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All sources NASA NTRS DOE OSTI

DOE OSTI2026

Synthesis, Characterization, and Testing of High-Lithium-Density Composite Breeders

Solid tritium breeder materials must first and foremost have sufficiently high concentrations of lithium to enable a plant-scale tritium breeding ratio greater than 1:1. However, in addition to lithium content, such breeder materials must also meet other performance metrics including high tritium release rates, thermal conductivities, and irradiation damage tolerance. Perhaps most importantly, tritium breeders must maintain their mechanical integrity during reactor operation so as to avoid degradation which can jeopardize the functionality of the tritium breeder blanket module, which in most designs takes the form of a pebble bed geometry. Unfortunately, the mechanical robustness of most lithium-bearing ceramics under investigation for fusion applications is often inversely related to the lithium atom density. For example, a material such as lithium oxide (Li2O), which has one of the highest lithium atom densities, has a much lower mechanical splitting strength than lithium metatitanate (Li2TiO3), though Li2TiO3 has less than half the lithium atom density of Li2O. This work seeks to provide an alternative to monolithic ceramic tritium breeders, in the form of metal-reinforced composite tritium breeders. Specifically, composite tritium breeders have been synthesized combining Li2O with various ferrous metal reinforcements via electric field assisted sintering (EFAS), also known as spark plasma sintering (SPS). As the metal reinforcement content is increased, metallic networks are observed, via electron microscopy and X-ray computed tomography, to form throughout the composite material. Through destructive mechanical testing, even dilute metal reinforcement loading enables drastic mechanical strength improvements over pure Li2O while higher loadings give rise to quasi-ductile behavior and higher ultimate strengths than Li2TiO3 – while still maintaining a higher density of lithium atoms than Li2TiO3 and many other breeder candidates. In addition to microstructural characterization and mechanical testing, thermal property measurements and hydrogen permeability testing are underway to further assess the suitability of such composites for fusion reactor applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

A Technique for the Quantitative Characterization of Weld Microstructure and Application to Mo Welds

The choice of weld parameters determines the size, shape, and curvature of grains in the fusion zone (FZ) and heat-affected zone (HAZ) of welds while the mechanical properties of the welds are correlated to this microstructure. Here, a new technique to quantitatively evaluate these microstructural characteristics in both zones of welds has been applied to molybdenum gas tungsten arc welds fabricated using different weld parameters. Trends in microstructural characteristics in the FZ and HAZ were evaluated and correlated with changes to heat input, weld speed, and weld technique. The use of this approach showed that a 20 pct decrease in heat input caused a 20 pct decrease in the number of FZ grains with aspect ratios ≥ 4. The orientations of the FZ grain segments as a function of distance from the FZ centerline were significantly affected by the weld speed and its effect on weld pool shape. A 50 pct increase in weld speed caused a 20 pct decrease in grain segments orientated 60 to 90 deg from the normal to the direction of welding. This technique also captured differences in grain sizes and grain size anisotropy in the FZ between welds made with a constant current, pulsed current, and use of a 4-pole-magnetic oscillator.

36 MATERIALS SCIENCE↗

NASA NTRS2018

Systems and Methods for Post-Treatment of Dry Adhesive Microstructures

Provided are systems and methods for the post-treatment of dry adhesive microstructures. The microstructures may be post-treated to comprise mushroom-like flaps at their tips to interface with the contact surface. In some aspects, a change in material composition of the microstructures in a dry adhesive may affect mechanical properties to enhance or diminish overall adhesive performance. For example, conductive additives can be added to the material to improve adhesive performance. In other aspects, microstructures comprising conductive material may allow for pre-load engagement sensing systems to be integrated into the microstructures.

Dadkhah Tehrani, Mohammad↗

DOE OSTI2022

Systems and methods for post-treatment of dry adhesive microstructures

Provided are systems and methods for the post-treatment of dry adhesive microstructures. The microstructures may be post-treated to comprise mushroom-like flaps at their tips to interface with the contact surface. In some aspects, a change in material composition of the microstructures in a dry adhesive may affect mechanical properties to enhance or diminish overall adhesive performance. For example, conductive additives can be added to the material to improve adhesive performance. In other aspects, microstructures comprising conductive material may allow for preload engagement sensing systems to be integrated into the microstructures.

Dadkhah Tehrani, Mohammad↗

DOE OSTI2026

Controlling homogenization length scales and microstructure in additively manufactured Ti-Ta functionally graded materials

Materials with smooth compositional gradients or functionally grade materials (FGMs) produced via additive manufacturing (AM), enables joining dissimilar materials and optimizing multiple properties in advanced engineering applications. However, as-printed AM microstructures exhibit micro-segregation and solidification defects which, when combined with controlling macroscale gradient properties, complicates necessary post-processing. Here, we use CALPHAD-informed diffusion modelling to design post-processing heat treatments for lightweight to refractory FGMs. Ti-Ta (0 to 85 at. % Ta) FGMs were fabricated using laser-based directed energy deposition AM. Post-processing heat treatments at 1000° C and 1500° C were designed to promote homogenization across specific length scales and experimentally validated. Investigation of chemical segregation and microstructures demonstrated that the length scale of homogenization is controlled as a function of time, temperature, and local composition. Ta-rich regions exhibited incomplete homogenization compared to Ti-rich layers. Unmelted Ta particles were found to completely dissolve at 1500 °C. By controlling cooling rate (200 °C/min), martensitic structures were produced between 14–36 at. % Ta, consistent with martensite-start temperatures calculations, while furnace cooling (2 °C/min) produced α+β morphologies. This work establishes a validated predictive framework for designing post-processing to tailor microstructure and chemical architecture in AM FGMs, facilitating their deployment in demanding environments.

Materials science↗

NASA NTRS2023

Metallurgical Factors that Govern ST Properties in Commercial 2219-T87 Thick Plate

This report is contained within a NASA Engineering & Safety Center (NESC) assessment of the variability in short-transverse (ST) mechanical properties of commercial lots of 12.7-cm-thick 2219-T87 plate. The document comprises a review of the potential metallurgical reasons for the variations in ST tensile ductility and fracture behavior observed. Preliminary data from through-thickness mechanical testing and microstructural analyses conducted early in the investigation are referenced. The report concludes with a summary of considerations for the NESC based on the key results of this literature survey.

Aluminum alloy↗

DOE OSTI2023

An ICME Modeling Framework for Titanium/Tungsten-Carbide Metal Matrix Composites

This report describes a collaborative project to develop a validated, predictive model for the high temperature mechanical properties of a titanium-matrix, tungsten-carbide/cobalt-reinforced metal matrix composite. The modeling approach was to first develop a detailed, microstructural model linking the material structure and the interfacial debonding properties to the effective properties of the material. The project then completed a throughput simulation campaign to generate a large number of simulations for discrete microstructures and different debonding parameters. Finally, the project trained a fast, Gaussian process surrogate model against this simulation database to provide a quick model linking the material compositions, structure, and processing parameters to the resulting material properties. This model was validated against high temperature tensile test data on a few particular composite compositions. The tests validate the model predictions for ultimate tensile strength and uniform elongation/ductility, meaning the final surrogate model can now be used to tune the material composition and processing parameters to identify optimal composite compositions for particular applications.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Parameters, Properties, and Process: Conditional Neural Generation of Realistic SEM Imagery Toward ML-Assisted Advanced Manufacturing

Abstract The research and development cycle of advanced manufacturing processes traditionally requires a large investment of time and resources. Experiments can be expensive and are hence conducted on relatively small scales. This poses problems for typically data-hungry machine learning tools which could otherwise expedite the development cycle. We build upon prior work by applying conditional generative adversarial networks (GANs) to scanning electron microscope (SEM) imagery from an emerging advanced manufacturing process, shear-assisted processing and extrusion (ShAPE). We generate realistic images conditioned on temper and either experimental parameters or material properties. In doing so, we are able to integrate machine learning into the development cycle, by allowing a user to immediately visualize the microstructure that would arise from particular process parameters or properties. This work forms a technical backbone for a fundamentally new approach for understanding manufacturing processes in the absence of first-principle models. By characterizing microstructure from a topological perspective, we are able to evaluate our models’ ability to capture the breadth and diversity of experimental scanning electron microscope (SEM) samples. Our method is successful in capturing the visual and general microstructural features arising from the considered process, with analysis highlighting directions to further improve the topological realism of our synthetic imagery.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Microstructure Clones

Background: A material’s microstructure drives its material performance. Contemporary crystal plasticity experiments compare full-field strain measurements of polycrystal specimens to models. Because each specimen is unique, it is impossible to know which features of the observed deformation are deterministic vs statistical; thus, differences between model and experiment may or may not be significant. Objective: This paper introduces the invention of microstructure clones. Microstructure clones are 2D oligocrystal specimens that have nearly identical microstructures to remedy the aforementioned experimental limitations. Having specimens with nearly identical microstructures will allow for multiple destructive tests of a microstructure (either as repeats or intentionally different experiments), an ability to “see the future” by providing insight into how a specimen will deform, variability quantification, and experimental investigations of response to small microstructural changes. Methods: This work introduces microstructure clones. Repeatability of these clones is demonstrated in tensile bars of pure nickel. Local strain measurements from digital image correlation are compared between clone specimens and compared to results from a crystal plasticity finite element model. Results: Two sets of microstructure clones were tested in this study and displayed very consistent deformation responses within each clone set. Small observed differences in deformation invite investigation into microstructure stochasticity and the effect of small microstructural and loading differences. Conclusions: Microstructure clones represent a significant shift in understanding structure–property relationships. This work reshapes experimental crystal plasticity to allow for experiments that control for specific variables, quantification of microstructural stochasticity (and other sources of stochasticity), and opportunities for replicating experiments.

Crystal Plasticity↗

NASA NTRS2013

Design Issues for Using Magnetic Materials in Radiation Environments at Elevated Temperature

One of the challenges of designing motors and alternators for use in nuclear powered space missions is accounting for the effects of radiation. Terrestrial reactor power plants use distance and shielding to minimize radiation damage but space missions must economize volume and mass. Past studies have shown that sufficiently high radiation levels can affect the magnetic response of hard and soft magnetic materials. Theoretical models explaining the radiation-induced degradation have been proposed but not verified. This paper reviews the literature and explains the cumulative effects of temperature, magnetic-load, and radiation-level on the magnetic properties of component materials. Magnetic property degradation is very specific to alloy choice and processing history, since magnetic properties are very much entwined with specific chemistry and microstructural features. However, there is basic theoretical as well as supportive experimental evidence that the negative impact to magnetic properties will be minimal if the bulk temperature of the material is less than fifty percent of the Curie temperature, the radiation flux is low, and the demagnetization field is small. Keywords: Magnets, Permanent Magnets, Power Converters, Nuclear Electric Power Generation, Radiation Tolerance.

Bowman, Cheryl L.↗

DOE OSTI2022

Adversarial Ensemble Modeling of Multi-modal Mechanical Properties for Iron-Based Alloys

Mechanical properties of alloys are controlled by their microstructure; and microstructure evolution is controlled by internal and external stressors. Chemical complexity during the alloy processing may result in heterogeneity and observation of multimodal performance patterns. Thus, to ensure the desired performance of stressed components it is important to understand the origin and mechanisms of such behavior. Adversarial ensemble modeling was introduced here to explain multimodal mechanical properties of the iron-based alloys. The modeling results showed that the areas of a single mechanism predominance were contiguous across the alloy compositions clustered by similarity, with sharp and persistent boundaries separating the single-mechanism domains. The marginal compositions resulted in increased competition between the adversarial models but only led to the multimodal behavior when the competing models diverged. Transparency of the clustering method allowed explicit interpretation of the chemistries leading to such competition. The adversarial ensemble was interpreted through transition from ductile to brittle microstructure.

36 MATERIALS SCIENCE↗

DOE OSTI2023

3D Printed eutectic aluminum alloy has facility for site-specific properties

Additive manufacturing (AM) has the ability to print structures with site-specific properties. Existing AM approaches for site-specific properties are, however, based on complex processing-microstructure relationships in conventional alloys that were not designed for this purpose. Here, in this work, we report a straightforward approach for achieving site-specific properties that takes advantage of eutectic solidification characteristics. We demonstrate that the yield strength of a eutectic Al-Cu-Ce-Zr alloy can be tuned by varying the laser scan speed in concert with hatch spacing in laser powder bed fusion AM. A faster speed increases solidification rate resulting in finer eutectic spacing and higher strength. The hatch spacing is reduced at faster speeds to ensure overlap between melt pools which become smaller with increasing scan speed. The yield strength and its anisotropy relative to build direction are further tunable with a heat treatment. The scan speed-eutectic spacing-strength relationship is successfully applied to print a complex pattern of site-specific hardness in the alloy. The generalized principle of using AM for a eutectic alloy to create site-specific properties and anisotropy in properties is demonstrated.

36 MATERIALS SCIENCE↗

DOE OSTI2022

High Performance Computing to Quantify the Evolution of Microscopic Concentration Gradients During Flash Processing

During the Flash process, the cross section of a plain-carbon or a low-alloy steel is austenitized through rapid heating and transformed on rapid cooling to a predominantly martensite + bainite structure with small amounts of retained austenite. Unlike conventional heat treating, homogeneity is intentionally avoided during Flash processing of steels. The Flash process assembly consists of a pair of rolls that transfer the steel sheets through the heating and cooling stage of the thermal cycle. The initial microstructure of the steel consists of ferrite (body-centered cubic iron) + carbide ((Fe,X)mCn) mixture. The heating rate through the peak temperature is a function of temperature and reaches a peak of about 300-400°C/s and the cooling rate has a maximum value of 3,000-4,000°C/s. The on-heating phase transformations include carbide dissolution, austenite (face-centered cubic iron) nucleation and growth, and diffusion of carbon and other substitutional elements in the steel. The on-cooling phase transformations include formation of martensite (body-centered tetragonal phase containing supersaturated solute) and bainite (ferrite plates with or without fine carbides). In this project, the focus is on Fe-C-Cr steels that are currently Flash processed for armor applications. The modeling effort proposed here will help optimize the Flash thermal cycle for these low alloy steels to achieve the target performance, which is an ongoing effort at SFP Works. A significant feature of Flash processed Fe-C-Cr steels is the presence of scatter in the through-thickness in the sheet. The variability in hardness results from a variability in the bainite + martensite microstructure that is sensitive to the local chemical concentration of C and Cr. Such a chemical inhomogeneity is intentionally obtained in the Flash process. Although such a microstructural gradient is presumably responsible for the exceptional properties of the Flash processed steel, it is very important to quantify the gradients as a function of Flash variabilities in processing parameters and the input microstructure. Understanding the mechanistic pathway that leads to microstructural gradients could be ground-breaking and instrumental for achieving better process control and optimized microstructural state to meet application-specific strength-ductility requirements. Since the final microstructure depends on setting up precise solute concentration gradients through a rapid heating process, and transforming these regions into various phases, it is important to understand how small changes in steel chemistry, input microstructure (carbide size and distribution), and process variables (Flash thermal cycle) will impact the solute concentration gradients.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

3D Characterization of the Columnar-to-Equiaxed Transition in Additively Manufactured Inconel 718

Additive manufacturing (AM) provides enormous processing flexibility, enabling novel part geometries and optimized designs. Access to a local heat source further permits the potential for local microstructure control on the scale of individual melt pools, which can enable local control of part properties. In order to design tailored processing strategies for target microstructures, models predicting the columnar-to-equiaxed transition must be extended to the high solidification velocities and complex thermal histories present in AM. Here, we combine 3D characterization with advanced modeling techniques to develop a more complete understanding of the solidification process and evolution of microstructure during electron beam melting (EBM) of Inconel 718. Full calibration of existing microstructure prediction models demonstrates the differences between AM processes and more conventional welding techniques, underlying the need for accurate determination of key parameters that can only be measured directly in 3D. The ability to combine multisensor data in a consistent 3D framework via data fusion algorithms is essential to fully leverage these advanced characterization approaches. Thermal modeling provides insight on microstructure development within isolated solidification events and demonstrates the role of Marangoni effects on controlling solidification behavior.

Polonsky, Andrew↗

NASA NTRS2015

Improved Rhenium Thrust Chambers

Radiation-cooled bipropellant thrust chambers are being considered for ascent/ descent engines and reaction control systems on various NASA missions and spacecraft, such as the Mars Sample Return and Orion Multi-Purpose Crew Vehicle (MPCV). Currently, iridium (Ir)-lined rhenium (Re) combustion chambers are the state of the art for in-space engines. NASA's Advanced Materials Bipropellant Rocket (AMBR) engine, a 150-lbf Ir-Re chamber produced by Plasma Processes and Aerojet Rocketdyne, recently set a hydrazine specific impulse record of 333.5 seconds. To withstand the high loads during terrestrial launch, Re chambers with improved mechanical properties are needed. Recent electrochemical forming (EL-Form"TM") results have shown considerable promise for improving Re's mechanical properties by producing a multilayered deposit composed of a tailored microstructure (i.e., Engineered Re). The Engineered Re processing techniques were optimized, and detailed characterization and mechanical properties tests were performed. The most promising techniques were selected and used to produce an Engineered Re AMBR-sized combustion chamber for testing at Aerojet Rocketdyne.

O'Dell, John Scott↗

NASA NTRS2001

Development and Evaluation of Directionally-Solidified NiAl/(CR,MO)-Based Eutectic Alloys for Airfoil Applications

The results of recent efforts to develop directionally-solidified alloys based on the Ni-33Al-31Cr-3Mo eutectic composition are discussed. These developmental efforts included studying the effects of macroalloying and growth rates on microstructure formation as well as the elevated temperature compressive and tensile properties of these alloys. These observations revealed that contrary to conventional opinion, the cellular microstructure was stronger and tougher than the planar eutectic microstructure due to a microstructural refinement of the cell size and interlamellar spacing. The high temperature strengths of these alloys are compared with those of commercial superalloys and advanced NiAl single crystals. The implications of this research on airfoil manufacturing and applications are discussed.

Raj, S. V.↗

NASA NTRS2016

Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.

Materials Science↗

DOE OSTI2026

Inverse design of hypoeutectoid pearlite steel microstructures using a deep learning and genetic algorithm optimization framework

Goal-oriented microstructure design in metallic materials is a challenging task due to complex structure-property relationships. Traditional experimental and computational approaches are time-intensive and economically inefficient, limiting their applicability for large-scale design space exploration. Here, in this work, we propose an end-to-end framework that integrates deep learning models with genetic optimization to design microstructures with targeted mechanical properties. Deep learning models enable accurate forward design, while their integration with genetic optimization enables efficient inverse design within a few hours, compared to days or weeks using conventional finite element simulations. The framework combines experimental characterization and finite element modeling to analyze the influence of microstructural features on the mechanical behavior of hypoeutectoid steels. Data from both experiments and simulations are used to train the deep learning models. To demonstrate its effectiveness, we apply the framework to 0.63% carbon steel with proeutectoid ferrite and pearlite phases, commonly used in industrial applications. In this study, 2D microstructures were used for modeling, selected primarily for computational efficiency and to establish proof of concept. The framework successfully optimizes microstructures for targeted yield strength, ultimate strength, and stress concentration factors while significantly reducing computational time. Beyond hypoeutectoid steels, this scalable framework can be extended to other material systems and integrated with additive manufacturing, offering an efficient approach for accelerating microstructure design for specific engineering applications.

ConvLSTM↗