealing might be a novel strategy for designing high entropy alloys with high performance.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Improving creep resistance of Al-0.27Zr-0.08Sn (wt%) via cold swaging while maintaining high electrical conductivity

This study investigates the effect of mechanical cold work (0, 50, and 90% cross-sectional area reduction via swaging) on the creep properties of cast aluminum alloys with high electrical conductivity including high-purity Al (HP-Al), Al-0.15Zr (Al-Zr), and Al-0.27Zr-0.08Sn (Al-Zr-Sn, wt%). The Al-Zr alloy is strengthened by Zr in solid solution while the Al-Zr-Sn alloy is additionally strengthened by Al3Zr nanoprecipitates (8 nm diameter). After 90% cold swaging, the alloys exhibit grains elongated along the swaging direction with their widths ranging between 8 and 152 μm perpendicular to the swaging direction. Creep testing at 200 °C shows that the minimum creep rate of all 90% swaged alloys shows high sensitivity to stress, which can be modeled via a threshold stress σth. Increasing swaging magnitude from 0 to 50 to 90% in Al-Zr-Sn improves the creep resistance without reducing electrical conductivity. The formation of subgrains, increased dislocation density, and columnar grain structure in swaged alloys all enhance creep resistance. HP-Al swaged to 90% exhibits much lower creep resistance (σth = 18 MPa) due to subgrain coarsening and the absence of precipitates compared to Al-Zr (σth = 40 MPa) and Al-Zr-Sn (σth = 40 MPa), which maintain stable subgrain structures and benefit from solid solution strengthening and Al3Zr nanoprecipitates, respectively. Although Al3Zr precipitates are known to stabilize the deformed microstructure by pinning grain-boundaries, this work demonstrates that Zr in solid solution alone can effectively stabilize the deformed microstructure resulting in enhanced creep resistance. This effect of Zr solute on stabilizing grain boundaries for creep performance was not previously well-defined in the literature. Despite similar creep performances of Al-Zr and Al-Zr-Sn, the latter shows 70% higher room-temperature microhardness and slightly improved electrical conductivity (56%IACS (International Annealed Copper Standard) vs. 57%IACS, respectively). This work provides new insights into creep mechanisms of cold-worked Al–Zr alloys that will guide the design of heat-resistant Al conductors for high-demand applications.

Coello ramirez, Ismael [Northwestern University,]↗
DOE OSTI2019

Dictating Pt-Based Electrocatalyst Performance in Polymer Electrolyte Fuel Cells, from Formulation to Application

In this study, in situ electrochemical diagnostics designed to probe ionomer interactions with platinum and carbon were applied to relate ionomer coverage and conformation, gleaned from anion adsorption data, with O 2 transport resistance for low-loaded (0.05 mg Pt cm -2 ) platinum-supported Vulcan carbon (Pt/Vu)-based electrodes in a polymer electrolyte fuel cell. Coupling the in situ diagnostic data with ex situ characterization of catalyst inks and electrode structures, the effect of ink composition is explained by both ink-level interactions that dictate the electrode microstructure during fabrication and the resulting local ionomer distribution near catalyst sites. Electrochemical techniques (CO displacement and ac impedance) show that catalyst inks with higher water content increase ionomer (sulfonate) interactions with Pt sites without significantly affecting ionomer coverage on the carbon support. Surprisingly, the higher anion adsorption is shown to have a minor impact on specific activity, while exhibiting a complex relationship with oxygen transport. Ex situ characterization of ionomer suspensions and catalyst/ionomer inks indicates that the lower ionomer coverage can be correlated with the formation of large ionomer aggregates and weaker ionomer/catalyst interactions in low-water content inks. These larger ionomer aggregates resulted in increased local oxygen transport resistance, namely, through the ionomer film, and reduced performance at high current density. In the water-rich inks, the ionomer aggregate size decreases, while stronger ionomer/Pt interactions are observed. The reduced ionomer aggregation improves transport resistance through the ionomer film, while the increased adsorption leads to the emergence of resistance at the ionomer/Pt interface. Overall, the high current density performance is shown to be a nonmonotonic function of ink water content, scaling with the local gas (H 2 , O 2 ) transport resistance resulting from pore, thin film, and interfacial phenomena.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

Multi-scale study of the deformation mechanisms of thermoelectric p-type half-Heusler Hf 0.44 Zr 0.44 Ti 0.12 CoSb 0.8 Sn 0.2

Increasing the figure of merit ZT of thermoelectric (TE) alloys is a challenge that is currently attempted through various metallurgy methods, including nanostructuring and dislocation engineering. Microstructures with such a level of complexity raise questions about the mechanical reliability of these new materials. Indeed, despite the values of hardness and elastic modulus known for the clear majority of TE materials, the data on deformation mechanisms are still rare. Focusing on the nanostructured p-type half-Heusler Hf 0.44 Zr 0.44 Ti 0.12 CoSb 0.8 Sn 0.2 , our multi-scale study aims to analyze the deformation mechanisms. Experiments conducted at macro-, meso-, and micro-scale are designed to trigger and assess plasticity mechanisms. Compression testing on bulk samples subject to a confining pressure environment and temperature leads to an exclusive brittle failure. The mixed-mode failure mechanisms involve switching between intra- and inter-granular crack propagation, depending on the grain size met by the crack tip. Cube-corner nanoindentation at meso-scale generates cracks and enables fracture toughness estimation, while TEM analysis of the crack tip area confirms no dislocation activity and 3D-Electron Back Scattered Diffraction technique confirms the mixed crack propagation behavior. At micro-scale, micro-pillar compression stress-strain curves and failure mechanisms are comparable with bulk samples testing analysis. These results can be used to provide design guidelines for more crack-resistant TE alloys.

Thermoelectricity↗
DOE OSTI2023

A Deep Learning Pipeline for Optimizing Large-scale Phase Field Simulations

Phase field (PF) simulations are computationally expensive but remain a key analysis tool to understand the complex mechanisms of additive manufacturing (AM) processes. Each PF simulation-aided analysis requires thousands of node hours on leadership-class supercomputers. One of the main goals of these analyses is the study of microstructure evolution during the build process which begins with the onset of nucleation. Nucleation occurs under certain thermomechanical conditions which are not known a priori and many PF simulations are required to identify ranges of input thermo-mechanical parameters that can result in the onset of nucleation. Since many of the simulations do not result in nucleation, an analysis campaign often ends up wasting tremendous amounts of precious computing resources executing nucleation-absent simulations. The goal of this work is to design and train deep learning models to inform a PF simulation about the likelihood of the occurrence of nucleation in a future simulation time-step based on the state summary over a finite number of past time-steps of a running simulation. If the prediction determines that the running simulation is unlikely to reach nucleation in the allotted time, then its execution is stopped immediately ultimately resulting in vast reduction in wasted computations when accrued over all the PF simulations typically performed in a single or multiple analysis campaign(s). The paper presents the performance of a machine learning pipeline that uses a convolutional neural network (CNN) model to learn an embedding which is then used with a self-attention network to build a multi-task deep learning model to predict the likelihood of nucleation. The model also predicts the input parameters used in a simulation. Performance is compared with a baseline pipeline that uses an off-the-shelf LeNet-5 model to learn the initial embedding. Despite their smaller size, performance results indicate significant improvement in accuracy of the proposed models compared to the larger baseline models.

Kannan, Ramakrishnan {ramki}↗
NASA NTRS1994

Multiple Concentric Cylinder Model (MCCM) user's guide

A user's guide for the computer program mccm.f is presented. The program is based on a recently developed solution methodology for the inelastic response of an arbitrarily layered, concentric cylinder assemblage under thermomechanical loading which is used to model the axisymmetric behavior of unidirectional metal matrix composites in the presence of various microstructural details. These details include the layered morphology of certain types of ceramic fibers, as well as multiple fiber/matrix interfacial layers recently proposed as a means of reducing fabrication-induced, and in-service, residual stress. The computer code allows efficient characterization and evaluation of new fibers and/or new coating systems on existing fibers with a minimum of effort, taking into account inelastic and temperature-dependent properties and different morphologies of the fiber and the interfacial region. It also facilitates efficient design of engineered interfaces for unidirectional metal matrix composites.

Williams, Todd O.↗
DOE OSTI2019

Microstructure, fatigue, and impact toughness properties of additively manufactured nickel alloy 718

A complete understanding of processing-structure-property-performance relationship of additively manufactured (AM) components are critical from an application standpoint. Therefore, in the current investigation, a comprehensive microstructural characterization and mechanical properties (tensile, fatigue and impact toughness) evaluation of nickel alloy 718 AM by the laser powder bed fusion (L-PBF) technique have been performed. AM builds were made from powders manufactured via different atomization conditions. Although the standard post-heat treatment procedure led to the removal of severe interdendritic segregation both grain boundary and intra-grain precipitation of d phase occurred. Regardless of d phase presence, axial fatigue properties of both the AM builds were similar to design handbook wrought fatigue data. However, due to the d phase, impact toughness properties were comparable to the wrought material conditions that exhibited d phase. Fractured surfaces of Charpy impact samples exhibited crack propagation extensively along the boundaries decorated by d precipitates.

Komarasamy, Mageshwari↗
DOE OSTI2025

In situ probing of structure and deagglomeration of SnO 2 colloids via small-angle X-ray scattering

Transforming dry nanopowders into stable colloidal dispersions remains challenging due to the cohesive forces between the nanoparticles (NPs) which promote agglomeration. Effective dispersion and deagglomeration of these agglomerates is a critical process in the formulation and preparation of nanoparticle-based functional materials via the colloidal route. Understanding the deagglomeration dynamics provides information to improve microstructural quality in various applications by enabling engineering of agglomerate size, structure and morphology. However, the deagglomeration process dynamics with respect to the evolution of the fractal agglomerate structures, particularly for very small NPs, is still poorly understood and requires further investigation. This study employs in situ small-angle X-ray scattering (SAXS) to investigate the sonication-induced deagglomeration of SnO 2 NPs. Electrostatically stabilized SnO 2 colloids with varying primary particle size (6–21 nm) are investigated in a specifically designed in situ cell using synchrotron-based SAXS to study the influence of sonication time and intensity on the nanoscaled agglomerates. Complete structural analysis via SAXS reveals a direct correlation between changes in agglomerate size and structure, size-dependent deagglomeration behavior and a dependence on the overall energy introduced during sonication into the dispersion regardless of the actual power as well as ultrasonic process parameters in case of SnO 2 NPs. The results suggest that control of the dispersion process during ultrasonic deagglomeration results in tailoring agglomerates with respect to size and structure.

Deagglomeration↗