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At least 181 records · Page 10

Coupled phase field damage and crystal plasticity analysis of intragranular fracture: The role of crystallographic orientation and voids

Damage evolution in engineering metal alloys at the grain scale exhibits significant microstructural heterogeneity and anisotropy. These heterogeneities create local hotspots for stress and strain localization, leading to void nucleation. Crystal orientation influences the active slip systems around voids, affecting lattice rotation and potentially forming discontinuities. At low triaxiality, voids may change shape due to lower stress, rotation, elongation, and coalescence. At high triaxiality, the correlation between crystal orientation and void growth rate becomes stronger, resembling the behavior observed in isolated single crystals. Therefore, understanding the effects of crystal orientation, heterogeneous strain, and defect evolution is crucial for single crystal fracture characterization. Here, in this work, a coupled phase-field damage (PFD) and crystal plasticity (CP) model is implemented within a finite element framework to analyze crystal deformation and failure. The CP method employs a dislocation density-based constitutive model, while intragranular failure is modeled using an anisotropic PFD method. The PFD model considers both the stored energy due to elastic stretching and the energy release due to defect formation and crack formation. A single crystal Al2219 with an intracrystalline spherical void is chosen to analyze fracture. The study finds that fracture propagation is strongly correlated with crystal orientations. This coupled CP-PFD model provides accurate failure prediction in crystalline materials by incorporating the effects of crystal orientations and existing voids. This study demonstrates how the local microstructure and defects influence plastic deformation and failure mechanisms in metal alloys.

Aluminum alloy↗

Quantifying and modeling of stress-driven short-circuits in lithium-ion batteries in electrified vehicles

Despite the huge expansion of electric vehicle sales in the market, customers are discouraged by the possible catastrophic consequences brought by the safety issues of lithium-ion batteries, such as internal short circuits, especially in crash scenarios. Herein, we reveal the quantitative relationship between the deformations of the battery and the internal short circuit. By in situ and ex situ observations and post mortem characterization of the component materials, we quantify the stress-driven internal short circuit and failure behavior of the component material. With the aid of a validated numerical computational model as well as the in situ characterization of the global-field temperature, we successfully identify the minor and major short circuits of the cells upon various mechanical abusive loadings. Finally, we establish the internal short circuit criteria for typical formats of batteries. Furthermore, this discovery also provides a fundamental understanding of both internal and external stress-driven short circuits in a much broader context.

25 ENERGY STORAGE↗

Heterogeneous solute segregation suppresses strain localization in nanocrystalline Ag-Ni alloys

Solute segregation to individual grain boundaries is used by design to produce strong and stable nanocrystalline metallic alloys. Grain-boundary segregation, however, is known to cause adverse embrittlement effects from a strain-localization failure mechanism that imposes significant material limitations for structural applications. Here, using atomistic simulations, it is discovered that heterogeneous Ni segregation in nanocrystalline Ni-mixed Ag alloys dramatically shuts down localized shear bands during plastic deformation, while simultaneously increasing the tensile strength. Nanocrystalline Cu-mixed Ag metals are predicted to exhibit standard homogeneous Cu segregation and a tensile strength that saturates above a solute concentration of 8 at.% due to glass-like shear localization induced by grain boundaries. By contrast, it is found that heterogeneous Ni segregation in nanocrystalline Ag-Ni alloys forms solute-rich clusters along interfaces leading to strain delocalization at high strain and continuous strengthening at high solute concentrations up to 15 at.%. As a result, this study reveals the importance of heterogeneous versus homogeneous segregation behaviors on strain localization and points to a fundamentally new strategy to design failure-resistant nanostructured materials through grain boundary segregation engineering.

36 MATERIALS SCIENCE↗

Purification of Lithium-Ion Battery Black Mass through Tailored Alkaline Corrosion

Obtaining high-purity material outputs is crucial to the viability of novel process aimed at direct recycling of lithium-ion batteries. Metallic impurities in recycled cathodes have been shown to inhibit performance, thereby threatening mainstream acceptance of recycled battery products. Thus, shredded black mass (BM) must be purified to remove metallic contaminants, and specifically Al and Cu originating from the electrode current collectors. We herein explore a process to ionize solid copper and aluminum to ionic form based on tailored alkaline chemistry, without incurring damage to the target cathode material (Li(NixMnyCo1-x-y)O2; NMC). Al and Cu corrosion may be enhanced through the addition of chloride salt, elevated temperatures, and the use of ultrasonication - all of which disrupt the formation of passivating films on the metallic surface, and thereby increase corrosion rate. We demonstrate optimized parameters for Al and Cu corrosion both from a kinetic and overall process cost perspective. Further, we analyze the impact of these conditions on the structural (XRD, SEM), chemical (EDS, ICP), and electrochemical (impedance, cycling, dQ/dV) properties of NMC, and suggest that the present purification method does not significantly disrupt NMC performance. Finally, we present preliminary results from a promising bench-scale demonstration of this purification process applied to a simulated black mass.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗

Melt Pool and Heat Treatment Optimization for the Fabrication of High-Strength and High-Toughness Additively Manufactured 4340 Steel

Additively manufactured (AM) components offer superior design flexibility compared to their conventionally manufactured counterparts, and optimizing processing parameters is key to achieving high-quality depositions with desirable and predictable mechanical properties. This study was focused on 4340 steel fabricated using laser powder bed fusion (LPBF), and 42 laser power and scan speed combinations have been systematically investigated to determine an optimized melt pool geometry that would ensure fully-dense parts. The AM material was compared with a wrought 4340 equivalent and studied in two customized heat treated conditions, optimized for strength and toughness, respectively. The microstructures of the as-fabricated and heat treated AM and wrought materials were characterized to assess differences introduced by the layer-by-layer fabrication process and subsequent heat treatment. Tensile properties of both materials were also evaluated and demonstrate that the AM materials offer equal or superior properties compared to the wrought equivalents. Differences in fracture surface morphologies indicate the distinct failure mechanisms associated with the materials’ characteristic microstructures, and the role of inclusions in the failures was studied to elucidate these differences. Complementary to the experimental investigations, the dataset was leveraged to make recommendations for future design of experiments to optimize AM build parameters in other material systems. A statistical Monte Carlo analysis was used to predict the interpolation error produced using reduced datasets and to enable informed processing parameters selection. These findings are discussed to make recommendations for the use of AM materials for high-integrity structural applications.

36 MATERIALS SCIENCE↗

The damage Mechanics challenge Results: Participant predictions compared with experiment

In this article, We present results from a recent exercise where participating organizations were asked to provide model-based blind predictions of damage evolution in 3D-printed geomaterial analogue test articles. Participants were provided with a range of data characterizing both the undamaged state (e.g., ultrasonic measurements) and damage evolution (e.g., 3-point bending, unconfined compression, and Brazilian testing) of the material. In this paper, we focus on comparisons between the participants’ predictions and the previously secret challenge problem experimental observations. We present valuable lessons learned for the application of numerical methods to deformation and failure in brittle-ductile materials. The exercise also enables us to identify which specific types of calibration data were of most utility to the participants in developing their predictions. Further, we identify additional data that would have been useful for participants to improve the confidence of their predictions. Consequently, this work improves our understanding of how to better characterize a material to enable more accurate prediction of damage and failure propagation in natural and engineered brittle-ductile materials.

36 MATERIALS SCIENCE↗

Adoption of image-driven machine learning for microstructure characterization and materials design: A Perspective

Microstructure characterization enables the development of structure-processing-property relationships critical to several research areas within the broad field of materials science, from alloy design to the assessment of corrosion resistance, and failure analysis. Conventional approaches to material characterization have relied on either qualitative inference by the human ex-pert or software applications that can extract high-level features from images, such as boundary segmentation, average grain diameter, etc. Such approaches rely heavily on subject matter expert user intervention and knowledge of what phases or more generally, what microstructural features, are of interest. The recent surge in the adoption of machine learning techniques to address problems in materials engineering has brought with it an increased interest and application of Image Driven Machine Learning (IDML) approaches. In this work, we review the applications of IDML to the field of materials characterization. A canonical hierarchy of stages is defined, which when put sequentially together completes an IDML study: problem definition, dataset building, model selection and training, model evaluation, and integration with existing instrumentation or simulation workflow. The studies reviewed in this work are analyzed from the perspective of each of these stages. Such a review permits agranular assessment of the field, for example the impact of IDML on materials characterization at the nanoscale, the size of a typical dataset required to train a semantic segmentation model on electron microscopy images, ubiquitousness of transfer learning in the domain, etc. Finally, we discuss the importance of interpretability and explainability in the field of IDML for materials characterization, and provide an overview of two emerging techniques in the field: semantic segmentation and generative adversarial networks.

Baskaran, Arun↗

Localized Strain Analysis of Ce- and Mg-Treated Cast Iron under Uniaxial Compression

Cast iron exhibits a wide range of mechanical properties, depending on its microstructural features. The microstructure of cast iron consists of several microconstituents with different elastic-plastic behavior, making the strain non-uniform across the bulk material. To understand the individual effects of these microconstituents on the overall mechanical behavior, local strain analysis using digital image correlation analysis was carried out. Samples with two different compositions (varying cerium, magnesium and silicon) were processed at different solidification velocities in a Bridgman furnace. Sections of the directionally solidified samples were loaded under uniaxial compression to measure global and local strain behavior. Despite the variability of the microstructure, the stress–strain curves obtained by digital image correlation (DIC) were found to react in a well-controlled way to changes in solidification velocity. It was observed that high-strain failure (greater than 15%) was accompanied by local straining of the softer ferritic phase, but during low-strain failure, local straining was not prominent. Higher nodularities, due to higher solidification velocities, raised the compressive strength without affecting the toughness significantly. Higher percentages of carbides led to higher compressive strengths with corresponding losses in ductility. The continuity of the matrix was also found to play an important role in the behavior during compression.

ductile failure↗

Initial development of an RIA envelope for dispersed nuclear fuel

A reactivity insertion accident (RIA) is a design basis accident in which reactivity is rapidly injected as a result of a control rod ejection or blade drop scenario. The resultant power increase can result in fuel rod failure and subsequent release of radioactive material into the reactor’s primary system. For light water reactors, failure under RIAs is typically a result of fuel melt, pellet-cladding interaction, or rod over-pressurization. Fuel melt occurs when the fuel system is unable to transport heat out of the fuel system. Pellet-cladding interaction occurs when an aggressive fuel pellet expansion pushes on an embrittled cladding beyond its strain limit. Rod over-pressurization occurs when a fuel rod exceeds the critical heat flux and departs from nucleate boiling, causing the rod internal pressure to rapidly increase, exceeding the systems pressure, and balloon until it bursts. To prevent failure, regulators have developed safety requirements that limit the injected enthalpy based on the state of the fuel system. However, dispersed fuel could enable the removal or relaxation of regulator-imposed safety criteria. Dispersed fuel embeds fuel particles in a highly conductive metal. Dispersed particles can have a particle radius of 1 µm to greater than 100 µm. Traditional fuel systems are plagued by poor thermal conductivity, especially at higher burnups, thus reducing the ability of the fuel system to respond to an RIA. However, dispersed fuel could improve the ability of the fuel system to transport injected energy away from the fissile material and into the coolant more efficiently. Furthermore, dispersing the fuel particles mitigates hard contact that typically occurs in the traditional zirconium-uranium dioxide fuel system, thus removing pellet-cladding mechanical interaction as a potential failure mechanism. This paper evaluates fuel particles dispersed in a metal matrix using the BISON fuel performance code to develop an initial failure threshold based on melt temperature of the fuel particle and/or cladding material as a function of fission density for beginning-of-life and end-of-life conditions. BISON results show that (1) reducing the size of the particles allows fission density to increase as a function of time, (2) particle-to-particle proximity must be considered to evaluate the limiting conditions, and (3) improving the fuel particle thermal conductivity improves thermal performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterization of Creep-fatigue Tested A709 with Precipitation Treatment

The fatigue and creep-fatigue microstructures of the solution-annealed (SA) and the precipitation-treated (PT) Alloy 709 in the ESR1150 condition were studied. It was discovered that while high densities of new precipitates were formed during the tests in the ESR1150-SA material, the precipitates in the ESR1150-PT after the tests resembled of those in the untested PT condition with new features associated with the additional time spent at high temperatures. The observations explained the higher peak stresses and the lower cycles-to-failure in the SA material compared to those in the PT material during the cyclic deformations.

25 ENERGY STORAGE↗

A study of adhesive bonding in metal–metal, metal–CFRP, and CFRP–CFRP material combinations under shear deformation: Fracture morphologies and damage mechanisms

Safe design of adhesive joining in multi-materials in engineered structures requires the accumulation of numerous experimental data on the failure behavior of various adhesively-bonded material combinations under different loading conditions. The deep understanding of mechanical performance, fracturing morphologies, and main damage mechanisms is also quintessential for accelerating the development of proper physics-based and multi-scale models for assisting the design. Towards this goal, this work presents a comprehensive characterization of the failure behavior of adhesively-bonded metal–metal, metal–CFRP, and CFRP–CFRP material combinations under global shear deformation via single lap shear testing. Thanks to a synergistic combination of measurement methods by using Digital Imaging Correlation (DIC) and 3D optical profilometry, adhesive features on the adherend after failure were quantified and the main progressive damage mechanisms were identified. The characterization performed in this work provides quantitative data that contributes to a better understanding of shear failure in adhesive bonding across different bi-material combinations. Finally, the obtained results have practical implications, including the potential to enhance adhesive bonding design, identify failure causes in adhesive joints, and develop or validate computational models capable of capturing the observed behavior in various adhesively-bonded materials under global shear deformation.

36 MATERIALS SCIENCE↗

A model to assess Zircaloy’s mechanical property changes following a transient beyond critical heat flux

Maintaining the integrity of nuclear fuel rods is essential for ensuring public health and safety in nuclear power generation. During reactor operation, this integrity is confirmed by demonstrating compliance with established regulatory acceptance criteria. For moderate-frequency events, such as limiting transients and anticipated operational occurrences (AOOs), the current fuel integrity criterion is based on preventing boiling transition. This criterion assumes that prevention of boiling transition will prevent excessive cladding heating and, thus, fuel failure during normal operations. While conservative, this approach places significant constraints on core design, fuel cycle economics, and a plant’s ability to perform major power uprates, leading to suboptimal fuel utilization and inefficient carbon-free energy production. A more efficient approach could be achieved by revising the failure criterion to a material-specific limit rather than strictly preventing the boiling transition, since boiling transition per se is not a cause of fuel cladding failure. Here, as a result, a new licensing framework based on material properties, termed time-at-temperature (t@T), is needed. This approach would allow for brief periods of post–critical heat flux operation during an AOO without compromising safety. Implementing the t@T licensing strategy requires a robust technical foundation in material properties, which must be established through comprehensive data collection on both unirradiated and irradiated fuel and cladding materials. This foundation would enable the development of a safety basis that ensures safe operation while providing greater flexibility and efficiency for reactor operation. This paper documents a thorough review of the available data to establish a baseline knowledge that can inform the development of cladding mechanical models, as well as identify experimental data gaps that need to be addressed in future research. Machine learning and data informatics were utilized to extract the importance of parameters on the t@T parameter. Industry tools were used to perform baseline analyses to define the relevant transient conditions for data analysis. The subsequent review successfully identified applicable experimental data, as well as sufficient data to evaluate changes in cladding mechanical properties following an AOO transient. Rather than developing new models, this work coupled existing irradiation annealing and recrystallization models to calculate changes in hardness, yield stress, and ultimate tensile stress following an AOO event. The findings from this review were summarized to highlight the experimental data needs required to fill remaining gaps and support the development of future t@T licensing methodologies.

Cladding performance↗

Study on Foam Fracturing of Granite for the Development of Enhanced Geothermal Systems

Foam fracturing has been considered as a potential technical approach to address water concerns with hydraulic stimulation in the development of enhanced geothermal systems (EGS). This paper reports the recent progress of a project sponsored by the U.S. DOE GTO Waterless Stimulation Initiative. The project investigates the foam fracturing as an alternative approach to the hydraulic fracturing. The paper describes the development of foam fracturing testing system at Oak Ridge National Laboratory (ORNL). The system can be used to perform the hydraulic fracturing of rock-like materials with both water and foamed fluids under pressure to 6,000 psi (41.4 MPa). The system features the sections of foam generation and foam injection and has the capability of testing materials in both monotonic and cyclic injection modes.Experimental results of foam fracturing on Charcoal Black granite will be reported. Cylindrical granite specimens with a blind hole were studied along with water and nitrogen-gas-in-water foam as the fracturing fluids. The effects of fracturing fluids and injection modes on the breakdown pressure and failure responses of the material were examined. The observations from the experimental work and the implications to the EGS application will be presented and discussed.

Wang, Hong↗

Effect of non-uniform void distributions on the yielding of metals

High-throughput (several thousand) calculations have been carried out to investigate the yield behavior of porous materials with randomly distributed pores, porosity levels over four orders of magnitude and up to a hundred pores per simulation box. To this end, a Galerkin based fast Fourier transform (FFT) formulation was enhanced to deal with high phase contrast materials. In addition, GPU parallelization was employed in solving the governing equation for strain fluctuations using a Krylov iterative solver. Emphasis is laid on the conditions under which percolation of plastically non-deforming zones through the porous network emerge, a regime termed unhomogeneous yielding. By way of contrast, the regime where the plastic strain fluctuations (associated with the heterogeneous void-matrix aggregate) fall below the percolation threshold is defined as homogeneous yielding. Here, we find that nonuniform pore distributions only affect unhomogeneous yielding and have a universal softening effect. The extent of this distribution softening is analyzed as a function of porosity, cell size and number of realizations. Whether the uncovered universal distribution softening has direct implications on failure resistance of porous materials is discussed.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

The influence of pearlite fraction on the shock properties of ferrite–pearlite steel microstructures: Insight into the effect of second-phase particles

Here, the goal of this work is to investigate the effect of varying phase fractions on the overall spall strength and damage behavior of a material. Specifically, two plain carbon, ferrite–pearlite steels (1045 and A283) were subjected to spall recovery experiments to investigate the effect of pearlite fraction on spall strength and total damage. The A283 (20% pearlite) alloy exhibited a higher Hugoniot elastic limit and spall strength compared with 1045 (60% pearlite). Discontinuous and continuous yielding behaviors were observed at quasi-static and dynamic rates for A283 and 1045, respectively. The yielding behavior was connected to pearlite fraction and the prevalence of dislocation-emitting, ferrite/cementite interfaces. Postmortem characterization revealed cementite lamellae cracking within pearlite of 1045, suggesting that pearlite reduces spall strength by providing low-energy damage nucleation sites. The rate of damage growth and coalescence was similar between the two alloys; however, 1045 exhibited more continuous cracks than A283, which exhibited a greater prevalence of discrete voids.

36 MATERIALS SCIENCE↗

Dimensionless parameters to categorize the failure modes of ductile plate perforation

In this work, two dimensionless parameters were derived organically from impact mechanics equations to remove the need for empirical constants. These two dimensionless parameters effectively collapse the ballistic performance of ductile metal plates along two distinct loci, depending on the projectile geometry and the corresponding failure mode. Projectiles that initiate ductile hole enlargement via cavity expansion fall along a linear curve, while shear-plugging failure modes tend to fall along a cubic curve. Results were demonstrated for various projectiles of different calibers impacting aluminum and Ti-6Al-4V alloys, and further explored for more complex target combinations. The main advantage of the approach in this work is to drastically reduce the number of features for input into machine learning algorithms.

36 MATERIALS SCIENCE↗

Influence of weave architecture on mechanical response of SiC f -SiC m tubular composites

Due to their high resistance to radiation damage and elevated temperature, silicon carbide fiber-reinforced, silicon carbide matrix composites (SiC f -SiC m ) are identified as potential cladding structures for use in nuclear reactors. In this study, four composite architectures with varying ply numbers along the thickness direction and different biaxial or triaxial plain weave orientations at either 45° or 60°, were systematically evaluated under various stress states to assess the influence of weave architecture on mechanical performance. Experiments were conducted on SiC f -SiC m composite tubes under tensile hoop, axial compression, and rotating flexural loading to evaluate the mechanical response and investigate the failure modes using high-speed imaging and digital image correlation (DIC) techniques. It was found that for tensile hoop burst and flexural loading, the braiding angle had the most significant influence on the strength of the composite, whereas the effect of fiber angle was more limited for compression testing. Under axial compression a unique failure mode where a microcrack nucleates and grows only to a length equal to the thickness of a single yarn was identified. This crack growth behavior is reflected as periodic oscillations in the load-displacement response. For both axial and hoop loading, regardless of weave angle and number of plies, failure always initiated parallel to the tube axis in a single yarn and the cumulative interaction of these microcracks lead to either axial burst or fracture at an angle to the tube axis along a yarn. Furthermore, these results point to the importance of customizing the design of tube architecture for enhanced performance in specified nuclear applications.

36 MATERIALS SCIENCE↗

Correlation of Advanced Accelerated Stress Testing with Polyamide-Based Photovoltaic Backsheet Field-Failures

Cracking of polyamide (PA)-based photovoltaic (PV) backsheet materials has been widely reported for field-aged modules. Failure was not detected by conventional accelerated stress tests (ASTs), which lacked the necessary combination of stress factors and/or factor sequences. PA-based AAA backsheet cracking has since been reproduced through combined and sequential stress testing. Planar- and cross-sectional-optical microscopy as well as Fourier-transform Infrared Spectroscopy (FTIR), have been used to elucidate the mechanical and chemical changes which lead to failure of the backsheet. Field-aged backsheet samples demonstrating failure in various climates (including locations in China and Italy) are also analyzed. Through the analysis, a comparison is made between the different stress testing protocols and the field-aged samples to validate relevance of the advanced stress tests. It is shown that the changes induced through combined-accelerated stress testing (C-AST) were most representative of changes induced by the field, supporting the relevance of C-AST and providing validity for the test protocol.

14 SOLAR ENERGY↗