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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Phase-field simulations of fission gas bubble growth and interconnection in U-(Pu)-Zr nuclear fuel

Abstract The growth and interconnection of fission gas bubbles in the hotter central regions of U-(Pu)-Zr nuclear fuel has been simulated with a phase-field model. The Cahn-Hilliard equation was used to represent the two-phase microstructure, with a single defect species. The volume fraction of the bubble phase and surface area of the bubble-matrix interface were determined during growth and interconnection. Surface area increased rapidly during the initial stages of growth, then slowed and finally decreased as bubble interconnection began and coarsening acted to reduce surface area. The fraction of the bubbles vented to a simulation domain boundary, f V , was quantified as a measure of the microstructure’s interconnectivity and plotted as a function of porosity p . The defect species diffusivity was varied; although changes in diffusivity significantly affected the microstructure, the plots of f V vs. p did not change significantly. The percolation threshold p c was calculated to be approximately 0.26, depending on the assumed diffusivity and using an initial bubble number density based on experimental observations. This is slightly smaller than the percolation threshold for continuum percolation of overlapping 3D spheres. The simulation results were used to parameterize two different engineering-scale swelling models for U-(Pu)-Zr in the nuclear fuel performance code BISON.

Aagesen, Larry K. (ORCID:000000034936676X)↗
DOE OSTI2018

Microstructural packing- and rheology-based binder selection and characterization for Ultra-high Performance Concrete (UHPC)

This paper reports strategies to design the binder phase of ultra-high performance concretes (UHPC) from commonly available cement replacement (fly ash, slag, microsilica, metakaolin) and fine filler (limestone) materials. A packing algorithm is used to extract the number density, mean centroidal distance, and coordination number of the microstructure. Similarly, rheological studies on the pastes provide yield stress, plastic viscosity, and min-slump spread. The selection criteria involves using the three microstructural and three rheological parameters individually or in combination to define packing and flow coefficients. The selection criteria is flexible enough to allow users modify the constraints depending on the application. In this study, only ternary and quaternary blends, with a total cement replacement of 30% by mass are selected for further characterization. The highly efficient microstructural packing in these mixtures and better workability that facilitated dispersion of particles to enhance the reactivity results in beneficial pore structure and mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modeling shock-induced void collapse in single-crystal Ta systems at the mesoscales

Understanding the role of microstructural heterogeneities on the shock wave propagation and defect evolution behavior is essential to predicting the dynamic response of metals. Heterogeneities, such as voids, provide challenges to understanding the wave propagation behavior as the shock-void interaction can collapse the void and result in large plastic strains and significant heating (hot spot formation) in the metal. Accurate modeling of this phenomenon requires predicting the void collapse mechanisms and the related heat generation and dissipation mechanisms (hotspot formation) that determine the microstructure evolution. While molecular dynamics (MD) simulations can model the void collapse behavior, the time/length scale capabilities pose a challenge to connect with continuum models or the experimental scales. Here, this study presents the capability of the newly developed quasi-coarse-grained dynamics (QCGD) method that extends the MD simulations to larger system sizes and longer times to model this phenomenon. This study uses QCGD simulations to investigate the mechanisms of shock wave interactions with pre-existing voids in single-crystal Ta microstructures for variations in shock pressures, void size, and loading orientations. For a given orientation, the plasticity contributions and rates of void collapse are observed to vary with shock pressures and void size. The larger void sizes and higher pressures result in increased temperatures (hot spots) and faster void collapse rates and unravel the variations in the plasticity contributions. In addition, QCGD simulations investigate the post-collapse microstructure evolution as a release wave travels through the hot spot region. The simulations reveal that the reduction in temperatures due to heat dissipation initiates the dynamic recrystallization behavior in the hotspot regions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A robust process-structure model for predicting the joint interface structure in impact welding

The impact welding is gaining popularity in joining of dissimilar metals as any intermetallics are often very thin or discontinous with little to no heat affected zone resulting from the process. This work focuses on a recently developed impact welding technique, known as the Vaporizing Foil Actuator Welding (VFAW), which uses the pressure created from the electrically driven rapid vaporization of a thin metallic conductor to drive the flyer. A typical characteristic of an impact-welded joint is the wavy weld interface which is attributed to the complex interfacial kinematics resulting from the high-speed oblique impact of the metal plates. A numerical simulation framework based on the finite element method (FEM) with Eulerian formalism is developed to model the high-speed impact between the metal plates. The model accounts for the thermomechanical interactions in the process and captures the complex interfacial deformations. A thorough validation of the model is achieved by comparing the wave characteristics obtained from numerical simulations with the experimental results from vaporizing foil actuator welding. The amplitude and wavelength of the interfacial waves and the resulting joint microstructure is shown to be strongly dependent on the process conditions and the specific material system, which is well captured by the model.

42 ENGINEERING↗
DOE OSTI2018

Characterization of Cotton Ball-like Au/ZnO Photocatalyst Synthesized in a Micro-Reactor

Noble metal/metal oxide nanostructures are an efficient system in photocatalysis. Continuous and scalable production of advanced particle systems will be a requirement for commercial-scale deployment for many applications, including photocatalysis. In this work, Au/ZnO structures were synthesized in a continuous flow micro-reactor at room temperature and the detailed characteristics of the product indicate a specific cotton ball-like core-shell microstructure that showcases specific advantages compared to traditional batch synthesis methods. The formation pathway of the core-shell Au/ZnO structures is discussed with the pH-dependent speciation diagram, and photocatalytic activity was assessed under simulated sunlight, demonstrating the enhanced performance of the cotton ball-like Au/ZnO microstructures in photocatalytic dye degradation. This work describes the application of microreaction technology in the continuous production of metal/metal oxide photocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Cyclic Spin Testing of Superalloy Disks With a Dual Grain Microstructure

An aggressive cyclic spin test program was run to verify the reliability of superalloy disks with a dual grain structure, fine grain bore and coarse grain rim, utilizing a disk design with web holes bisecting the grain size transition zone. Results of these tests were compared with conventional disks with uniform grain structures. Analysis of the test results indicated the cyclic performance of disks with a dual grain structure could be estimated to a level of accuracy which does not appear to prohibit the use of this technology in advanced gas turbine engines, although further refinement of lifing methodology is clearly warranted.

Gayda, John↗
DOE OSTI2022

Microstructural Effects of PETN on Detonator Performance

The strategic motivation of the project is guided by the Need to understand: material characteristics important to performance; how to most appropriately measure/monitor these characteristics; and, evolution of these characteristics through lifetime and storage conditions.

36 MATERIALS SCIENCE↗
NASA NTRS2026

Assessment of Near-Angle Scatter on Exo-Earth Coronagraphy

Near-Angle Scatter (NAS) of the host star’s light into the coronagraph dark hole may limit the ability of a potential Habitable Worlds Observatory (HWO) to detect and characterize an Earth-like planet around a Sun-like star. This paper summarizes a 5-year investigation of the impact of NAS on high-contrast coronagraphy. Science requirements were flowed down to a draft flux ratio noise ratio (FRN) error budget with allocations for NAS. The modeled sources of NAS include correlated (low and mid-spatial) surface structure, uncorrelated surface microroughness and coating structure, particulate contamination, micrometeoroid impacts and polarization leakage. The paper develops specifications for these sources of scattered light that meet their FRN error budget allocations, distinguishing between scatter that can and cannot be modulated. The development process utilizes an analytical expression that predicts scatter throughput into the dark hole based on BRDF/BSDF. Using this relationship, Photon Engineering performed a FRED® straylight analysis of the HWO EAC-1 (Exploratory Analytical Case #1) coronagraph to parametrically study predicted scattered light contrast in the dark hole. The model revealed that primary mirror microroughness or contamination is not a significant source of scattered light; the most critical surfaces are the smallest and those located closest to the coronagraph focal plane mask. The assessment found that uncorrelated microstructure, contamination, and micrometeoroid impacts require more investigation and potential significant sources of unmodulated scattered light, and highlights that slow thermal wavefront drift is an order of magnitude more impactful than fast mechanical jitter.

coronagraphy↗
DOE OSTI2025

Microstructure & Mechanical Properties of Scaled Thermally Aged LPBF 316H SS Builds

As part of the US Department of Energy’s Advanced Materials and Manufacturing Technologies program’s mission to accelerate qualification of advanced manufacturing pathways for nuclear applications, laser powder bed fusion (LPBF) 316H stainless steel (SS) has been selected as a model system to develop a rapid code case framework. This effort directly addresses the grand challenges of (1)expanding the limited portfolio of materials currently codified for elevated-temperature nuclear structural service under Section III, Division 5of the American Society of Mechanical Engineers’ Boiler and Pressure Vessel Code; and (2) significantly reducing qualification timelines that traditionally exceed a decade. The strategic importance of LPBF 316H lies in its immediate industrial relevance, existing data foundation from wrought 316H, and alignment with ongoing code case development for LPBF 316L.Prior work revealed accelerated precipitation of deleterious secondary phases and reduced creep ductility in as-printed LPBF 316H. Building on that prior research, FY2025activities focused on establishing an understanding of the key failure mechanisms of crept 316H specimens to aid in code case development and on evaluating stress relief (SR) parameters on the high-temperature performance and thermal aging-induced degradation of tensile and fracture behavior in LPBF316H.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Rapid Assessment of the Ce-Co-Fe-Cu System for Permanent Magnetic Applications

Here, this work focuses on the rapid synthesis and characterization of quaternary Ce(CoFeCu) 5 alloy libraries to assess their potential viability as permanent magnets. Arrays of bulk specimens with controlled compositions were synthesized via laser engineered net shaping (LENS) by feeding different ratios of alloy powders into a melt pool created by a laser. Based on the assessment of the magnetic properties of the LENS printed samples, arc-melted and cast ingots were prepared with varying Fe (5–20 at.%) and Co (60–45 at.%) compositions while maintaining constant Ce (16 at.%) and Cu (19 at.%) content. The evolution of the microstructure and phases with varying chemical compositions and their dependence on magnetic properties are analyzed in as-cast and heat-treated samples. In both the LENS printed and cast samples, we find the best magnetic properties correspond to a predominantly single-phase Ce(CoFeCu) 5 microstructure in which high coercivity ( H c > 10 kOe) can be achieved without any microstructural refinement.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Anomaly Detection in Materials Digital Twins with Multiscale ICME for Additive Manufacturing

Detecting anomaly in fatigue and fracture experimental materials science is an interesting yet challenging topic. The reasons are threefold. First, the anomalous microstructure feature that gives rise to structural failure is small, sometimes in the order of 10 -7 of the interrogated volume. This, in turn, results in a highly imbalanced classification problem in machine learning (ML). Second, the consequence is high, in the sense that the test specimen is destructed in such case. Third, the convolution between microstructure stochasticity and the small probability of void nucleation, growth, and coalescence makes failure and fracture a hard-to-predict and challenging problem in materials science due to its irreproducibility, even experimentally. In this paper, we developed a materials digital twin and applied anomaly detection methods to detect voids and anomaly in additive manufacturing (AM). The materials digital twin is driven by two integrated computational materials engineering (ICME) models, which are kinetic Monte Carlo (kMC) and crystal plasticity finite element method (CPFEM). In conclusion, we demonstrated that by using anomaly detection, it is possible to detect voids and other defects in materials digital twin, which paves way for future research in integrating materials digital twin with its physical counterpart.

ICME↗
DOE OSTI2026

Tensile creep properties of NbTaTi and NbTaTiV refractory complex concentrated alloys

Refractory complex concentrated alloys (RCCAs) have emerged as promising candidates for high-temperature structural applications due to their high melting points and potential for exceptional strength, whereas their creep properties remain relatively underexplored. Here, we investigate the tensile creep behavior of NbTaTi and NbTaTiV in high vacuum to elucidate the influence of alloying on creep mechanisms. NbTaTiV exhibits higher creep resistance than NbTaTi, which is attributed to V-induced edge-dislocation-glide-controlled deformation. Microstructural analysis reveals the formation of Ti- and interstitial impurity-rich secondary phases during creep, which enhances the creep resistance without significant embrittlement. Stress exponents (∼3) and activation energies (∼those for vacancy diffusion) align with thermally activated dislocation glide-controlled creep. Despite NbTaTiV surpassing Ni-based superalloys in yield strength at elevated temperatures, its single-phase BCC structure limits creep resistance under engineering-relevant conditions, highlighting the necessity of deliberate secondary phase design to achieve competitive high-temperature performance.

Complex concentrated alloys↗
DOE OSTI2026

Multi-material additive manufacturing of aluminum 6061-T6 alloy with stainless steel 304: Suppression of intermetallic compounds and interface growth mechanism

Fabricating integrated aluminum-steel structures is difficult because of metallurgical incompatibilities that promote intermetallic compound (IMC) formation at their interfaces. This work introduces a practical route for additively manufacturing 6061-T6 aluminum alloy (AA6061-T6) directly onto 304 stainless steel (SS304) using a high shear strain rate-assisted interfacial bonding mechanism. Through the friction extrusion deposition-based additive manufacturing method, both single- and multi-layer deposits of AA6061-T6 were successfully fabricated on SS304, yielding a robust hybrid multi-material structure. Comprehensive analyses of deposition quality, interface porosity, and bonding performance showed that the interface achieved a tensile strength exceeding 154 MPa under quasi-static loading. Microstructural observations revealed that the deposited aluminum layers experienced severe plastic deformation, resulting in pronounced grain refinement. Importantly, the interfacial zone was found to be free of brittle IMCs, instead containing a thin amorphous layer that evolved through a non-linear reaction-zone growth law. This solid-state additive strategy establishes a promising pathway for lightweight structural systems, nuclear energy component cladding, and multifunctional engineering components, redefining how dissimilar metals can be integrated for advanced applications.

Aluminum alloy↗
DOE OSTI2021

A microscopic and crystallographic study of proton irradiated alloy 718

Solution annealing and age hardening are important processes for achieving good engineering and chemical properties of alloy 718. The composition of alloy 718 also plays an important role as it can affect both mechanical (γ”- and γ’-phase formation) and irradiation behaviors. Therefore, in this study five different sets of alloy 718 samples with two different chemical compositions were fabricated using different processing conditions and irradiated up to 4 dpa. Based on the effects of irradiation on the microstructural data of γ”- and γ’-phases, irradiation-induced dislocation statistics, and crystallographic data, it can be inferred that the samples processed at high solution annealing temperature (1093°C) behave better under irradiation compared to the samples processed at low solution annealing temperatures (945 and 1065°C).

36 MATERIALS SCIENCE↗
DOE OSTI2019

Progress on Grizzly Development for Reactor Pressure Vessels and Reinforced Concrete Structures

The Grizzly code has been under development for the U.S. Department of Energy’s Light Water Reactor Sustainability program to provide predictive tools for the evolution of material degradation in critical light water reactor structural components due to long-term exposure to the environmental conditions of normal reactor operation, and for the effects of this degradation on the safety of these components. This development has primarily targeted reactor pressure vessels and reinforced concrete structures. Work performed during Fiscal Year 2019 added important features for both of these types of structures. For probabilistic fracture mechanics analysis of reactor pressure vessels, capabilities were added to account for the effects of warm prestressing and residual stresses, as well as to model crack initiation, growth, and arrest. For modeling microstructure evolution in reactor pressure vessels, a cluster dynamics model for evolution of Mn-Ni-Si phases has been implemented. For modeling degraded reinforced concrete structures, capabilities to consider the combined effects of damage and creep in the concrete constitutive model and model nonlinear behavior of reinforcing bars has been added. These newly-developed features fill important gaps in Grizzly’s feature set for engineering-scale analysis of degraded reactor pressure vessels and reinforced concrete structures. Grizzly development in both of these areas has reached a point where it is ready for extensive testing on relevant engineering problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗