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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
DOE OSTI2023

Using Artificial Microstructures to Understand Microstructure Property Relationship-Toughening Mechanisms in Metallic Glass (Final Report)

Metallic glasses are a new class of structural materials which exhibit exciting mechanical properties including high strength and elasticity. In terms of fracture toughness, the material class of metallic glasses spans a wide range; Some metallic glasses are extremely brittle and exhibit near ideal brittle behavior whereas others can be exceptional tough with values comparable to the toughest metals out there. Such large range of observed fracture toughness within the material class of metallic glasses is surprising as they have seemingly a very similar atomic structure. Therefore, we developed “artificial microstructures” which allows to decouple the various contribution of sample geometry, imperfection and structure. Specifically, we decouple variations in the alloys’ chemical composition and the atomic structure and quantified the resulting fracture toughness. Atomic structure of a metallic glass can be modified by the fictive temperature. The fictive temperature of a glass is the temperature at which the liquid metallic glass falls out of equilibrium upon colling and forms a glass. Upon further cooling the structure is maintained only thermal oscillations decrease due to a lower absolute temperature. We found that the effect of fictive temperature (same chemistry, different structural stages of the glass) is comparable to the variations of fracture toughness when the chemistry is varied. Hence, it appears that the subtle differences in the glass structure are responsible for the large range of fracture toughness’s observed. Our results reveal that fracture toughness within the material class of metallic glasses varies significantly and we found some example alloys with exceptional high resistance to fracture and others that are almost ideally brittle. Significant influences on the fracture toughness have the structure of the glass, its chemistry, and some imperfections in the structure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A macro-micro approach for identifying crystal plasticity parameters for necking and failure in nickel-based alloy haynes 282

Here, this work develops a two-scales macro-micro approach to address the challenge in calibrating crystal plasticity microstructural models when samples undergo necking prior to fracture. The crystal plasticity models are crucial for predicting the materials’ plastic deformation and failure at the microstructure level, identifying the materials’ intrinsic properties as well as investigating the microstructure-properties relationships. However, after necking occurs, the experimentally measured stress-strain curves fail to reflect the materials ‘true’ stress-strain behavior and cannot be directly fitted into crystal plasticity models. The proposed macro-micro approach employs a top-down strategy to address this challenge, which has been studied with experimental tests on precipitation-strengthened Ni-based superalloy Haynes® 282®. In this approach, a macro rate-dependent anisotropic plasticity model with Voce-type hardening and Rice-Tracey damage law is first utilized to model the deformation and failure of the tensile bar, and calibrated by matching the stress-strain curves, necking strain, and reduction of area. Especially, to match the testing results under different applied strain rates, the rate-sensitivity parameter m and saturation stress in the elasticity model are modified to incorporate dependence on the local strain rate. Then, the ‘true’ stress-strain behaviors are extracted from the necking zone of the macro-model, which are used to calibrate a micro-model with explicit microstructures and governed by an extended crystal plasticity law. The consistency between the micro-model and macro-model are enforced during calibration. The calibration outcomes from the crystal plasticity model elucidate the materials intrinsic properties for slip, hardening, and failure, which is vital for further investigations into the microstructure-properties relationship and for accurate prediction of the material behavior under various test and service conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Using post-processing heat treatments to elucidate precipitate strengthening of additively manufactured superalloy 718

The poor machinability and extensive work hardening of Ni-based superalloys makes additive manufacturing an attractive option for producing geometrically complex components with distinct microstructures. Although previous studies show recovery of high strength at room temperature, very few studies demonstrate successful properties at elevated temperatures required for industrial applications. Here, the objectives of this study are to present a post-build heat treatment for high strength across a wide temperature range, determine the strength contribution of nanoscale precipitating phases to the overall mechanical properties of superalloy 718, and from these, provide a comprehensive microstructure-property relationship for wrought and AM 718 to guide efforts to simulate the properties of AM components. Laser powder bed fusion–produced superalloy 718 was characterized at multiple length scales using scanning electron microscopy and transmission electron microscopy in the as-built condition and with multiple heat treatments designed to form combinations of γ', γ", and δ precipitates. Uniaxial tensile tests performed from room temperature to 600 °C on subsize specimens determined the yield strength, elastic modulus, ultimate tensile strength, fracture stress, and uniform elongation. Precipitates in this work proved to be weak barriers to dislocation motion through a dispersed barrier model, but they provided strength to the alloy through their consistent high density. The relative contribution to the yield strength from γ" remained consistent between 48% and 57% of the total strength up to 600 °C, the primary influence on the high temperature strength of superalloy 718. The strength factors for γ" and δ precipitates were found to trend inversely with tensile test temperature and may be attributable to the differences in precipitate coherency. A post-build heat treatment is recommended to maintain high strength at elevated temperatures. A quantitative microstructure-property relationship, dependent on precipitate size, density, and morphology, was derived and can estimate the yield strength across a wide temperature range applicable to the operational regimes for superalloy 718.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Laser powder bed fusion of ODS Fe–Cr–Al (0.3Zr, 0.3Y 2 O 3 ): Unveiling processing-microstructure- mechanical property relationships

Here, this study investigates the fabrication of oxide dispersion strengthened (ODS) Fe-Cr-Al alloys via laser powder bed fusion (LPBF) with strategic additions of 0.3 wt% Zr and 0.3 wt% Y 2 O 3 for enhanced mechanical performance in nuclear applications. Systematic processing parameter optimization yielded three distinct conditions: one low-density product with significant defects and two near-full-density materials with improved consolidation. Comprehensive characterization confirmed single-phase α-ferrite matrix formation with successful incorporation of Y-, Zr-, O-, and C-rich precipitates characteristic of ODS alloys. However, precipitate density remained low (∼10 7 cm −3 ), resulting in sink strength values substantially below optimal levels for radiation resistance. Microhardness values (mid-200s HV) correlated inversely with grain size following the Hall-Petch relationship, indicating grain boundary strengthening as the dominant mechanism rather than precipitation strengthening. The optimized processing conditions achieved excellent mechanical properties with room temperature yield strength of approximately 500 MPa and 30 % elongation, demonstrating superior strength-ductility synergy compared to other additively manufactured ODS materials and performance consistent with literature values for LPBF-processed ODS-FeCrAl alloys. This investigation reveals both the potential and limitations of LPBF processing for ODS Fe-Cr-Al alloys. While successful defect-free fabrication was achieved, results highlight the critical need for systematic optimization of processing parameters and post-processing heat treatments to enhance precipitate density for effective dispersion strengthening and radiation resistance while maintaining additive manufacturing advantages.

Additive manufacturing↗
NASA NTRS1989

Microstructure-mechanical property relationships for Al-Cu-Li-Zr alloys with minor additions of cadmium, indium or tin

Minor amounts of cadmium, indium or tin were added to a baseline alloy with the nominal composition of Al-2.4Cu-2.4Li-0.15Zr. These elements were added in an attempt to increase the age-hardening response of the material such that high strengths could be achieved through heat-treatment alone, without the need for intermediate mechanical working. The alloy variant containing indium achieved a higher peak hardness in comparison to the other alloy variations, including the baseline material, when aged at temperatures ranging from 160 C to 190 C. Tensile tests on specimens peak-aged at 160 indicated the yield strength of the indium-bearing alloy increased by approximately 15 percent compared to that of the peak-aged baseline alloy. In addition, the yield strength obtained in the indium-bearing alloy was comparable to that reported for similar baseline material subjected to a 6 percent stretch prior to peak-aging at 190 C. The higher strength levels obtaied for the indium-bearing alloy are attributed to increased number densities and homogeneity of both the T1 and theta-prime phases, as determined by TEM studies.

Blackburn, L. B.↗
NASA NTRSDate not supplied

Microstructure Quantification and Random Forest Regression Models for Li4Ti5O12–Ni Property Prediction

All-solid-state structural lithium-ion batteries are sought to enable all-electric propulsion in next generation aerospace concepts through improved safety and systems level weight savings. In this work, the influence of processing conditions on microstructural evolution was evaluated for anode composites of strain-free Li4Ti5O12 and metallic nickel current collector. Beyond size distributions, this study explored methods of quantifying microstructural features that describe changes in the spatial distribution and coalescence of nickel particles as a function of sample composition and sintering conditions. Processing-microstructure-property relationships were described by microstructure quantifiers including nickel particle count per area, nearest neighbor distance distribution, and edge-to-edge distance distribution. Machine learning methods were applied to compare the relative influence of processing conditions and microstructural features on electrical conductivity and mechanical strength to optimize for simultaneous energy storage and load bearing performance. Insights gained from this work inform future evaluation of alternative energy storage materials and microstructures for multifunctional performance, and generation of microstructural descriptors strengthens modeling across length scales.

anode↗
DOE OSTI2024

Machine-learning-assisted deciphering of microstructural effects on ionic transport in composite materials: A case study of Li 7 La 3 Zr 2 O 12 -LiCoO 2

The effective diffusivity of ionic species in multiphase materials is critical for the design and function of composite materials for electrochemical energy storage. In practice, effective diffusivity depends sensitively not only on the intrinsic diffusivities of constituting materials but also on their topological arrangement; nevertheless, these coupled contributions are oversimplified in most analytical models. Here, we combine atomistically informed mesoscale modeling and machine learning (ML) analysis to unravel how such features affect effective diffusivity in two-phase composites. Using the Li 7 La 3 Zr 2 O 12 -LiCoO 2 composite solid-state battery cathode as a model system, we compute effective diffusivity for 600 distinct dense polycrystalline microstructures with different topological configurations of grains, grain boundaries, and heterointerfaces. We verify that in addition to atomic-scale variabilities, microstructural feature diversity can significantly impact effective transport properties. Across the ensemble of test microstructures, this often results in bimodal distributions of effective diffusivity that encompass two qualitatively distinct operating mechanisms, which we identify via flux analysis. An ML approach reveals that the most critical determining factors for effective diffusivity are the connectivity of bulk phases and their heterointerfaces. The role of ionic mobility at the heterointerfaces is also discussed. These insights highlight the combined importance of microstructure and interface engineering in tuning the transport properties of ionic species in composite materials. In conclusion, our framework can also be extended for understanding generic microstructure-property relationships in other complex multiphase materials.

25 ENERGY STORAGE↗
DOE OSTI2023

The effects of radiation-induced grain subdivision and dislocations on the fracture properties of uranium dioxide

Microcantilever bending tests were applied on uranium dioxide samples irradiated by 84 MeV Xe ions. Depending on the initial grain sizes, different levels of grain subdivision and dislocation development were observed near the irradiated surface. These radiation damage features were shown to degrade the fracture properties of both samples. The fundamental aspects of the radiation-microstructure-property relationships were discussed in this paper, taking a holistic consideration of the microcantilever bending data, fractography and microstructures. The separate effects of the irradiation-induced grain subdivision and dislocations on the fracture initiation and propagation of uranium dioxide were discussed. In conclusion, it was observed that radiation-induced dislocations and grain subdivision, without the presence of Xe bubbles co-located with the defects, cause reductions in the Young's modulus, fracture strain, and fracture stress, and a transition to intergranular fracture.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A data-driven framework for permeability prediction of natural porous rocks via microstructural characterization and pore-scale simulation

Understanding the microstructure–property relationships of porous media is of great practical significance, based on which macroscopic physical properties can be directly derived from measurable microstructural informatics. However, establishing reliable microstructure–property mappings in an explicit manner is difficult, due to the intricacy, stochasticity, and heterogeneity of porous microstructures. In this paper, a data-driven computational framework is presented to investigate the inherent microstructure–permeability linkage for natural porous rocks, where multiple techniques are integrated together, including microscopy imaging, stochastic reconstruction, microstructural characterization, pore-scale simulation, feature selection, and data-driven modeling. A large number of 3D digital rocks with a wide porosity range are acquired from microscopy imaging and stochastic reconstruction techniques. A broad variety of morphological descriptors are used to quantitatively characterize pore microstructures from different perspectives, and they compose the raw feature pool for feature selection. Here high-fidelity lattice Boltzmann simulations are conducted to resolve fluid flow passing through porous media, from which reliable permeability references are obtained. The optimal feature set that best represents permeability is identified through a performance-oriented feature selection process, upon which a cost-effective surrogate model is rapidly fitted to approximate the microstructure-permeability mapping via data-driven modeling. This surrogate model exhibits great advantages over empirical/analytical formulas in terms of prediction accuracy and generalization capacity, which can predict reliable permeability values spanning four orders of magnitude. Besides, feature selection also greatly enhances the interpretability of the data-driven prediction model, from which new insights into the mechanism of how microstructural characteristics determine intrinsic permeability are obtained.

58 GEOSCIENCES↗
NASA NTRS1998

Microstructural and Mechanical Characterization of Shear Formed Aluminum Alloys for Airframe and Space Applications

Advanced manufacturing processes such as near-net-shape forming can reduce production costs and increase the reliability of launch vehicle and airframe structural components through the reduction of material scrap and part count and the minimization of joints. The current research is an investigation of the processing-microstructure-property relationship for shear formed cylinders of the Al-Cu-Li-Mg-Ag alloy 2195 for space applications and the Al-Cu-Mg-Ag alloy C415 for airframe applications. Cylinders which have undergone various amounts of shear-forming strain have been studied to assess the microstructure and mechanical properties developed during and after shear forming.

Troeger, L. P.↗
DOE OSTI2025

Additive manufacturing of metal matrix composites

Although Metal matrix composites (MMCs) are superior to most sought-after metallic alloys, their challenging fabricability has limited their widespread use in bulk-form applications. Among the many advanced fabrication techniques, Additive Manufacturing (AM), owing to its unique capabilities to produce near-net shapes, has drawn significant traction in the past two decades, especially for materials that are difficult to process using traditional methods. However, unlike pure metal/alloy systems, MMCs are highly sensitive to the processing conditions prevailing in AM techniques due to factors such as the high melting point of reinforcement particles and the potential for in-situ reactions. Therefore, it may be a while before metal matrix composites are commercially produced via AM. This review will discuss the current state-of-the-art design, fabricability, and performance of various additively manufactured MMCs. A particular focus will be on microstructural evolution and microstructure-property relationships. The most employed AM techniques, such as directed energy deposition, powder bed fusion, binder jetting, sheet lamination, and solid-state friction stir processing, are fundamentally different in terms of thermo-kinetics, forming the perspective for this review. A detailed comparison of microstructural evolution and process parameter optimization, including feedstock preparation methods and the role of machine learning and modeling among the different AM processes, is also presented. Finally, a critical evaluation of emerging AM technologies for MMCs is also provided, highlighting their potential advantages and challenges.

36 - MATERIALS SCIENCE↗
NASA NTRS1983

Siloxanes, silanes, and silazanes in the preparation of ceramics and glasses

The use of selected organosilicon compounds for the preparation of silicon based ceramic materials is discussed in terms of processing microstructure-property relationships. The mechanisms operative in the formation of gel derived silicate glasses and glass ceramics are reasonably well understood, but this is not true for silicon carbide/nitride based ceramics. The properties of organosilicon precursors and the mechanism of pyrolysis affect the microstructural features of the ceramic. Reaction mechanisms are proposed and the microstructural features and properties of organosilazane derived ceramics discussed.

Wills, R. R.↗
NASA NTRS2003

Alternative Processing of High Temperature Hafnium and Zirconium Based Materials

The behavior of refractory hafnium and zirconium based materials are being investigated at NASA Ames as part of ongoing research aimed at developing superior heat resistant materials for aerospace applications. Hafnium and zirconium diboride based materials have shown high temperature capabilities in simulated reentry environments indicating that these materials may successfully operate as reusable oxidation resistant components for leading edge applications. Due to the refractory nature of these materials, processing of fine-grained uniform microstructures poses a number of challenges. To better understand the process-property-microstructure relationship, processing of these materials has been carried out with conventional hot pressing in addition to the novel approach of Spark Plasma Sintering (SPS). The two processing methods are compared and contrasted in an evaluation of the sintering behavior of high temperature diboride based materials and preliminary physical and mechanical properties are presented.

Gasch, Matthew↗
NASA NTRSDate not supplied

Synchrotron Tomography of SiC/SiC Minicomposites to Observe and Quantify Damage Evolution

Composite performance is dictated by its microstructure – property relationships. For example, the characteristic response of ceramic matrix composites (CMCs) depends on the distribution of its constituents (i.e. fibers, matrix, fiber coatings, matrix cracks, and voids). Micro x-ray computed tomography (micro-CT) provides an opportunity to characterize the distribution of these constituents and to quantify the CMC microstructure in three-dimensions. To this end, In-situ micro-CT was performed at the Advanced Light Source (ALS) in combination with uniaxial tensile testing on SiC/SiC minicomposites. This work will describe the tensile load-dependent damage evolution within the microstructure of the SiC/SiC CMC specimens. The results from the micro-CT datasets can be used to develop micromechanical models that effectively capture damage initiation and progression in CMCs. In addition, details regarding the segmentation tools and techniques employed to understand and quantify these large tomography datasets will be presented.

Ashley Hilmas↗
DOE OSTI2021

Location-Dependent Mechanical Property Evaluation on Additively Manufacture Materials

This report summarizes research activities conducted at Argonne National Laboratory in support of the development, qualification and certification of additively manufactured (AM) metallic components to allow for innovative reactor design and licensing for the Transformational Challenge Reactor (TCR). Focus is on the evaluation of high temperature mechanical properties including creep and fatigue of 316L stainless steel manufactured by the laser powder bed fusion process. Creep behavior of AM 316L stainless steel was evaluated for rods printed by either or a combination of both lasers of the dual-laser system of a Concept Laser-M2 printer to examine the consistency across the build plate. Creep tests were conducted at temperatures of 550, 575, 600, and 650°C and stresses between 175 and 300 MPa using ASTM standard-sized specimens. The effect of heat treatments at different temperatures on creep properties of AM 316L SS was examined to understand the processing-microstructure-property relationship. Fatigue properties of AM 316L SS were investigated for two print geometries (rod and plate) and in two build orientations of printed plates. Locations of specimens in the build were carefully tracked such that the testing data can be directly related to location-specific in situ data to establish links between printing process, post-printing treatment, microstructure and mechanical properties. The work is to support the development of a digital platform informed approach to AM component qualification and certification for nuclear applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Baseplate Temperature–Dependent Vertical Composition Gradient in Pseudo–Bilayer Films for Printing Non–Fullerene Organic Solar Cells

Numerous previous reports on the sequential deposition (SD) technique have demonstrated that this approach can achieve a p–i–n active layer architecture with an ideal vertical composition gradient, which is one of the critical factors that can influence the physical processes that determine the photovoltaic performance of organic solar cells. Herein, a commonly used photovoltaic system comprised of PM6 as a donor and Y6 as an acceptor is investigated with respect to sequential blade–processing deposition to comprehensively explore the morphology characteristics as a function of baseplate temperature. A systematic study of the temperature–dependent blend morphology elucidates the SD–processed configuration merits and device physics behind temperature–controlled degree of vertical composition gradient, and constructs the temperature–microstructure–property relationship for the corresponding photovoltaic parameters. The result shows, as the temperature increases, the morphology of the active layer has undergone a distinct evolution from the pseudo–bulk heterojunction to a pseudo–planar heterojunction and then to a pseudo–planar bilayer, leading to a non–monotonic correlation between baseplate temperature and device performance. Further, this investigation not only reveals the importance of precisely controlling baseplate temperature for gaining vertical morphology control, but also provides a path toward rational optimization of device performance in the lab–to–fab transition.

14 SOLAR ENERGY↗
DOE OSTI2023

Heterogeneous microstructure of yttrium hydride and its relation to mechanical properties

Here, the goal of this study is to investigate the properties of yttrium hydride materials in relation to the microstructure, especially its homogeneity. High-throughput nanoindentation mapping was used to evaluate hardness distribution. Raman spectral imaging demonstrated its sensitivity to the presence of YH2 and impurities. Raman peak position maps were correlated with residual stress in the specimens. Electron backscatter diffraction mapping provided phase distributions with correlation to high-energy X-ray diffraction analysis. The experimental mapping data were combined and analyzed using unsupervised machine learning cluster procedures. The machine learning analysis revealed that yttrium hydride specimens contained a major δ-YH2 – x phase component and minor α-Y and δ-YH2 – x components with significant residual stress. The minor phase fraction decreased with increasing nominal H/Y ratio, which affected the nanoindentation and Vickers hardness. The multimodal mapping procedures described herein affect developing important microstructure–property relationships, as well as correlations in heterogeneity and mechanical properties.

36 MATERIALS SCIENCE↗