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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Neutron diffraction illustrates residual stress behavior of welded alloys used as radioactive confinement boundary

Corrosion-resistant welded alloys are frequently used as a leak-tight boundary in critical applications that require confinement of hazardous and/or radioactive substances, including an increasing population of spent nuclear fuel (SNF) canisters. The behavior of residual stresses generated as a result of irregular elastic–plastic deformation during processes such as welding is one of today's key issues to a full understanding of the aging mechanisms that may compromise the confinement boundary. Whether such processes and any subsequent weld repairs, not subjected to post-weld heat treatment, would negatively affect the initial material by introducing through-thickness tensile stresses remains an open question. Here we report the first residual stress measurements using neutron diffraction on the welded joints of a SNF canister. We found significant tensile residual stresses in the as welded sample, indicating that initiation and through-thickness growth of cracks may be possible. Following repair, we observed a stress redistribution and introduction of beneficial compressive stresses. We anticipate our results will improve understanding of confinement susceptibility to aging and guide improvements in repair techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Experimental investigation of the dependence of void nucleation and growth on initial microstructure in high-purity titanium under tension

An experimental investigation of failure mechanisms in relation to the initial microstructure in high-purity titanium samples is presented. The initial microstructure of the specimens was measured in 3D using diffraction-contrast tomography (DCT). Ex-situ X-ray computed tomography (XCT) was used to visualize voids in specimens at various levels of deformation attained by interrupted tensile testing. Electron backscatter diffraction (EBSD) mapping was used to characterize the deformed microstructures per specimen. The investigation showed that the location of failures was unrelated to the formation of the first voids, but rather the nucleation and growth of cracks were from heavily deformed surface regions. The areas surrounding the failure-causing cracks had the highest propensity for void development of any area in the specimen. This facilitated crack propagation through the specimen via “linking up”. The failure of the specimens by microvoid coalescence was bolstered by “dimpled” fracture surfaces. Paint composed of gallium embedded in rubber was used to track the displacement of points along the loading direction of the specimens, to relate the location of failure to the material's initial microstructure. However, the correlation proved difficult, due to complex microstructural evolution involving voids, grain fragmentations, and profuse twinning. Nevertheless, it was shown that necking occurred near the largest grain in the gauge section of the specimens. This is likely caused by the decrease in strength of larger grains, causing strain to concentrate in their vicinity. Here, a comprehensive picture of the failure processes in high-purity titanium under axial loading is presented and discussed in the paper.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A self-healing plastic ceramic electrolyte by an aprotic dynamic polymer network for lithium metal batteries

Abstract Oxide ceramic electrolytes (OCEs) have great potential for solid-state lithium metal (Li 0 ) battery applications because, in theory, their high elastic modulus provides better resistance to Li 0 dendrite growth. However, in practice, OCEs can hardly survive critical current densities higher than 1 mA/cm 2 . Key issues that contribute to the breakdown of OCEs include Li 0 penetration promoted by grain boundaries (GBs), uncontrolled side reactions at electrode-OCE interfaces, and, equally importantly, defects evolution (e.g., void growth and crack propagation) that leads to local current concentration and mechanical failure inside and on OCEs. Here, taking advantage of a dynamically crosslinked aprotic polymer with non-covalent –CH 3 ⋯CF 3 bonds, we developed a plastic ceramic electrolyte (PCE) by hybridizing the polymer framework with ionically conductive ceramics. Using in-situ synchrotron X-ray technique and Cryogenic transmission electron microscopy (Cryo-TEM), we uncover that the PCE exhibits self-healing/repairing capability through a two-step dynamic defects removal mechanism. This significantly suppresses the generation of hotspots for Li 0 penetration and chemomechanical degradations, resulting in durability beyond 2000 hours in Li 0 -Li 0 cells at 1 mA/cm 2 . Furthermore, by introducing a polyacrylate buffer layer between PCE and Li 0 -anode, long cycle life >3600 cycles was achieved when paired with a 4.2 V zero-strain cathode, all under near-zero stack pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The effect of differential mineral shrinkage on crack formation and network geometry

Rock, concrete, and other engineered materials are often composed of several minerals that change volumetrically in response to variations in the moisture content of the local environment. Such differential shrinkage is caused by varying shrinkage rates between mineral compositions during dehydration. Using both 3D X-ray imaging of geo-architected samples and peridynamic (PD) numerical simulations, we show that the spatial distribution of the clay affects the crack network geometry with distributed clay particles yielding the most complex crack networks and percent damage (99.56%), along with a 60% reduction in material strength. We also demonstrate that crack formation, growth, coalescence, and distribution during dehydration, are controlled by the differential shrinkage rates between a highly shrinkable clay and a homogeneous mortar matrix. Sensitivity tests performed with the PD models show a clay shrinkage parameter of 0.4 yields considerable damage, and reductions in the parameter can result in a significant reduction in fracturing and an increase in material strength. Additionally, isolated clay inclusions induced localized fracturing predominantly due to debonding between the clay and matrix. These insights indicate differential shrinkage is a source of potential failure in natural and engineered barriers used to sequester anthropogenic waste.

58 GEOSCIENCES↗
DOE OSTI2021

Self-Healing Ceramics and Mechanical Metamaterials

We performed large scale molecular dynamics (MD) simulations and reactive & quantum molecular dynamics simulations to investigate: (1) faceting, grain growth, and crack healing in ceramics; (2) stress-release mechanism and healing in fibers; and (3) mechanical properties of two-dimensional metamaterials. We also designed highly accurate interatomic potentials and forces using artificial neural networks (ANN) and first-principles molecular dynamics simulation data for use in our MD and reactive MD simulations. We demonstrated the efficacy of modeling quantum materials atomistic simulation data using unsupervised deep learning approaches on a quantum computer. These achievements are elaborated in the following sections.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Fitness-for-Service Analysis of Reactor Components under Flexible Load-Following Operating Conditions

Conventional power-generation plants, including nuclear plants, have been traditionally designed to provide a steady baseload energy capacity, optimizing output efficiency while minimizing variable costs. However, the growing adoption of large-scale renewable energy-generation systems, which rely on intermittent sources such as solar and wind, has introduced more variability into the energy supply in interconnected electricity grids. As a result, the next generation of power plants needs to operate in what is known as the load-following mode, requiring flexible adjustments in electricity production to align with the energy demand on the grid. This transition from the steady baseload operation to load-following operating conditions can significantly increase the number of times various plant components are exposed to transient stresses. This increased thermo-mechanical cycling can lead to accelerated material degradation, thereby elevating the risk of premature failure of a component. It becomes imperative to conduct a comprehensive analysis of fatigue, creep-fatigue, and stress corrosion cracking life, to assess the resilience of the various engineering components under these flexible load-following operating conditions. This study aims to develop a comprehensive numerical model of a light-water reactor pressure vessel (RPV) to investigate its degradation under various operating scenarios. This coupled thermo-mechanical finite element analysis evaluated the stress response of the RPV caused by considering fluctuations in thermal and mechanical loads caused by the varying pressure and temperature occurring during the load-following operation. Critical locations on the RPV are subsequently identified based on the stress response. The stress intensity factors for the postulated flaws at those locations are then calculated, followed by an evaluation of the reactor's life in accordance with the ASME Boiler and Pressure Vessel Code Section XI. This comprehensive life assessment covers a number of transients expected during the flexible load-following operation, providing invaluable insights into the RPV's structural integrity. Moreover, the development methodology can be adapted to other reactor components, as well as components of conventional power stations that are affected by varying operating conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Direct observation of strain-enhanced hydrogen segregation and failure at high-angle grain boundaries in nickel

Understanding the mechanisms underlying hydrogen embrittlement remains difficult, even in single-element metals. Both microstructure and stress state influence hydrogen distribution in metals and alloys, which impacts deformation and failure. Here, in this work, we use in-situ Kelvin probe force microscopy (KPFM) to monitor the hydrogen distribution in pure nickel over time at 1.1 % and 3.5 % strain. The sample strained to 3.5 % results in preferential hydrogen segregation to high-angle grain boundaries whereas the sample strained to 1.1 % does not exhibit preferential hydrogen segregation. Optical digital image correlation (DIC) shows that hydrogen charging results in both localized and reduced strains during tensile testing of a notched sample. Later stages of deformation and failure (e.g. microcracking) are studied by using in-situ transmission X-ray microscopy (TXM). TXM reveals nanoscale structural changes to a propagating crack in a hydrogen environment. Localized void growth and secondary cracking occur at grain boundaries near the primary crack front. Correlative electron backscattering diffraction (EBSD) is used to relate the cracking at grain boundaries to the hydrogen segregation observed in KPFM. These findings are unified in a proposed hydrogen embrittlement mechanism that describes the interaction of hydrogen with grain boundaries, and the role of grain boundaries in hydrogen embrittlement.

Grain boundary fracture↗
DOE OSTI2023

Dynamic fracture processes in hydrogen embrittled iron

Mechanistic understanding of hydrogen embrittlement is critical to the transport and storage of hydrogen as a sustainable fuel. Experimental observation of dynamic fracture processes in hydrogen environments has been challenging. Here, in-situ transmission X-ray microscopy is used to image polycrystalline iron foils that are concurrently strained and electrochemically charged with hydrogen. Using this technique, voids and microcracks down to ∼30 nm in size are identified at or near the crack tip and tracked as strain is increased. We observe both hydrogen-induced transgranular failure and hydrogen-induced intergranular failure with distinct fracture processes. We find that transgranular fracture occurs through the formation of sharp branched structures at the main crack tip that are reminiscent of slip band formation. This is followed by void growth and coalescence, and interaction with secondary cracks that lead to propagation of the main crack. Intergranular fracture is found to occur through void coalescence along grain boundaries, along with significant secondary cracking near the crack tip. The crack growth rate is greater for void-mediated intergranular failure than for slip-mediated transgranular failure. Additionally, the removal of hydrogen results in recovered ductility for a crack initially propagated under hydrogen charging.

36 MATERIALS SCIENCE↗
DOE OSTI2022

In-situ imaging of flexure-induced fracture in tape-laminate composites using high-resolution X-ray computed tomography

Here, this study presents development of an in-situ flexure test for imaging progressive inter- and intralaminar fracture in tape-laminate composites using X-ray computed tomography (CT). The intent of this test is to provide detailed experimental observations of ply-level damage that can be used to validate existing, and develop new, progressive damage analysis (PDA) tools. The test consists of a vertically mounted specimen which is flexed using two eccentric compressive loads using an in-situ uniaxial load stage. The flexure specimen contains a starter notch mid-span which promotes initiation of composite failure within the X-ray field of view. Specimens with two different laminate stacking sequences were tested, imaged, analyzed. For a quasi-isotropic laminate with large angle changes between adjacent plies, there was near simultaneous growth of transverse cracks and delaminations below the midplane of the laminate. For a laminate with small angles between adjacent plies, there was extensive formation of transverse crack networks which penetrated the laminate thickness without delamination growth. In addition to imaging fracture, the X-ray CT data from both specimen types were used to quantify the variability in thickness and analyze the local orientation of individual plies. Overall, the proposed test and the image-data analysis methodology provided an important insight into the fracture processes in tape laminates and highlights the inherent ply-level geometrical variabilities that should be accounted for in PDA simulations.

42 ENGINEERING↗
DOE OSTI2025

Irradiation Testing of Ultrasonic Transducers

Ultrasonic technologies offer the potential for high accuracy and resolution in-pile measurement of numerous parameters, including geometry changes, temperature, crack initiation and growth, gas pressure and composition, and microstructural changes. Many Department of Energy-Office of Nuclear Energy (DOE-NE) programs are exploring the use of ultrasonic technologies to provide enhanced sensors for in-pile instrumentation during irradiation testing. For example, the ability of single, small diameter ultrasonic thermometers (UTs) to provide a temperature profile in candidate metallic and oxide fuel would provide much needed data for validating new fuel performance models. Other efforts include an ultrasonic technique to detect morphology changes (such as crack initiation and growth) and acoustic techniques to evaluate fission gas composition and pressure. These efforts are limited by the lack of existing knowledge of ultrasonic transducer material survivability under irradiation conditions. To address this need, the Pennsylvania State University (PSU) was awarded an Advanced Test Reactor National Scientific User Facility (ATR NSUF) project to evaluate promising magnetostrictive and piezoelectric transducer performance in the Massachusetts Institute of Technology Research Reactor (MITR) up to a fast fluence of at least 1021 n/cm2 (E> 0.1 MeV). This test will be an instrumented lead test; and real-time transducer performance data will be collected along with temperature and neutron and gamma flux data. By characterizing magnetostrictive and piezoelectric transducer survivability during irradiation, test results will enable the development of novel radiation tolerant ultrasonic sensors for use in Material and Test Reactors (MTRs). The current work bridges the gap between proven out-of-pile ultrasonic techniques and in-pile deployment of ultrasonic sensors by acquiring the data necessary to demonstrate the performance of ultrasonic transducers

Daw, J.↗
DOE OSTI2023

Multiscale numerical investigation of ratchet growth damage effects in PBX 9502

This paper presents results of numerical experiments conducted on the high explosive PBX 9502 to investigate how recently observed grain-scale damage mechanisms of ratchet growth affect uniaxial compression measurements. Simulations are multiscale in the sense of directly resolving grains, pores, cracks, and grain-interfaces based upon scanning electron microscope (SEM) images of damaged and undamaged samples. The combined finite-discrete element method (FDEM) is utilized to resolve both grain-scale microfracture and elastoplastic deformation of solid grains. Pristine (undamaged) and damaged microstructures are compared in simulation of unconfined compression tests of the same material from the literature. Here, the simulation results show the observed microscale mechanisms of damage, specifically microfracture predominantly around and sometimes through grains and crack-associated pore growth, can well-explain the effective degradation of strength and stiffness observed in the laboratory measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Non-planar growth of high Al-mole-fraction AlGaN on patterned GaN platforms for mitigating strain-induced cracks beyond the critical layer thickness

Non-planar growth of Al x Ga 1-x N epitaxial layers with an average alloy composition up to Al-mole-fraction of x ~ 0.21 was performed on patterned c-plane GaN on (0001) sapphire substrates with stripe-shaped mesa structures. This approach successfully realized the growth of crack-free AlGaN layers on the top of mesas with layer thicknesses greater than the expected critical layer thickness by relaxing the in-plane stress on the top of the mesa. The effectiveness of the relaxation strongly depends on the width and depth of the stripe mesa. In conclusion, the relaxation of in-plane stress and resultant suppression of cracks in AlGaN layer are qualitatively discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Meso-scale modelling of compressive fracture in concrete with irregularly shaped aggregates

This paper presents a meso-scale modelling framework to investigate the fracture process in concrete subjected to uniaxial and biaxial compression accounting for its mesostructural characteristics. 3D mesostructure of concrete consisting of coarse aggregates, mortar and interfacial transition zone between them was developed using an in-house code based on the Voronoi tessellation and splining method, which enables to generate the realistic-look aggregates with controllable structural features such as content, location, size and shape. Based on the generated 3D mesostructure, the concrete damage plasticity approach was employed to simulate the compressive fracture behaviour of concrete in terms of crack morphology and stress-strain response against the shape parameters of aggregate. Results indicate that the shape of aggregate has a negligible effect on compressive strength of concrete, which is highly associated with the random location and size distribution of aggregate. The aggregate irregularity has a significant influence on crack initiation and growth of concrete.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Damage and Failure in a Statistical Crack Model

In this paper I will take a close look at a statistical crack model (SCM) as is used in engineering computer codes to simulate fracture at high strain rates. My general goal is to understand the macroscopic behavior effected by the microphysical processes incorporated into an SCM. More specifically, I will assess the importance of including local interactions between cracks into the growth laws of an SCM. My strategy will be to construct a numerical laboratory that represents a single computational cell containing a realization of a statistical distribution of cracks. The cracks will evolve by the microphysical models of the SCM, leading to quantifiable damage and failure of the computational cell. I will use the numerical data generated by randomly generated ensembles of the fracture process to establish scaling laws that will modify and simplify the implementation of the SCM into large scale engineering codes.

42 ENGINEERING↗
DOE OSTI2025

Assessment of critical flaw sizes and crack driving forces during additive manufacturing of metallic materials

Additive manufacturing (AM) of complex engineering components is often plagued by a high susceptibility to cracking, particularly in high-strength metallic materials. While alloy design efforts have made progress in mitigating solidification defects, there remains a need for mechanistic guidelines to predict susceptibility to solid-state cracking. To address this gap, driving forces for the growth of melt pool cracks are calculated across a wide range of alloys using an efficient computational framework. Calculations are coupled with rapid single track laser experiments to elucidate trends in cracking from laser melting. The analyses conducted here highlight the important role of material properties in susceptibility to cracking, notably fracture toughness and elastic modulus. An important finding is that residual stresses that are limited in magnitude to the yield stress of the material are likely insufficient to drive cracking during cooling. Furthermore, the implications of these results are discussed in the context of alloy design for AM and residual stress accumulation during AM.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Role of Material Condition in Precursor Corrosion Damage and Stress Corrosion Crack Initiation Behavior of Alloy 600 in PWR Primary Water

Stress corrosion crack (SCC) initiation testing has been performed on a 15% cold-worked UNS N06600 (Alloy 600) heat in the mill-annealed (MA), solution annealed (SA), and thermally treated (TT) conditions to assess the role of grain boundary (GB) carbides on stress-assisted intergranular attack (IGA) and short crack nucleation and growth. The SCC initiation tests were conducted at constant load equivalent to materials yield stress in 360oC simulated PWR primary water with dissolved hydrogen at the Ni/NiO stability line. Results revealed the highest SCC initiation susceptibility in the Alloy 600 MA material followed by the TT and SA materials, suggesting the GB carbide distribution did not have a controlling effect on SCC initiation resistance. Quantitative assessments were conducted on IGA and short cracks to help understand this phenomenon and the role of GB carbides on precursor damage development that lead to differences in macroscopic SCC initiation behavior are discussed.

Zhai, Ziqing↗
DOE OSTI2022

Intense cyclic heating effects on thermo-fracture and thermal shock of solid tungsten and open-cell tungsten foam

Here we investigate here the effects of transient (cyclic) arc-jet plasma and laser heating on fracture behavior of W-foam and solid tungsten. The two key parameters that control the foam thermomechanical response are its density and mean cell size expressed in Pores Per Inch (PPI). Tungsten foam samples were fabricated with Chemical Vapor Deposition (CVD) with variety of PPI and relative density. These were tested under two types of qualitatively different conditions: (1) high-enthalpy arc-jet, and (2) high-power cyclic laser heating. None of the foam samples showed macroscopic through-thickness cracks. However, distributed micro-cracks were observed on ligaments and their triple junctions. Under the same loading conditions, W-foam and solid tungsten showed similar crack network pattern and characteristic length-scale. However, Crack Opening Displacement (COD) was twice as large in solid W as compared to W-foam. Foam samples that have been previously exposed to a low-pressure helium plasma showed significant changes in their surface forming nano-texture fuzz which was removed by subsequent testing in the arc-jet. Extensive fracture and re-crystallization were observed in the thin solid W disk that was fully-constrained from expansion. Thicker and fully-constrained solid W disks did not display recrystallization, grain growth, and extensive cracking. However, thicker disks that were free to expand showed some recrystallization and extensive through-thickness cracks due to less effective cooling and thus higher temperatures. Laser beam testing showed no visible damage formation at 0.19 GW/m 2 and 0.38 GW/m 2 for both low-density (23%) and high-density (43%) foams at low pulses (100-1000). Micro-cracks were observed after 10,000 pulses at 0.19 GW/m 2 in both foams, and in low-density foam after 100,000 at 0.38 GW/m 2 . The nature of thermomechanical damage in W-foam exposed to extreme power (GW/m 2 ) short-duration laser pulses was found to be qualitatively similar to that of high power (MW/m 2 ) long-duration arc-jet.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dual X-ray computed tomography-aided classification of melt pool boundaries and flaws in crept additively manufactured parts

In metal additive manufacturing (AM), understanding the process-structure-performance relationships requires a combination of multi-scale characterization techniques that allows for the measurement of the melt pool shape and boundary and classifying various defects and flaws in the AM parts. Such approaches can be destructive, only 2D in nature, or have a small field of view and can be complex to co-register and analyze. Here, in this work, we present a non-destructive 3D inspection technique that employs dual-energy X-ray computed tomography (XCT) along with a model-based iterative reconstruction (MBIR) and a new segmentation algorithm. The proposed approach and algorithm are not only capable of classifying and quantifying flaws such as pores, cracks, and inclusions, but they also allow for the extraction of microstructural features such as melt pool boundaries (MPB) and melt pool regions (MPR), that can help understand process-structure-performance relationships for alloys under study. As an exemplar application, we employed the method for characterization of an additively manufactured aluminum alloy crept under tensile stress at 300 °C for 1064 h. Our results demonstrate high quality segmentation and classification of various flaws and MPB and MPR, for the first time, using 3D X-ray CT inspection. The delineated MPB and MPR in the crept samples reveal the preferential growth paths of cracks that formed during creep deformation. The technique was used for successfully quantifying the characteristics (number of defects, their density, volume fraction, etc.) of the manufacturing-induced pores and creep-induced cracks, which is necessary to better understand the creep failure mechanisms of the material.

36 MATERIALS SCIENCE↗