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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Processing and mechanical properties - 2016-0032

Hot extrusion is used within the forming route of cladding tubes to deform the billets into tube hollows, which are then cold-rolled to produce the final tubes with the suitable properties for in-reactor use. The hot extrusion goals are to give the appropriate geometry for cold pilgering (diameter and wall thickness suitable for cold-rolling mills, good concentricity) without surface defects and microstructural heterogeneities, which are detrimental for subsequent rolling. To ensure a good quality of the tube hollows, extrusion parameters (e.g., temperature of the billet, ram speed, extrusion ratio, lubrication) and extrusion tools have to be chosen as a function of the press capacity and mechanical and microstructural properties of the extruded alloy. For this purpose, finite-element and analytical models are used in addition to experimental tests. These models, particularly the former, can take into account the thermomechanical coupling that occurs in the tube and the tools during extrusion and provides a good prediction of the extrusion pressure and thermomechanical history of the extruded product. Together with a microstructural evolution model identified with small-scale extrusion tests, torsion tests, and heat treatments, this last result can also be used to calculate the fragmentation of the microstructure in the die and the meta-dynamic recrystallization after extrusion. Once validated against experimental data, numerical models were used to better understand and master the extrusion loads, the microstructure evolutions at the front end of the extruded tubes, and the temperature and stresses applied to the tools. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2018

Cellular Automaton Modeling of Dynamic Recrystallization of Nimonic 80A Superalloy Based on Inhomogeneous Distribution of Dislocations Inside Grains

A modified cellular automaton (CA) model in the time and space scale is developed to simulate the dynamic recrystallization (DRX) mechanism of Nimonic 80A nickel-base superalloy during hot deformation. Some necessary thermo-mechanical parameters used as input data in CA approach such as work hardening and softening coefficient are fitted according to the previous hot compression experiments. Based on the experimental results, nucleation kinetics is modified as a function of Zener-Holloman parameter. A dislocation density model at transient recrystallization boundary is proposed, in which the dislocation density is a function of temperature, strain rate and annealed dislocation density. The simulated results are in good agreement with experimental results, proving that the modified CA model is capable of predicting both flow behavior and microstructural evolution of Nimonic 80A during hot deformation. According to the experimental and simulated results, the DRX behavior is discussed in detail. It demonstrates that the flow stress and microstructural evolution of DRX have a relationship with the deformation temperature and strain rate.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Understanding the reaction of nuclear graphite with molecular oxygen: Kinetics, transport, and structural evolution

A thorough understanding of oxidation is important when considering the health and integrity of graphite components in graphite reactors. For the next generation of graphite reactors, HTGRs specifically, an unlikely air ingress has been deemed significant enough to have made its way into the licensing applications of many international licensing bodies. While a substantial body of literature exists on nuclear graphite oxidation in the presence of molecular oxygen and significant efforts have been made to characterize oxidation kinetics of various grades, the value of existing information is somewhat limited. Often, multiple competing processes, including reaction kinetics, mass transfer, and microstructural evolution, are lumped together into a single rate expression that limits the ability to translate this information to different conditions. This article reviews the reaction of graphite with molecular oxygen in terms of the reaction kinetics, gas transport, and microstructural evolution of graphite. It also presents the foundations of a model for the graphite-molecular oxygen reaction system that is kinetically independent of graphite grade, and is capable of describing both the bulk and local oxidation rates under a wide range of conditions applicable to air-ingress.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Extreme shear-deformation-induced modification of defect structures and hierarchical microstructure in an Al–Si alloy

Abstract Extreme shear deformation is used for several material processing methods and is unavoidable in many engineering applications in which two surfaces are in relative motion against each other while in physical contact. The mechanistic understanding of the microstructural evolution of multi-phase metallic alloys under extreme shear deformation is still in its infancy. Here, we highlight the influence of shear deformation on the microstructural hierarchy and mechanical properties of a binary as-cast Al-4 at.% Si alloy. Shear-deformation-induced grain refinement, multiscale fragmentation of the eutectic Si-lamellae, and metastable solute saturated phases with distinctive defect structures led to a two-fold increase in the flow stresses determined by micropillar compression testing. These results highlight that shear deformation can achieve non-equilibrium microstructures with enhanced mechanical properties in Al–Si alloys. The experimental and computational insights obtained here are especially crucial for developing predictive models for microstructural evolution of metals under extreme shear deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

In-situ X-ray tomographic monitoring of gypsum plaster setting

The first in-situ monitoring of plaster hydration using X-ray tomography is reported in this paper. Dissolution of hemihydrate particles and formation of a network of gypsum needles can be observed in 3D. A 3D quantitative analysis based on the microstructure evolution allows the determination of the degree of reaction. In particular, the size of hemihydrate particles is shown to have an influence both on the hydration kinetics and on the final microstructure of the set plaster. This work paves the way to the understanding of the relationship between microstructure evolution, chemical degree of reaction and mechanical strength development for material processed through a setting reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Simulated Fission Gas Behavior in Silicide Fuel at LWR Conditions

As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U 3 Si 2 ) at LWR conditions needs to be well-understood. However, existing experimental post-irradiation examination (PIE) data are limited to the research reactor conditions, which involve lower fuel temperature compared to LWR conditions. This lack of appropriate experimental data significantly affects the development of fuel performance codes that can precisely predict the microstructure evolution and property degradation at LWR conditions, and therefore evaluate the qualification of U 3 Si 2 as an AFT for LWRs. Considering the high cost, long timescale, and restrictive access of the in-pile irradiation experiments, this study aims to utilize ion irradiation to simulate the inpile behavior of the U 3 Si 2 fuel. Both in situ TEM ion irradiation and ex situ high-energy ATLAS ion irradiation experiments were employed to simulate different types of microstructure modifications in U 3 Si 2 . Multiple PIE techniques were used or will be used to quantitatively analyze the microstructure evolution induced by ion irradiation so as to provide valuable reference for the development of fuel performance code prior to the availability of the in-pile irradiation data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Irradiation effects in high entropy alloys and 316H stainless steel at 300 °C

High entropy alloys (HEAs) have been considered for applications in nuclear reactors due to their promising mechanical properties, corrosion and radiation resistance. It has been suggested that sluggish diffusion kinetics and lattice distortion of HEAs can enhance the annihilation of irradiation-induced defects, giving rise to a higher degree of tolerance to irradiation damage. In order to understand the irradiation effects in HEAs and to demonstrate their potential advantages over conventional austenitic stainless steels (SS), we performed in-situ ion irradiation experiments with 1 MeV krypton at 300 °C on two HEAs and a 316H SS under an identical irradiation condition. The irradiation introduced a high density of dislocation loops in all materials, and the microstructural evolution as a function of dose was similar for HEAs and 316H SS. Nanoindentation tests showed that the degree of irradiation hardening was also comparable between them. Furthermore, the similar microstructural evolution and irradiation hardening behavior between the HEAs and 316H indicate that, at low temperatures (≤300 °C), the irradiation damage of fcc alloys is not sensitive to compositional variation and configurational entropy.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effects of dose rate on the microstructure and deuterium retention in γ-LiAlO 2 pellets

This report presents experimental findings obtained from November 2024 to September 2025. Defect accumulation and microstructural evolution during ion irradiation at elevated temperatures are governed by two competing processes: defect production, driven by dose rate, and defect recovery, controlled by defect diffusion, interaction, and annihilation. At a given dose, the resulting microstructural evolution depends on both the dose rate and irradiation temperature. As a continuation of our FY24 tritium science project, which investigated temperature effects at a fixed dose rate, this study focuses on dose-rate effects at a fixed temperature to provide deeper insights into the irradiated microstructure and compositional changes in γ-LiAlO 2 pellets. The study aims to elucidate the impact of dose rate on microstructure, precipitate morphology, deuterium retention, and lithium volatility in γ-LiAlO 2 pellets under sequential 120 keV He + and 80 keV D 2 + ion irradiation. Three dose rates of 7.3×10 4 , 2.9×10 4 and 6.8×10 5 dpa/s were applied to achieve the same total ion fluence of 2×10 17 (He + +D + )/cm 2 at 500 °C, corresponding to a maximum combined dose of 7.55 dpa at ~255 nm. The irradiated pellets were subsequently characterized using scanning transmission electron microscopy (STEM) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). The microstructural response of γ-LiAlO 2 to ion irradiation was found to be strongly dose-rate dependent. At medium and high dose rates, irradiation produced a surface amorphized layer and an underlying crystalline layer containing LiAl 5 O 8 precipitates, with implanted gases accumulating and forming blisters at the crystalline-amorphous interface. It remains to be investigated whether the amorphized layer was produced by He + ion irradiation prior to D 2 + ion irradiation. In contrast, at low dose rates, the material remained crystalline, with cavities, likely gas-filled, distributed around precipitates, within the γ-LiAlO 2 matrix, and along grain boundaries. While precipitate morphology exhibited anisotropy, their size showed little sensitivity to dose rate in the applied range of this study. This result, however, does not rule out the possibility that further reductions in dose rate could influence precipitate size. High dose-rate irradiation enhanced protonium–deuterium isotopic exchange and lithium depletion in the amorphized region. Collectively, the results show that dose rate governs amorphization, gas redistribution, isotopic exchange, and lithium depletion, providing important insights into the mechanisms underlying structural evolution in γ-LiAlO 2 pellets under reactor-relevant irradiation conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Surrogate Model Integration with MOOSE XFEM for Creep Crack Growth

Ferritic-martensitic steels are key structural materials for advanced reactors but experience time-dependent deformation and damage under prolonged high temperature and irradiation, leading to creep-driven crack initiation and growth. High-fidelity models—crystal plasticity with irradiation mechanisms, phase-field for microstructural evolution, and continuum-damage viscoplasticity—capture the underlying physics but are too computationally intensive for broad design-space exploration and uncertainty quantification. This milestone advances a scalable alternative by integrating a microstructure-sensitive surrogate creep model into the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework and extending it to fracture via the extended finite element method (XFEM). The surrogate model, developed with collaborators at Sandia and Los Alamos National Laboratories, maps relevant microstructural descriptors to the viscoplastic response of HT9. We embed this surrogate within a coupled deformation-damage workflow in MOOSE/XFEM to simulate creep-driven crack initiation and propagation. Implementation enhancements include updates to the material interface, a plastic correction phase involving microstructure evolution, and fracture criteria to ensure numerical robustness and compatibility with the surrogate structure. Demonstrations on canonical creep benchmarks spanning uniaxial and multiaxial states show that the surrogate reproduces key trends of high-fidelity models while substantially reducing computational cost. The resulting capability bridges physics fidelity and performance, providing a practical path to a predictive, microstructure-aware assessment of creep and fracture in reactor materials.

36 - MATERIALS SCIENCE↗
DOE OSTI2021

Understanding the plasticity contributions during laser-shock loading and spall failure of Cu microstructures at the atomic scales

A hybrid atomic-scale and continuum modeling framework is used to study the microstructural evolution during the laser-induced shock deformation and failure (spallation) of copper microstructures. A continuum two-temperature model (TTM) is used to account for the interaction of Cu atoms with a laser in molecular dynamics (MD) simulations. The MD-TTM simulations study the effect of laser loading conditions (laser fluence) on the microstructure (defects) evolution during various stages of shock wave propagation, reflection, and interaction in single-crystal (sc) Cu systems. In addition, the role of the microstructure is investigated by comparing the defect evolution and spall response of sc-Cu and nanocrystalline (nc) Cu systems. The defect (stacking faults and twin faults) evolution behavior in the metal at various times is further characterized using virtual in situ selected area electron diffraction and x-ray diffraction during various stages of evolution of microstructure. Here, the simulations elucidate the uncertain relation between spall strength and strain-rate and the much stronger relation between the spall strength and the temperatures generated due to laser shock loading for the small Cu sample dimensions considered here.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structural Distortion Induced by Manganese Activation in a Lithium-Rich Layered Cathode

The search for batteries with high energy density has highlighted lithium-rich manganese-based layered oxides due to their exceptionally high capacity. Although it is clear that both cationic and anionic redox are present in the charge compensation mechanism, the microstructural evolution of the Li 2 MnO 3 -like phase during anionic redox and its role in battery performance and structural stability are still not fully understood. Here, we systematically probe microstructural evolution using spatially resolved synchrotron X-ray measurements and reveal an underlying interaction between the Li 2 MnO 3 -like domains and bulk rhombohedral structure. Mn ion activation and a previously unobserved structural distortion are discovered at high voltages, and can be related to structural strain present in the Li 2 MnO 3 -like phase upon substantial lithium ion extraction. Moreover, we elucidate a correlation between this structural distortion and irreversible phase transitions by thermally perturbing delithiated samples. These insights highlight a pathway toward achieving high capacity cathode materials required for future commercial applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Hot deformation behaviors and processing maps of B{sub 4}C/Al6061 neutron absorber composites

In this study, the hot deformation behaviors of 30 wt.% B{sub 4}C/Al6061 neutron absorber composites (NACs) have been investigated by conducting isothermal compression tests at temperatures ranging from 653 K to 803 K and strain rates from 0.01 to 10 s{sup −1}. It was found that, during hot compression, the B{sub 4}C/Al6061 NACs exhibited a steady flow characteristic which can be expressed by the Zener-Hollomon parameter as a hyperbolic-sine function of flow stress. High average activation energy (185.62 kJ/mol) of B{sub 4}C/Al6061 NACs is noted in current study owing to the high content of B{sub 4}C particle. The optimum hot working conditions for B{sub 4}C/Al6061 NACs are found to be 760–803 K/0.01–0.05 s{sup −1} based on processing map and microstructure evolution. Typical material instabilities are thought to be attributed to void formation, adiabatic shear bands (ASB), particle debonding, and matrix cracking. Finally, the effect of the plastic deformation zones (PDZs) on the microstructure evolution in this 30 wt.% B{sub 4}C/Al6061 composite is found to be very important. - Highlights: •The hot deformation behavior of the 30 wt.% B{sub 4}C/Al6061 NACs was first analyzed. •The 3D efficiency map and the instability map are developed. •The optimum hot working conditions were identified and validated by SEM and TEM. •The hot deformation schematic diagram of 30 wt.% B{sub 4}C/Al6061 NACs is developed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Review on Friction Stir Processing of Titanium Alloy: Characterization, Method, Microstructure, Properties

In the past two decades, friction stir processing (FSP) technology has received considerable attention. FSP can be used to adjust and control the microstructure of materials, including eliminating defects, destroying dendrites and controlling fractions in the second stage, and is therefore widely used in titanium and its alloys for biomedical, aerospace and automotive applications. This article comprehensively reviews the methods of studying FSP, the microstructure evolution of materials and the summary of material properties. It begins with the introduction of the FSW system, characterization, structure and elemental analysis, and simulation and performance testing methods, and then introduces the microstructure evolution mechanism of various titanium materials and discusses in detail the material properties of titanium alloy, namely hardness and wear resistance, elasticity and plasticity, corrosion resistance and biocompatibility. Finally, this review presents unresolved issues and outstanding challenges in FSP technology and reveals the direction of this emerging field of research.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Microstructure, Thermal, and Mechanical Properties Relationships in U and UZr Alloys (Final Report)

Uranium-zirconium (U-Zr) alloys are candidate fuel systems for transmutation based reactors that can be used to burn long-lived minor actinides and fission products in fast spectrum reactors. Metallic fuels have also been gaining more recent attention for applications as accident tolerant fuels, as well as for use in small modular reactors. This research focused on a “science-based” approach to capture the connections between U and U-Zr alloys’ three-dimensional (3-D) microstructure, thermal properties, and mechanical properties through closely coordinated experiments and modeling efforts from the unirradiated to the irradiated fuels. Advanced characterization and modeling techniques were used to understand irradiation-induced microstructural evolution and its direct impact on the thermal and mechanical properties of U and U-Zr fuel. Closely coordinated experiments and modeling were performed to provide crucial data that does not currently exist. Overall, this research spanned multiple length and time scales within the models and experiments. The scope of the research encompassed the understanding of the irradiation effects in U and various U-Zr alloys with particular attention paid to three task areas: (1) microstructural evolution, (2) in-situ/ex-situ thermal and mechanical properties, and (3) multiscale modeling connections to microstructure, thermal, and mechanical properties. This research resulted in (1) the 3-D characterization of neutron irradiated U-Zr fuel in multiple phase regions to better understand fission gas swelling and constituent redistribution, (2) development of a microstructural model linking thermal and mechanical properties via in situ Raman and nanoindentation, (3) and mesoscale phase field modeling was coupled with the AEH method in the MOOSE framework was used to calculate the effective thermal conductivities of U-Zr fuels consisting of α-U and δ-UZr 2 heterogeneous microstructures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry

The study of materials interfaces dates back over a century. In solid systems and from an engineering perspective, free surfaces and internal (grain and/or phase) boundaries influence a wide range of properties, such as thermal, electrical and optical transport, and mechanical ones. The properties and the role of interfaces has been discussed extensively in various reviews such as by Sutton and Balluffi. As the characteristic feature size of a materials system (i.e., grain size) is decreased to the nanometer scale, interface-driven physics is expected to dominate due to the increased density of such planar defects. Moreover, interfacial attributes, thermodynamics, and mobility play a key role in phase transformations, such as solidification dynamics and structural transitions in solids, and in homogenization and microstructural evolution processes, such as grain growth, coarsening, and recrystallization. In summary, the set of articles published in this special topic titled: “Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry” covers topics related to microstructure evolution, segregation/adsorption phenomena and interface interactions with other materials defects.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Probing rutile solid-phase crystallization of atomically mixed Mn-alloyed TiO 2 coatings through XANES analysis

Phase transformation via dopant introduction is an emerging strategy for tuning the electronic and catalytic properties of oxides. However, developing a general theory of ternary alloys and their microstructure evolution remains challenging due to the knowledge gaps in how point defects such as dopants lead to the formation of complex or metastable phases. We investigate the influence of Mn concentration and annealing temperature on the microstructure evolution of amorphous Mn-alloyed TiO 2 synthesized via Atomic Layer Deposition. In conclusion, our findings reveal a new crystallization pathway resulting in a direct amorphous TiO 2 to rutile transformation without an intermediate anatase phase and our multi-parameter thermal processing conditions show potential for AI-assisted data acquisition and analysis for studying complex oxide coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of niobium interlayer in dissimilar friction stir welding of aluminum to titanium

Highlights: • In the present study, FSW of Al to Ti with Nb interlayer has been characterized. • Fragmentation and distribution of Nb and Ti have been correlated with properties. • Ternary mixing and chemical reaction reduced the brittleness of the joint. • Al in the weld nugget showed a gradient in microstructural features. • The weld with Nb interlayer exhibited higher ductility. - Abstract: The most important issue associated with dissimilar welding is the formation of detrimental intermetallics and consequent reduction in mechanical properties of the weld. It was expected that addition of an interlayer would modify the pattern of the intermetallic formation. The present investigation deals with Friction Stir Welding of aluminum (Al) to titanium (Ti) in presence of niobium (Nb) interlayer. X-ray Computed Tomography results highlighted that fine particles of both Ti and Nb are homogeneously distributed. Large Ti particles are substantially fragmented whereas large Nb particles remain as flakes. Microstructural features of the nugget zone indicated a complex mixing of materials. Jointing had been perceived through elemental diffusion at the interfaces of Al/Ti and Ti/Nb. However, Nb restricted the reaction between Al and Ti, and acted as an efficient interlayer to retard the formation of brittle Al{sub 3}Ti intermetallic phase. Mechanisms of microstructural evolution in Al side of the weld have been identified as Dynamic Recovery, Dynamic Recrystallization and particle stimulated nucleation. Significant improvement in the tensile ductility had been observed due to the presence of finer particles. The presence of Nb in the weld nugget influences the microstructural evolution and tensile properties of the weld by reducing the formation of intermetallics.

36 MATERIALS SCIENCE↗