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At least 1,387 records · Page 77

Dissociated vacancies and screw dislocations in MgO and UO 2 : atomistic modeling and linear elasticity analysis

Understanding the effect of dislocations on the mass transport in ionic ceramics is important for understanding the behavior of these materials in a variety of contexts. In particular, the dissociated nature of vacancies at screw dislocations, or more generally, at a wide range of low-angle twist grain-boundaries, has ramifications for the mechanism of defect migration and thus mass transport at these microstructural features. In this paper, a systematic study of the dissociated vacancies at screw dislocations in MgO is carried out. The important role of stress migration in the atomistic modeling study is identified. Another aspect of the current work is a rigorous treatment of the linear elasticity model. As a result, good agreement between the atomistic modeling results and the linear elasticity model is obtained. Furthermore, we demonstrate that the proposed vacancy dissociation mechanism can also be extended to more complicated ionic ceramics such as UO 2 , highlighting the generality of the mechanism.

36 MATERIALS SCIENCE↗

Unraveling the Atomic Mechanism of the Crystalline Phase‐Dependent Structural Features and Special Spectral Design of α‐, β‐, and Ɛ‐Ga₂O₃

Atomic‐scale phase transformations profoundly influence the functional properties of Ga₂O₃ polymorphs. By combining irradiation experiments with microstructure characterization and theoretical approaches, phase‐specific energy‐dissipation pathways in α‐, β‐, and ε‐Ga₂O₃ are uncovered and strategies for targeted property design are outlined. Competing antiphase boundaries (APBs) and twin domain boundaries (TDBs) promote irreversible α→ε interconversion through domain fragmentation. In β‐Ga₂O₃, defect‐induced stress gradients drive two distinct local transformations: surface Ga‐aggregated β→δ that stabilizes transient states, and latent‐track‐confined β→κ phase transition with recoverable distortions via cation reordering. Under electronic excitation, β‐Ga₂O₃ forms nanohillocks via robust GaO₆ octahedra (high density/strong Ga─O bonds), while α/ε‐Ga₂O₃ generates nanopores from tetrahedral Ga looseness (low bonding energy), highlighting phase‐dependent surface dynamics shaped by atomic packing and bonding anisotropy. Defect‐regulated recombination suppresses visible photoluminescence in α/β‐Ga₂O₃, whereas in ε‐Ga₂O₃ bandgap narrowing of ΔE: 0.30 eV is observed, enhancing emission. Linking phase‐dependent defect‐carrier interactions and metastable‐phase engineering in Ga₂O₃ enables property optimization for power‐electronics and optoelectronics devices.

electronic state configuration↗

Mesh Generation for Microstructures

A parallel, adaptive overlay grid procedure is proposed for use in generating all-hex meshes for stochastic (SVE) and representative (RVE) volume elements in computational materials modeling. The mesh generation process is outlined including several new advancements such as data filtering to improve mesh quality from voxelated and 3D image sources, improvements to the primal contouring method for constructing material interfaces and pillowing to improve mesh quality at boundaries. We show specific examples in crystal plasticity and syntactic foam modeling that have benefitted from the proposed mesh generation procedure and illustrate results of the procedure with several practical mesh examples.

36 MATERIALS SCIENCE↗

Developing Stable Critical Materials and Microstructure for High-Flux and Efficient Hydrogen Production through Reversible Solid Oxide Cells

Reversible Solid Oxide Cells (RSOCs), which operate as either Solid Oxide Fuel Cells (SOFCs) or Solid Oxide Electrolytic Cells (SOECs), hold great promise for clean, high-efficiency energy conversion and hydrogen production. However, their commercial potential is hindered by stability issues arising from temperature-induced materials degradation. While substantial progress has been made in developing durable, reduced-temperature SOFCs - bringing them closer to commercial deployment, SOECs still exhibit substantially higher degradation rates at both the cell and stack levels under practical operating conditions.

08 HYDROGEN↗

Fatigue Performance of an Improved Creep Strength 10%Cr Steel

The deployment of 9-12% Cr steels for elevated temperature applications up to 650 °C presents a cost-effective alternative to more expensive nickel-based alloys in steam turbine power generation. To enhance creep resistance at this temperature range, a novel ferritic-martensitic steel, designated CPJ7, was developed and fabricated at the National Energy Technology Laboratory. The alloy design aimed to mitigate the transformation of strengthening carbides into deleterious phases that degrade creep performance. Results have demonstrated that CPJ7 exhibits favorable creep and oxidation resistance at 650 °C. However, its fatigue performance remains unexplored. This study builds upon prior research by evaluating the low cycle fatigue behavior of CPJ7 and verifying that modifications beneficial to creep performance were not detrimental to the fatigue performance. The alloy was tested at both 650 °C and ambient temperature under fully reversed bending conditions (R = − 1) and a load ratio of 0.05. Furthermore, the alloy exhibits cyclic softening, a behavior consistent with other 9-10 wt.% Cr steels. Analysis of the microstructure and hysteresis loops further corroborate cyclic softening mechanisms typical of ferritic-martensitic steels. Overall, the fatigue performance of CPJ7 meets or exceeds that of P91 steel, demonstrating its potential for high-temperature structural applications.

9% Cr ferritic-martensitic steel↗

Nanoscale conditions for ductile void nucleation in copper: vacancy condensation and the growth-limited microstructural state

Ductile rupture or tearing usually involves structural degradation from the nucleation and growth of voids and their coalescence into cracks. Although some materials contain preexisting pores, the first step in failure is often the formation of voids. Because this step can govern both the failure strain and the fracture mechanism, it is critical to understand the mechanisms of void nucleation and the enabling microstructural configurations which give rise to nucleation. To understand the role of dislocations during void nucleation, the present study presents ex-situ cross-sectional observations of interrupted deformation experiments revealing incipient, subsurface voids in a copper material containing copper oxide inclusions. The local microstructural state was evaluated using electron backscatter diffraction (EBSD), electron channeling contrast (ECC), transmission electron microscopy (TEM), and transmission kikuchi diffraction (TKD). Surprisingly, before substantial growth and coalescence had occurred, the deformation process had resulted in the nucleation of a high density of nanoscale (≈50 μm) voids in the deeply deformed neck region where strains were on the order of 1.5. Such a proliferation of nucleation sites immediately suggests that the rupture process is limited by void growth, not nucleation. With regard to void growth, analysis of more than 20 microscale voids suggests that dislocation boundaries facilitate the growth process. The present observations call into question prior assumptions on the role of dislocation pile-ups and provide new context for the formulation of revised ductile rupture models. While the focus of this study is on damage accumulation in a highly ductile metal containing small, well-dispersed particles, these results are also applicable to understanding void nucleation in engineering alloys.

36 MATERIALS SCIENCE↗

Impact of grain boundaries on efficiency and stability of organic-inorganic trihalide perovskites

Organic-inorganic perovskite solar cells have attracted tremendous attention because of their remarkably high power conversion efficiencies. To further improve device performance, it is imperative to obtain fundamental understandings on the photo-response and long-term stability down to the microscopic level. Here, we report the quantitative nanoscale photoconductivity imaging on two methylammonium lead triiodide thin films with different efficiencies by light-stimulated microwave impedance microscopy. The microwave signals are largely uniform across grains and grain boundaries, suggesting that microstructures do not lead to strong spatial variations of the intrinsic photo-response. In contrast, the measured photoconductivity and lifetime are strongly affected by bulk properties such as the sample crystallinity. As visualized by the spatial evolution of local photoconductivity, the degradation process begins with the disintegration of grains rather than nucleation and propagation from visible boundaries between grains. In conclusion, our findings provide insights to improve the electro-optical properties of perovskite thin films towards large-scale commercialization.

14 SOLAR ENERGY↗

Process-dependent anisotropic thermal conductivity of laser powder bed fusion AlSi10Mg: impact of microstructure and aluminum-silicon interfaces

Purpose AlSi10Mg alloy is commonly used in laser powder bed fusion due to its printability, relatively high thermal conductivity, low density and good mechanical properties. However, the thermal conductivity of as-built materials as a function of processing (energy density, laser power, laser scanning speed, support structure) and build orientation, are not well explored in the literature. This study aims to elucidate the relationship between processing, microstructure, and thermal conductivity. Design/methodology/approach The thermal conductivity of laser powder bed fusion (L-PBF) AlSi10Mg samples are investigated by the flash diffusivity and frequency domain thermoreflectance (FDTR) techniques. Thermal conductivities are linked to the microstructure of L-PBF AlSi10Mg, which changes with processing conditions. The through-plane exceeded the in-plane thermal conductivity for all energy densities. A co-located thermal conductivity map by frequency domain thermoreflectance (FDTR) and crystallographic grain orientation map by electron backscattered diffraction (EBSD) was used to investigate the effect of microstructure on thermal conductivity. Findings The highest through-plane thermal conductivity (136 ± 2 W/m-K) was achieved at 59 J/mm 3 and exceeded the values reported previously. The in-plane thermal conductivity peaked at 117 ± 2 W/m-K at 50 J/mm 3 . The trend of thermal conductivity reducing with energy density at similar porosity was primarily due to the reduced grain size producing more Al-Si interfaces that pose thermal resistance. At these interfaces, thermal energy must convert from electrons in the aluminum to phonons in the silicon. The co-located thermal conductivity and crystallographic grain orientation maps confirmed that larger colonies of columnar grains have higher thermal conductivity compared to smaller columnar grains. Practical implications The thermal properties of AlSi10Mg are crucial to heat transfer applications including additively manufactured heatsinks, cold plates, vapor chambers, heat pipes, enclosures and heat exchangers. Additionally, thermal-based nondestructive testing methods require these properties for applications such as defect detection and simulation of L-PBF processes. Industrial standards for L-PBF processes and components can use the data for thermal applications. Originality/value To the best of the authors’ knowledge, this paper is the first to make coupled thermal conductivity maps that were matched to microstructure for L-PBF AlSi10Mg aluminum alloy. This was achieved by a unique in-house thermal conductivity mapping setup and relating the data to local SEM EBSD maps. This provides the first conclusive proof that larger grain sizes can achieve higher thermal conductivity for this processing method and material system. This study also shows that control of the solidification can result in higher thermal conductivity. It was also the first to find that the build substrate (with or without support) has a large effect on thermal conductivity.

Engineering↗

NASA's Nuclear Thermal Propulsion Project

Space fission power systems can provide a power rich environment anywhere in the solar system, independent of available sunlight. Space fission propulsion offers the potential for enabling rapid, affordable access to any point in the solar system. One type of space fission propulsion is Nuclear Thermal Propulsion (NTP). NTP systems operate by using a fission reactor to heat hydrogen to very high temperature (>2500 K) and expanding the hot hydrogen through a supersonic nozzle. First generation NTP systems are designed to have an Isp of approximately 900 s. The high Isp of NTP enables rapid crew transfer to destinations such as Mars, and can also help reduce mission cost, improve logistics (fewer launches), and provide other benefits. However, for NTP systems to be utilized they must be affordable and viable to develop. NASA's Advanced Exploration Systems (AES) NTP project is a technology development project that will help assess the affordability and viability of NTP. Early work has included fabrication of representative graphite composite fuel element segments, coating of representative graphite composite fuel element segments, fabrication of representative cermet fuel element segments, and testing of fuel element segments in the Compact Fuel Element Environmental Tester (CFEET). Near-term activities will include testing approximately 16" fuel element segments in the Nuclear Thermal Rocket Element Environmental Simulator (NTREES), and ongoing research into improving fuel microstructure and coatings. In addition to recapturing fuels technology, affordable development, qualification, and utilization strategies must be devised. Options such as using low-enriched uranium (LEU) instead of highly-enriched uranium (HEU) are being assessed, although that option requires development of a key technology before it can be applied to NTP in the thrust range of interest. Ground test facilities will be required, especially if NTP is to be used in conjunction with high value or crewed missions. There are potential options for either modifying existing facilities or constructing new ground test facilities. At least three potential options exist for reducing (or eliminating) the release of radioactivity into the environment during ground testing. These include fully containing the NTP exhaust during the ground test, scrubbing the exhaust, or utilizing an existing borehole at the Nevada National Security Site (NNSS) to filter the exhaust. Finally, the project is considering the potential for an early flight demonstration of an engine very similar to one that could be used to support human Mars or other ambitious missions. The flight demonstration could be an important step towards the eventual utilization of NTP.

Houts, Michael↗

Spall fracture in additive manufactured tantalum

In this work, we present a series of experiments on the response of additive manufactured (AM) tantalum to dynamic loading, specifically the spall strength. Rectangular plates of AM tantalum were produced, with subsequent characterization revealing a highly anisotropic microstructure. Samples were taken from these plates to investigate the effect of anisotropy on the spall strength: the resistance to high strain-rate tensile damage. A conventional, wrought tantalum sample, possessing an equiaxed microstructure, was also tested to serve as a control. Additionally, shock loading was performed via light gas-gun flyer-plate impact experiments, with laser velocimetry on the rear of the samples to record the shock wave profiles and soft-recovery techniques to allow post-mortem analysis. In general, the AM samples were found to have a higher Hugoniot elastic limit, the dynamic yield strength under shock loading, while having a reduced spall strength, when compared to the wrought tantalum samples.

36 MATERIALS SCIENCE↗

Mechanofusion for Improved Control of Cermet TPBAR Pellet Microstructure

Mechanofusion is an alternative fabrication technique that has the potential to advance cermet TPBAR pellets by producing LiAlO 2 -Zr core-shell powders that will provide tighter control of targeted microstructural characteristics such as the presence and thickness of Zr surrounding every LiAlO 2 particle in the cermet. Significantly enhanced microstructural control will translate to improved control of material properties and characteristics that affect the in-reactor performance of cermet TPBAR pellets. It was the intention of this work to demonstrate the efficacy of mechanofusion for producing precursor powders for TPBAR pellets, however materials procurement issues prevented this objective from being fully realized. In spite of these issues, in the short amount of time during which appropriate materials were available, it was demonstrated that mechanofusion does indeed have promise for producing the desired structures although the process yet requires optimization.

36 MATERIALS SCIENCE↗

Electron beam surface remelting enhanced corrosion resistance of additively manufactured Ti-6Al-4V as a potential in-situ re-finishing technique

This study explores the effect of surface re-finishing on the corrosion behavior of electron beam manufactured (EBM) Ti-G5 (Ti-6Al-4V), including the novel application of an electron beam surface remelting (EBSR) technique. Specifically, the relationship between material surface roughness and corrosion resistance was examined. Surface roughness was tested in the as-printed (AP), mechanically polished (MP), and EBSR states and compared to wrought (WR) counterparts. Electrochemical measurements were performed in chloride-containing media. It was observed that surface roughness, rather than differences in the underlying microstructure, played a more significant role in the general corrosion resistance in the environment explored here. While both MP and EBSR methods reduced surface roughness and enhanced corrosion resistance, mechanical polishing has many known limitations. The EBSR process explored herein demonstrated positive preliminary results. The surface roughness (R a ) of the EBM-AP material was considerably reduced by 82%. Additionally, the measured corrosion current density in 0.6 M NaCl for the EBSR sample is 0.05 µA cm –2 , five times less than the value obtained for the EBM-AP specimen (0.26 µA cm –2 ).

42 ENGINEERING↗

Extraction of Mercury Utilizing 3D Printed Media - Mercury Extraction Coalescer (MEC) (Revision 1)

The presence of mercury in environmental or industrial settings presents a number of issues from bio-accumulation to production of toxic by-products. The primary objective of this project was the development of a 3D printed component designed to act as a coalescing filter for the removal or segregation of elemental mercury from aqueous streams. The use of 3D printing allows for the design and integration of surface microstructures and internal geometries that could be difficult if not impossible to achieve through traditional manufacturing techniques. The initial phase of testing focused on the integration of 3D printed components into both environmental remediation testing (university subcontracted testing) and simulations of high-level nuclear waste processing (SRNL). Structures ranged from simple torturous paths that provided regions where the elemental mercury could settle out of the recirculation process to micro-structured frits that have increased surface area for aid in droplet coalescence and surface adsorption.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Aerogel Projects Ongoing in MSFC's Engineering Directorate

When we speak of an aerogel material, we are referring more to process and structure am to a specific substance. Aerogel, considered the lightest solid material, has been made from silica for seventy years. Resorcinol-formaldehyde, organic aerogels have been developed more recently. However, aerogel can be made from almost any type of substance, even lead. Because an aerogel is mostly air (about 99 %), the solid substance used will affect the weight very little. The term "aerogel" connotes the sol-gel process used to manufacture the material. The aerogel begins as a liquid "sol," becomes a solid "alcogel," and is then dried to become an "aerogel." The final product has a unique structure, useful for exploitation. It is an "open pore" system with nano-sized particles and pores, has very high surface area, and is highly interconnected. Besides low weight, aerogels have ultimate (lowest) values in other properties: thermal conductivity, refractive index, sound speed, and dielectric constant. Aerogels were first prepared in 1931 by Steven Kistler, who used a supercritical drying step to replace the liquid in a gel with air, preserving the structure (1). Kistler's procedure involved a water-to-alcohol exchange step; in the 1970's, this step was eliminated when a French investigator introduced the use of tetramethylorthosilicate. Still, alcohol drying involved dangerously high temperatures and pressures. In the 1980's, the Microstructured Materials Group at Berkeley Laboratory found that the alcohol in the gel could be replaced with liquid carbon dioxide before supercritical drying, which greatly improved safety (2). 'Me most recent major contribution has been that of Deshpande, Smith and Brinker in New Mexico, who are working to eliminate the supercritical drying step (3). When aerogels were first being developed, they were evaporatively dried. However, the wet gel, when dried, underwent severe shrinkage and cracking; this product was termed "xerogel." When the autoclave drying step was introduced, the final product was without cracks and showed only minimal shrinkage; this product was termed "aerogel." In the 1990's, Deshpande, Smith and Brinker developed an evaporative drying procedure in which the wet gel is chemically "capped" so that the material, which undergoes shrinkage, springs back to its original size when evaporatively dried. This new type of xerogel, while uncracked and almost the same size as the wet gel, differs from the autoclave-dried product in that it is less porous (approximately 70%, as compared to 99% for aerogels).

Shular, David A.↗

Tensile properties of the neutron irradiated HT-9 ACO-3 duct

HT-9, a ferritic-Martensitic steel, has attracted significant interest as a structural and cladding material for a variety of high dose nuclear component applications. This study examines the tensile properties of a HT-9 fuel assembly duct from the fast flux test facility, FFTF. The duct, from the Advanced Core Oxide-3 (ACO-3) irradiation test, was subjected to fast neutron irradiation exposure ranging from 3 dpa above the core top to nearly 155 dpa near the core mid-plane, spanning a temperature range from 382 °C at the lower end to 504 °C at the top. Due to the combination of thermal and neutron flux gradients along the core height. This yields a variety of irradiation damage processes which depend on core location. Tensile properties of specimens extracted at different positions along the height of the irradiated duct were measured at 25 °C, 200 °C and near their in-core irradiation temperature. The results show temperature has a greater impact than dose on post-irradiation strength and ductility. Two irradiation temperature regimes were determined, below irradiation temperatures of 420 °C irradiation hardening increases as irradiation temperature decreases, and above that temperature relatively minor changes are observed in tensile properties. These results are discussed in terms of expected microstructural changes, indicating that dislocation content is a strong contributor in these findings.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Advanced Models for Nondestructive Evaluation of Aging Nuclear Power Plant Cables

Background: Nuclear power plant (NPP) cables must function correctly for proper power supply and control of the nuclear reactor. This is especially important for public and environmental safety at critical times such as during reactor shut-down following loss of coolant. Over extended periods of service, the cable insulation and jacket polymer materials suffer from degradation due to exposure to environmental stressors such as heat and ionizing radiation. The focus of this project has been the development of detailed descriptions of the way in which insulation polymers degrade, from a materials science perspective, and the development of new electrical techniques to monitor cable polymer condition nondestructively. Objectives: The objectives of this project have been to i) perform detailed characterization experiments upon cable insulation polymers that have experienced thermal and radiation exposure mimicking that received during NPP operation, including the exploration of novel cable nondestructive evaluation methods; capacitive, THz and infrared methods; ii) identify the most sensitive indicators of aging in these materials, and iii) develop advanced, validated models describing microstructural and chemical changes that are observed in cable insulation polymers due to thermal and radiation exposure. Methods: Accelerated aging was performed on the two most common United States NPP cable insulation polymers (cross-linked polyethylene (XLPE) and ethylene propylene rubber (EPR)) under various conditions of elevated temperature and gamma radiation dose. Aging mechanisms were elucidated through extensive thermal, mechanical and microscopic characterization of the aged samples, and materials modeling. Dielectric and IR spectra were measured on pristine and aged samples. Data was analyzed statistically, via multiple linear regression, partial least squares and probabilistic neural network approaches. Impact: Extant cable monitoring techniques do not deal successfully with all polymer types. This research has laid a foundation upon which new electrical nondestructive test methods for cable polymer condition monitoring may be developed, hence launching the development of new test methods for cable insulation monitoring based on measuring electrical rather than mechanical parameters. Collaboration: This project has benefitted from collaboration between experts in materials science and engineering, materials modeling, electrical engineering, and nondestructive evaluation. The majority of the characterization measurements were carried out at Iowa State University. Materials modeling was carried out primarily at Washington State University. Irradiation of samples took place at Pacific Northwest National Laboratory (PNNL), where a student intern from Iowa State was hosted for one summer, setting up the aging experiments. A research student from the University of Bologna, Italy, joined the project for their thesis research at Iowa State University with samples provided by PNNL. The project benefitted from regular involvement of senior engineers in US-based industry partners. Project investigators presented findings at various national and international conferences and workshops.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Creep Property of Intermetallic Dispersive Steels for Nuclear Applications

To meet the materials performance demands of next-generation nuclear and high-temperature energy systems, a new class of intermetallic-dispersive steels (IDS) has been designed through integrated computational thermodynamics and alloy design strategies. The IDS alloys incorporate coherent L1₂ (γ′-Ni₃Al) nanoprecipitates within an Fe–Ni–Cr austenitic matrix, engineered to achieve both high temperature strength and thermodynamic stability while suppressing the formation of detrimental δ-Ni₃Nb and η-Ni₃Ti phases. Initial creep testing of Ti-IDS and TiTa-IDS alloys demonstrates rupture lives comparable to or exceeding those of Inconel 718 and ODS steels, despite being fabricated through conventional ingot metallurgy. Step-load creep tests identified a stress threshold near 300–350 MPa for the onset of tertiary creep, and in-situ neutron diffraction experiments on Ti-IDS revealed clear load partitioning between the matrix and γ′ precipitates: elastic strain is shared by both phases, while plastic strain localizes in the matrix. These results confirm that stable γ′–matrix interfaces play a dominant role in retarding dislocation motion and enhancing creep resistance. In FY26, the program will conduct repeat creep rupture testing of TiTa-IDS at 650 °C/400 MPa, initiate long-term rupture testing of TiNb-IDS, and perform TEM-based microstructural characterization to elucidate dislocation–precipitate interactions and microstructural stability. Collectively, these efforts will establish the mechanistic foundation for next-generation high-temperature structural materials based on the IDS concept.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗