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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Development of mechanistic, microstructure-informed BISON models for fission product-induced failure mechanisms in advanced nuclear fuels

The US continues to prioritize commercial deployment of advanced reactors—particularly those utilizing U-Zr metallic and TRISO particle fuels. Fission product-induced failure mechanisms for these systems include fuel–cladding chemical interaction in metallic fuel rods, which threatens cladding integrity, and Pd penetration in TRISO particles, which degrades SiC layer properties. Empirical models can be applied within the bounds of existing irradiation databases, but their utility is limited when considering new designs or investigating fundamental material behaviors. The Nuclear Energy Advanced Modeling and Simulation Program is therefore developing mechanistic models for these behaviors, which are expected to aid in fuel design, assist in development of failure mitigation strategies, and provide support for qualification and licensing. These efforts leverage multiscale capabilities to capture the microstructural features and processes that govern these behaviors. This talk summarizes past and ongoing efforts to develop and validate these models for the BISON fuel performance code.

FCCI↗
DOE OSTI2024

A Finite Difference informed Random Walk solver for simulating radiation defect evolution in polycrystalline structures with strongly inhomogeneous diffusivity

Diffusivity of species and defects on grain boundaries is usually several orders of magnitude larger than that inside grains. Such strongly inhomogeneous diffusivity requires prohibitively high computational demands for modeling microstructural evolution. Here, this paper presents a highly-efficient numerical solver, combining the Finite Difference method and Random Walk model, designed for accurately modeling strongly inhomogeneous diffusion within polycrystalline structures. The proposed solver, termed Finite Difference informed Random Walk (FDiRW), integrates a customized Finite Difference (cFD) scheme tailored for fast diffusion along thin grain boundaries represented by a single-layer of nodes. Numerical experiments demonstrate that the FDiRW solver achieves an impressive efficiency gain of 1560x compared to traditional Finite Difference methods while maintaining accuracy, making it feasible for personal computer machines to handle diffusional systems with strongly inhomogeneous diffusivity across static polycrystalline microstructures. The model has been successfully applied to simulate radiation defect evolution, showcasing its scalability to engineering scales in both length and time dimensions.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Large area InN terahertz emitters based on the lateral photo-Dember effect

Large area terahertz emitters based on the lateral photo-Dember effect in InN (indium nitride) are presented. The formation of lateral photo-Dember currents is induced by laser-illumination through a microstructured metal cover processed onto the InN substrate, causing an asymmetry in the lateral photogenerated charge carrier distribution. Our design uses simple metal structures, which are produced by conventional two-dimensional micro-structuring techniques. Having favoring properties as a photo-Dember material InN is particularly well-suited as a substrate for our emitters. We demonstrate that the emission intensity of the emitters can be significantly influenced by the structure of the metal cover leaving room for improvement by optimizing the masking structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

In situ irradiation of spent nuclear fuels

To improve the economics of commercial nuclear reactors, nuclear vendors and utilities are seeking approval for increased burnup usage of the existing nuclear fleet. This is especially critical for meeting the clean energy initiative by the United States Government, Department of Energy (DOE). However, one of the key challenges the nuclear industry faces in this regard is that the regions exposed to high burnup and low temperatures exhibit a fine-grained microstructure with large bubbles known as high-burnup structure (HBS) [1]. The formation of HBS has been correlated to the diminished performance of the reactor, as well as fuel fragmentation and pulverization during transient and accidental conditions [2]. Therefore, it is paramount to understand the mechanisms for HBS formation along with its impact on the properties and performance of nuclear fuels. While existing programs, such as Nuclear Energy Advanced Modeling and Simulation (NEAMS) and Advanced Fuel Campaign (AFC) are focusing on evaluating the performance impact of HBS, the physical mechanisms contributing to HBS formation are still not fully understood. In addition, having predictive capabilities and sound understanding of the microstructural evolution of nuclear fuel is essential for accelerated development, qualification, and deployment of new nuclear materials and novel reactor designs for advanced nuclear reactors. There is a lack of consensus among researchers regarding the mechanisms leading to such restructuring observed in HBS. Grain subdivision due to polygonization versus recrystallization, continuous versus discrete recrystallization occurring in tandem or conjunction, etc., have been proposed and debated. In general, it is hypothesized that defect accumulation and dislocation interaction within the grains cause the realignment of dislocations into grain boundaries, leading to the new subgrain formation, which over time transforms into new grains. However, due to the lack of transient data, the importance of fission rate, irradiation, thermal, and stress history of the fuel on the restructuring could not be assessed. In situ microstructural evolution under various irradiation conditions is desired to bridge this gap. Alternatively, phase-field-based models have been developed to capture HBS formation via discrete recrystallization utilizing the classical nucleation approach [3–5]. However, in these models, the grain nucleation criteria are often defined based on empirical relations for burnup and fission gas density leading to dislocation density change. A mechanistic approach to capture the dislocation interaction with the microstructural features leading to grain subdivision is lacking.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Evaluation of MSNDs for Fast-Neutron Detection and the TREAT Hodoscope

The need for next-generation, accident-tolerant fuels has generated significant interest in the restart of domestic fuels testing at the Transient Reactor Test (TREAT) facility. A key feature of the TREAT reactor core is an open, horizontal channel that allows line-of-sight viewing of test specimens using various instrumentation during steady-state and transient operation. This instrumentation includes the hodoscope, which consists of over 300 steel-collimated channels coupled to Hornyak buttons (and other detectors) for detection of fast neutrons emitted from fission of the test specimen. Posterior analysis can be used to reconstruct fuel motion and other properties from the collimated channel signals. A large-scale effort is underway to develop next generation instrumentation for transient testing at TREAT (and, potentially, other facilities). Work at KSU specifically aims to provide improved detection systems for hodoscope applications. It was initially proposed to adapt KSU-developed Microstructured Semiconductor Neutron Detectors (MSNDs) for use as fast-neutron detectors. The current generation of MSNDs is designed for thermal-neutron detection based on {sup 6}Li and can achieve intrinsic efficiencies nearing 30% owing to the large (n, t) cross section of {sup 6}Li and clever optimization of the geometry. In order to evaluate MSNDs for fast-neutron detection, two approaches were considered: (1) use of a hydrogenous material to thermalize neutrons to exploit the intrinsic efficiencies of current MSNDs, and (2) substitution of a fast-sensitive reactant for {sup 6}Li. The former approach is attractive because it makes use of proven, off-the-shelf technology and leads to reasonable time resolution and efficiency. Unfortunately, use of thermalization leads to prohibitive degradation of spatial resolution. The second approach will require further experimental efforts, but scoping analyses suggest {sup 235}U- or {sup 237}Th-loaded MSNDs may achieve sufficient efficiencies. The rest of this summary examines these issues in more detail. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2011

Plasma Spray-Physical Vapor Deposition (PS-PVD) of Ceramics for Protective Coatings

In order to generate advanced multilayer thermal and environmental protection systems, a new deposition process is needed to bridge the gap between conventional plasma spray, which produces relatively thick coatings on the order of 125-250 microns, and conventional vapor phase processes such as electron beam physical vapor deposition (EB-PVD) which are limited by relatively slow deposition rates, high investment costs, and coating material vapor pressure requirements. The use of Plasma Spray - Physical Vapor Deposition (PS-PVD) processing fills this gap and allows thin (< 10 microns) single layers to be deposited and multilayer coatings of less than 100 microns to be generated with the flexibility to tailor microstructures by changing processing conditions. Coatings of yttria-stabilized zirconia (YSZ) were applied to NiCrAlY bond coated superalloy substrates using the PS-PVD coater at NASA Glenn Research Center. A design-of-experiments was used to examine the effects of process variables (Ar/He plasma gas ratio, the total plasma gas flow, and the torch current) on chamber pressure and torch power. Coating thickness, phase and microstructure were evaluated for each set of deposition conditions. Low chamber pressures and high power were shown to increase coating thickness and create columnar-like structures. Likewise, high chamber pressures and low power had lower growth rates, but resulted in flatter, more homogeneous layers

Harder, Bryan J.↗
DOE OSTI2018

Influence of Process-Induced Anisotropy and Synovial Environment on Wear of EBM Built Ti6Al4V Joint Implants

Additive manufacturing (AM) technology is identified as an ideal solution to overcome challenges in design and manufacturing of complex components. However, the layered fashion of AM process result in directionally solidified microstructures on the system. The anisotropic surface texture will affect wear and corrosion resistance. The current study investigates tribological responses of AM-made Ti6Al4V for joint implant applications during the combined effect from synovial lubrication and process-induced surface structure on surface fatigue damage response. Electron beam melting was used to produce Ti6Al4V specimens and mechanical characterizations were performed using nanoindentation and micro bending tests to determine their mechanical properties. A series of pin-on-disk wear tests were performed to quantify sliding contact fatigue damage in three simulated synovial fluids with variable concentrations of bovine serum albumin and hyaluronic acid in the PBS solution. Physical properties of simulated synovial fluids were measured using a nanoindenter-based technique and correlated to fatigue wear response. The lower wear rate is found in greater protein concentrations. The results presented AM build direction significantly affects sliding fatigue wear resistance on TI6Al4V surface in all synovial environments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Development of cast alumina-forming austenitic stainless steels

Cast Fe-Ni-Cr chromia-forming austenitic stainless steels with Ni levels up to 45 wt. % are used at high temperatures in a wide range of industrial applications that demand microstructural stability, corrosion resistance, and creep strength. Although alumina scales offer better corrosion protection at these temperatures, designing cast austenitic alloys that form a stable alumina scale and achieve creep strength comparable to existing cast chromia-forming alloys is challenging. This work outlines the development of cast Fe-Ni-Cr-Al austenitic stainless steels containing about 25 wt. % Ni with good creep strength and the ability to form a protective alumina scale for use at temperatures up to 800 C - 850 C in H 2 O-, S-, and C- containing environments. Creep properties of the best alloy were comparable to that of HK-type cast chromia-forming alloy along with improved oxidation resistance typical of alumina-forming alloys. Lastly, challenges in the design of cast alloys and a potential path to increasing the temperature capability are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Microstructure Evolution and Mechanical Response of Nanolaminate Composites Irradiated with Helium at Elevated Temperatures

In this paper, we summarize recent work on helium (He) interaction with various heterophase boundaries under high temperature irradiation. We categorize the ion-affected material beneath the He-implanted surface into three regions of depth, based on the He/vacancy ratio. The differing defect structures in these three regions lead to the distinct temperature sensitivity of He-induced microstructure evolution. The effect of He bubbles or voids on material mechanical performance is explored. Finally, overall design guidelines for developing materials where He-induced damage can be mitigated in materials are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Advances and perspectives of hard carbon anode modulated by defect/hetero elemental engineering for sodium ion batteries

Sodium-ion batteries (SIBs) serve as a promising complement to lithium-ion batteries for large-scale energy storage, leveraging the abundance of sodium resources and notable safety advantages. The key advancement in SIB industrialization hinges on identifying a cost-effective and high-performance anode material, similar to the graphite anode in lithium-ion batteries. Hard carbon emerges as prime anode materials for SIBs, boasting high specific capacity, low sodium storage potential, and wide availability. However, practical applications of hard carbon encounters challenges such as low initial Coulombic efficiency (ICE), inadequate long-term cycling stability, and poor rate performance. Recent research has focused on the optimization of hard carbon electrodes through functional design. In this comprehensive review, we have meticulously examined the progress in enhancing sodium storage performance through microstructural modulation within hard carbon, encompassing four pivotal aspects: heteroatom doping, incorporation of oxygen functional groups, surface coating, and intrinsic defect engineering. Progress in implementing these strategies is scrutinized, while the merits and challenges of each defect engineering approach are discussed. In conclusion, this review also looks into forthcoming opportunities and challenges in the practical application process of hard carbon electrodes in SIBs.

25 ENERGY STORAGE↗
DOE OSTI2020

Database development and exploration of process–microstructure relationships using variational autoencoders

The paper demonstrates graphical representation of a large database containing process–microstructure relationships using an unsupervised machine learning algorithm. Correlating microstructural features to processing is an essential first step to answer the difficult problem of process sequence design. Here, a large database of 346,200 orientation distribution functions resulting from a variety of process sequences is constructed, where each sequence comprises up to four stages of tension, compression and rolling along different directions in various permutations. This open-source database is constructed for collaborative development of process design algorithms. The paper demonstrates a novel application of the large database: graphical representation of texture–process relationships. A variational autoencoder is used to reduce the entire database to a two dimensional latent space where variations in processes and properties can be visualized. Using proximity analysis in this latent space, we can quickly unearth multiple process solutions to the problem of texture or property design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Laser melting modes in metal powder bed fusion additive manufacturing

In laser powder bed fusion additive manufacturing of metals, extreme thermal conditions create many highly dynamic physical phenomena such as vaporization and recoil, Marangoni convection, and protrusion and keyhole instability. Collectively however, the full set of phenomena is too complicated for practical applications and, in reality, the melting modes are used as a guideline for printing. With increasing local material temperature beyond the boiling point, the mode can change from conduction to keyhole. These mode designations ignore laser-matter interaction details but in many cases are adequate to determine the approximate microstructures and hence the properties of the build. To date, no consistent, common, and coherent definitions have been agreed upon because of historic limitations in melt pool and vapor depression morphology measurements. Here, we distinguish process-based definitions of different melting modes from those based on postmortem evidence. The latter are mainly derived from the transverse cross-sections of the fusion zone, whereas the former come directly from time-resolved x-ray imaging of melt pool and vapor depression morphologies. These process-based definitions are more strict and physically sound, and they offer new guidelines for laser additive manufacturing practices and create new research directions. Further, we highlight the significance of the keyhole, which substantially enhances the laser energy absorption by the melt pool. Recent studies strongly suggest that stable-keyhole laser melting enables efficient, sustainable, and robust additive manufacturing. The realization of this scenario demands the development of multiphysics models, signal translations from morphology to other feasible signals, and in-process metrology across platforms and scales.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Simultaneous three-dimensional elemental mapping of Hollandite and Pyrochlore material phases in ceramic waste form materials

In this study, differential X-ray absorption contrast tomography was performed on model ceramic composite systems to image the 3D spatial distributions of Ga and Nd containing phases. The model material systems were fabricated such that they contained two constituent phases. Ga–doped Ba hollandite (Ba 1.33 Ga 2.66 Ti 5.34 O 16 ), and pyrochlore (Nd 2 Ti 2 O 7 ) which are under consideration as nuclear waste immobilization matrices. Two complementary techniques have been used to characterize the 3D distribution of phases. The analysis suggests that the 3D spatial distributions of hollandite and pyrochlore can be readily identified through the distributions Ga and Nd, respectively. These results represent a critical development towards characterizing the complex microstructure inherent to practical materials such as multiphase ceramic composite waste forms. Furthermore, these methods can be applied to elucidate microstructural features that fundamentally determine the performance and properties of complex systems, which is central to the design of durable waste forms as well as many other real materials such fuel cells, batteries, ultra-high temperature ceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A crystal plasticity framework for modeling the five-dimensional energy landscape of grain boundaries (Final Technical Report)

In this report, we describe our progress in modeling the co-evolution of grain boundaries and bulk dislocations which plays a crucial role in phenomena such as dynamic recovery, recrystallization, and grain growth in polycrystalline materials. The overarching goal of this work is to develop a robust numerical tool to predict microstructure evolution during severe plastic deformation. This work is associated with the project titled, “Computational Modeling and Design of Radiation Tolerant Materials in Fusion Environments” sponsored by the DOE under grant SC0012774.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evolution of Pore Structure and Permeability of Rocks Under Hydrothermal Conditions (Final Report)

The physical and transport properties of porous rocks can be altered by a variety of diagenetic, metamorphic, and tectonic processes, and the changes that result are of critical importance to such industrial applications as resource recovery, carbon dioxide sequestration, and waste isolation in geologic formations. The associated interrelationships between rocks, pore fluids and deformation are also key to understanding many natural processes, including dynamic metamorphism, fault mechanics, fault stability and pressure solution creep. In this project, we investigated the changes of permeability and pore geometry owing to inelastic deformation by solution-transfer, brittle fracturing and dislocation creep. In particular, we studied the coupling between pore fluids and deformation in fluid-filled quartz, calcite, mudstones and ultramafic rocks and examine the effects of coupled mechanical and chemical processes on the evolution of porosity and permeability under hydrothermal conditions. The investigations used a combination of techniques, that included triaxial laboratory experiments; uniaxial compressive loading with in situ observations of microstructure; permeability under hydrostatic compression; observations of microstructure using optical and electron microscopes, and micro-CT imaging; and numerical calculations. Laboratory experiments were designed to provide mechanical and transport data under conditions that isolate the particular mechanisms responsible for the changes. The data obtained were used to quantify changes in surface roughness, porosity, pore dimensions and their spatial fluctuations. The results of the experiments and data from image analyses were compared to the results of network, finite-difference and other numerical models to verify the validity of experimentally established relations between permeability and other rock properties. A bibliography for the period from 2015-2019 is appended below. New results obtained in the final year and the unfunded extension period are detailed below.

58 GEOSCIENCES↗
DOE OSTI2023

Magnetic imaging of topological phases of matter (Final Report)

This project presents a detailed understanding of the local electronic transport in two different types of conductors. The experimental tools are a combination of local magnetic probes and electronic transport measurements. The first set of samples were superconducting microstructures that exhibited unusual transport behavior. Magnetic imaging revealed the presence of a strain field in the microstructures, which spatially modulated the superconducting properties. This strain field can be controlled through a variety of design parameters opening opportunities for a broad range of quantum materials including topological phases of matter. The second set of samples was fabricated from Cr-doped (Bi,Sb) 2 Te 3 heterostructures that exhibited the quantum anomalous Hall effect (QAHE). Magnetic imaging visualized the current flow in these devices, while simultaneous transport measurements verified that the devices exhibit the QAHE. Surprisingly, the current flowed in the interior of the sample even when exhibiting a high level of quantization.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Report on use of Inoculants in Missile Application Alloys

This report documents the status of current inoculant research relevant to missile application alloys and MTCR control language. The information is intended to provide data on current inoculants for us determining the current state of development and identifying potential research directions. Although there has been significant scientific research into the development and synthesis of inoculants, their current availability is limited is traditional powder inoculants employed during casting processes. However, research continues the development of complex oxides, ribbon materials, high entropy alloys, and other inoculant product forms, including the use of inoculants in the melt pools produced during additive manufacturing. Research to date has focused primarily on aluminum and steel alloys with emphasis on refining grain structures and evolving equiaxed morphologies while increasing strength and castability. The primary inoculants in steel and cast irons include TiN, SiC, FeSi75, and Ce which have increased strength properties. Chief inoculants for Al alloys often include TiC, SiC, Al3Sc(x) and TiB2 to aid in precipitation and refinement. Ti and Ni alloys have fewer research activities involving inoculants, although TiN, TiB, ZrN and LaB6 (for Ti alloys) and WC, Co3FeNb2, and CrFeNb (for Ni alloys) have been used. Sic, Al2O3, Mg and Ti are key inoculants for Mg alloys. Multiple cast alloys from each of the material classes demonstrated increased strength and performance properties using inoculants, with several approaching requirements applicable to missile service environments. The continued evolution of advanced manufacturing capabilities is making it easier to produce high temperature near net shape structural materials using inoculant powders. These shapes may include the geometric shapes addressed within the MTCR (tubes and limited wall thicknesses). The use of inoculants may enable further development of high temperature alloys into near net shapes traditionally produced via casting processes due to limited ductility. This may decrease material and manufacturing costs. In addition, inoculation provides controlled kinetics and achievable chemical segregation that enables potential for far-from equilibrium thermodynamic microstructures and chemistries that could provide new metastable alloy states and subsequent properties to address co-design engineering constraints, including needs for increased strength and ductility. It is recommended that specific material combinations within these alloy classes be carefully watched as the materials evolve, with controls aimed at those having material properties above current MTCR levels. This specifically includes the use of refractory inoculants in alloys, and the application of inoculants in high strength and high temperature alloys via additive manufacturing processes, with care to link capabilities to product forms similar to the current requirements on tube geometries and material feed stocks. The continued development of nanoparticle inoculants will increase strength and ductility of high strength castings and additive manufactured metallic components. For example, adding inoculants into the casting of maraging steels and other precipitation strengthened alloys may drastically elevate mechanical properties above the control limit of current regulations.

36 MATERIALS SCIENCE↗
NASA NTRS2007

Development of GRCop-84 for Rocket Engine Applications

GRCop-84 (Cu-8 at.% Cr-4 at.% Nb) has been under development at the NASA Glenn Research Center for several years. The alloy possesses a unique combination of good thermal conductivity, high elevated temperature strength, long creep lives and long low cycle fatigue lives. The alloy is also more oxidation resistant than pure copper and most competitive alloys. The combination of properties has attracted attention from major rocket engine manufacturers who are interested in the alloy for the combustion chamber liner in their next generation of regeneratively cooled engines. It is also a strong candidate for various components in hypersonic vehicles, which also experience very high heat flux conditions. This presentation will discuss the alloy design strategies used to develop GRCop-84 and the various processing routes available for manufacturing components. The microstructure and mechanical properties of the alloy will be reviewed, as well as the results of actual hot fire testing of subscale rocket combustion chambers. The use of environmental and thermal barrier coatings to extend the performance to even higher levels will also be discussed.

Ellis, David L.↗