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At least 91 records · Page 5

Quantifying precursors to void nucleation and coalescence in aluminum

Ductile rupture is a common failure mode for engineering alloys. It is generally comprised of three mechanisms: void nucleation at secondary particles, void growth, and coalescence of voids. Conventional models for ductile rupture have limited precision for predicting macroscopic failure. This is partially because they have been corroborated using ex-situ observations of these three mechanisms and calibrated by macroscopic strain or stress metrics. In this study, in-situ high-energy X-ray characterization was conducted to correlate sites of void nucleation via particle cracking and sites of void growth with grain-scale metrics. Here it is shown that particle cracking is not predicated by elevated stress metrics, which disagrees with classical models. Instead, particle cracking tended to occur for the largest, least spherical particles. This trend persisted on the aggregate-scale and within individual neighborhoods around particles. Furthermore, an Eshelby analysis illuminated a statistically significant increase in maximum principal stress within a cracked particle, compared to an uncracked particle. In-situ observations also revealed two separate examples of intragranular void growth comprised of flat, crack-like features that grew showing alignment with slip systems of the highest resolved shear stress. Post-mortem fractography revealed a secondary population of dimples on these crack-like features, implying that void sheeting may be occurring during this crack-like void growth. Furthermore, these in-situ observations imply that classical models for void growth, that assume a homogenous medium, should be extended to account for the anisotropic grain-level behavior to correctly capture distinct features of void nucleation and growth.

Al-2219↗

Cohesive phase-field chemo-mechanical simulations of inter- and trans- granular fractures in polycrystalline NMC cathodes via image-based 3D reconstruction

The optimal design and durable utilization of lithium-ion batteries necessitates an objective modeling approach to understand fracture and failure mechanisms. This paper presents a comprehensive chemo-mechanical modeling study focused on elucidating fracture-induced damage and degradation phenomena in the polycrystalline Li $\mathcal{x}$ Ni 0.5 Mn 0.3 Co 0.2 O 2 (NMC532) cathode. An innovative approach that utilizes image-based reconstructed 3D geometry as finite element (FE) mesh input is employed to enhance the precision in capturing the convoluted architecture and morphological features. For accurately representing the intricate crack configurations within the polycrystalline system, we adopted the cohesive phase-field fracture (CPF) model. Through the integration of advanced image-based geometry reconstruction technique and the promising CPF modeling approach, lithium (de)intercalation induced crack evolution (e.g., nucleation, propagation, branching and diverse modes including inter-/trans-(intra-) granular patterns) and the resulting chemical degradation can be precisely captured, which is also compared and validated with numerical predictions using a continuum damage model. In particular, this model predicts fracture induced degradation under varying fracture properties of grain boundaries and charging rates; the conclusion that NMC particles comprised of larger grains are predicted to have less degradation than those with smaller grains can also be drawn. This comprehensive analysis provides valuable insights into the fracture and degradation within polycrystalline NMC cathodes.

25 ENERGY STORAGE↗

Doping Metallic Grain Boundaries to Control Atomic Structure and Damage Tolerance (Final Report)

The interfaces between crystals, known as grain boundaries, often act as sites for crack and void nucleation during plastic deformation of metallic materials. While it is known that interfacial character and structural state can greatly influence this damage nucleation process, the current level of control over such details is extremely limited. The objective of this project was to obtain a fundamental understanding of how metallic grain boundary structure can be controlled through intelligent doping, with the idea of inducing planned grain boundary phases or complexions. The effect of complexion structure on dislocation accommodation mechanisms was studied, to improve the field’s understanding of damage nucleation at interfaces. While mechanical damage was the primary focus, the project showed that amorphous complexions can also improve a material’s resistance to radiation damage, providing a single materials design concept that can address multiple important technological areas. This research used a combination of computational, experimental, and characterization techniques to isolate and understand the importance of nanoscale grain boundary structure and interfacial chemistry. The fundamental insights provided by this project enable the creation of advanced engineering metals with improved damage tolerance.

36 MATERIALS SCIENCE↗

Doping Metallic Grain Boundaries to Control Atomic Structure and Damage Tolerance

Grain boundaries often act as sites for crack and void nucleation during plastic deformation of metallic materials. While it is known that grain boundary character and structure can greatly influence this damage nucleation process, the current level of control over such details is limited. The objective of this project was to obtain a fundamental understanding of how metallic grain boundary structure can be controlled through intelligent doping, with the idea of inducing planned amorphous grain boundary phases or complexions. The effect of amorphous complexion structure on dislocation accommodation mechanisms was studied, to improve the field’s understanding of damage nucleation at a promising type of interface. Different microstructural descriptors were studied, as grain boundaries can have large variations and complexity of local structure, and influence the mechanical damage resistance of these features was tested. Nanocrystalline systems that contain amorphous grain boundary complexions were prioritized, as these have more extreme variations in interfacial structure and damage tolerance, with an emphasis on isolating the importance of complexion population (type, thickness, etc.), network topology, local structure, and local chemistry. This research used a combination of computational, experimental, and characterization techniques to isolate and understand the importance of nanoscale grain boundary structure and interfacial chemistry. Amorphous grain boundary complexions were found to clearly increase a material’s resistance to mechanical damage, with the local distribution of structural short-range order within the complexions found to be an important descriptor for damage and the proposed focus of future work in this area.

36 MATERIALS SCIENCE↗

Nanotomographic observation and statistical analysis of overcharging induced cracks in LiCoO 2 single crystalline particles

Particle fracture represents an important mode of battery electrode degradation. Extensive cracking occurs in the layered oxide cathodes of lithium-ion rechargeable batteries when they are charged beyond safe operational voltages. In this paper, we analyze the morphology and distribution of cracks in over 100 overcharged LiCoO 2 (LCO) single-crystalline particles imaged via X-ray nanotomography. Herein, we observe a strong particle size dependence in both nucleation and growth of cracks, with percentage of cracked particles, crack size, and crack surface area per unit volume all increasing significantly with particle volume. Increasing the cutoff voltage above 4.6V is found to trigger much more pronounced crack growth, which we attribute to the large misfit stress caused by the H1-3 to O1 phase transition. This study offers valuable statistical insights into the fracture behavior of layered oxide cathodes and reveals the importance of particle size control on electromechanical degradation of battery electrodes.

25 ENERGY STORAGE↗

Probing the Damage Recovery Mechanism in Irradiated Stainless Steels Using In-Situ Microcantilever Bending Test

Single crystalline microcantilevers are fabricated from the base metal and heat-affected zone (HAZ) of a laser welded, neutron irradiated austenitic stainless steel, for scanning electron microscope (SEM) in-situ bending. In the HAZ, cantilevers exhibit higher yield point and lower crack tip blunting displacement than in the base metal and unirradiated archive specimen. These results suggest that radiation-induced defects harden the base metal, whereas the HAZ exhibits annealing of defects leading to mechanical softening. Dislocation nucleation ahead of the crack tip is responsible for ductile blunting behavior and provides a pathway to mitigating helium-induced cracking during weld repairs of irradiated materials.

36 MATERIALS SCIENCE↗

Investigation of the plastic fracture of high-strength aluminum alloys

In a study of plastic fracture in five high-strength aluminum alloys (2014, 2024, 2124, 7075, and 7079), it has been shown that fracture toughness is affected primarily by the size and volume fraction of the larger (2 to 10 microms) second-phase particles. Certain of these particles crack at small plastic strains, nucleating voids which, with further plastic strain, coalesce to cause fracture. Not all second-phase particles crack at small plastic strains, and qualitative analysis of those which are primarily responsible for void nucleation shows that they contain iron or silicon or both. This result suggests that a reduction in the iron and silicon impurity content of the alloys should improve fracture toughness without loss of strength.

Van Stone, R. H.↗

A thermodynamically consistent finite strain phase field approach to ductile fracture considering multi-axial stress states

Phase field models for ductile fracture have gained significant attention in the last two decades due to their ability in implicitly tracking the nucleation and propagation of cracks. However, most crack phase field formulations for elastoplastic solids focus only on the effects of plastic deformation, and do not consider the different multi-axial stress states that may arise in practical designs. In this work, a thermodynamically consistent phase field approach coupled with finite strain plasticity, considering multi-axial stress states is presented. In order to account for the coupling between plasticity and stress states, the Stress-Weighted Ductile Fracture Model (SWDFM) is utilized. The SWDFM represents a criterion for predicting ductile crack initiation under both monotonic and cyclic loadings based on histories of an internal plastic variable, stress triaxiality, and the Lode angle parameter. The excellent performance of the SWDFM for predicting ductile crack initiation motivates for its incorporation into a phase field approach for predicting both crack initiation and propagation through degradation of the fracture toughness. Moreover, based on the second law of thermodynamics, exact requirements are imposed on the rate at which the fracture toughness can evolve. Here, a novel function for degrading the plastic yield surface during the evolution of damage is introduced. This function, in line with experimental observations, leads to an accumulation of plastic deformation in damaged regions of a solid, and avoids numerical instabilities arising from concentrations of large plastic deformations in severely damaged regions. For validating the proposed model, results of computational simulations are compared to data from selected tests considering different multi-axial stress states. Comparisons of the numerical results with data from laboratory experiments demonstrate the capabilities of the proposed framework.

42 ENGINEERING↗

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↗

Factors Affecting the Plasticity of Sodium Chloride, Lithium Fluoride, and Magnesium Oxide Single Crystals

A study was made of the relative magnitude of the effects of various factors on the ductility of single crystals of sodium chloride (NaCl), lithium fluoride (LiF), and magnesium oxide (MgO). Specimen treatments included water-polishing, varying cleavage rate, annealing, quenching, X-irradiation, surface coating, aging, and combinations of some of these treatments. The mechanical behavior of the crystals was studied in flexure and in compression, the latter study being performed at both constant strain rate and constant load. Etch-pit studies were carried out to provide some pertinent information on the results of pretreatment on the dislocation concentration and distribution in the vicinity of the surface. The load deformation curves for these ionic single crystals show an initial region of very low slope which proved to be due to anelastic deformation. The extent of initial anelastic deformation is modified by specimen pretreatment in a way that suggests that this deformation is the result of expansion of cleaved-in dislocation loops, which can contract on the removal of the stress. The effects of the various pretreatments on the load and deflection at fracture are in accord with the prediction one might make with regard to their effect on the nucleation of fatal surface cracks. For NaCl, increases in ductility are always accompanied by increases in strength. The creep constants for NaCl are a function of treatments which affect the bulk structure but are not a function of treatments which only affect the surface.

Stearns, Carl A.↗

Understanding the deformation mechanisms in Ni-based superalloys with using crystal plasticity finite element method

Nl-based superalloy is considered as a good candidate due to its excellent resistance to elevated temperature deformation for long term period application. Understanding the deformation and failure mechanisms of Ni-Based superalloys is very helpful for providing design guidelines for processing Ni-based superalloys. Experimental characterization indicates that the deformation mechanisms of Ni based superalloy is strongly microstructure dependent. Besides, damage transform from the void nucleation to the macro cracks by voids growth leading to the failure of the Ni-based superalloys are also showing strong microstructure sensitivity. Therefore, this work focuses on the prediction and comprehension of the deformation and void growth behavior in Ni based superalloy at different working conditions via crystal plasticity finite element modeling and simulation. Physically based crystal plasticity frameworks were developed for newly Ni- based superalloy Haynes 282. It was found that dislocation shearing through the precipitates were acting as the main contributor to the strength of Haynes 282 at room temperature and 815°C. Our analysis of the creeping behavior of Haynes 282 exhibited that resistance of general climb replaced by the resistance induced by the deposited climb dislocation density. In addition, in the study of void growth behavior, our simulation results demonstrated that as the main loading axis perpendicular to the grain boundary (GB), voids grow more slowly on tilt GBs in bicrystals than those in single and bicrystals with twist GBs. And tilt GBs would promote the void grow into irregular shape.

36 MATERIALS SCIENCE↗

Local damage in grain boundary stabilized nanocrystalline aluminum

The excess free volume in grain boundaries of pure nanocrystalline aluminum leads to the grain coarsening, which degrades their desirable mechanical properties. The preferential segregation of dopants to the grain boundaries has been proposed to enhance the stability of the nanostructure. Here, to shed light on the stabilization mechanisms, we present results from virtual mechanical tests on nanocrystalline aluminum samples with similar grain sizes but different magnesium dopant contents. The segregation of magnesium decreases the excess free volume within the grain boundaries and prohibits the nucleation and growth of intergranular cracks.

36 MATERIALS SCIENCE↗

EPRI-NASA Cooperative Project on Stress Corrosion Cracking of Zircaloys

Examinations of the inside surface of irradiated fuel cladding from two reactors show the Zircaloy cladding is exposed to a number of aggressive substances, among them iodine, cadmium, and iron-contaminated cesium. Iodine-induced stress corrosion cracking (SCC) of well characterized samples of Zircaloy sheet and tubing was studied. Results indicate that a threshold stress must be exceeded for iodine SCC to occur. The existence of a threshold stress indicates that crack formation probably is the key step in iodine SCC. Investigation of the crack formation process showed that the cracks responsible for SCC failure nucleated at locations in the metal surface that contained higher than average concentrations of alloying elements and impurities. A four-stage model of iodine SCC is proposed based on the experimental results and the relevance of the observations to pellet cladding interaction failures is discussed.

Cubicciotti, D.↗

Computer simulation of fracture using long range pair potentials

The behavior of a crack in iron is studied using computer simulation. A Morse interatomic potential is used which is of a longer ranged nature than the potentials used in previous studies. With this potential, blunting of the crack tip by spontaneous dislocation nucleation occurs under most conditions. The presence of hydrogen appears to inhibit this blunting and thus to encourage brittle fracture. In the absence of hydrogen, a temperature dependent brittle-ductile transition is observed for some loads. This behavior is quite different from that observed when shorter ranged potentials are used, and it appears to be in somewhat better agreement with experimental results. This agreement with experiment is not conclusive, however, indicating the need for further work to determine more accurate potentials.

Mullins, M.↗

A near-field study of VO2/(100)TiO2 film and its crack-induced strain relief

Temperature-induced metal–insulator transition (MIT) in vanadium dioxide (VO2) has been under intense research interest for decades both theoretically and experimentally. Due to the complex nature of electron correlations, the underlying physics behind the MIT in VO2 has yet to be fully grasped. In this work, we utilize the fine resolution of the scattering-type scanning near-field optical microscope to investigate the MIT in an epitaxial VO2 thin film on the (100)R TiO2 substrate with mid-infrared light. Bidirectional tweed-like metal–insulator phase coexistence patterns are observed and understood under the Landau free energy paradigm. More interestingly, delayed metallic nucleation is observed near the surface cracks due to local strain relief. This research proposes ideas in investigating the temperature–pressure phase diagram and tuning the interplay between local strain and MIT in oxide thin films.

Chen, Xinzhong (ORCID:0000000261033848)↗

Hierarchical crack buffering triples ductility in eutectic herringbone high-entropy alloys

In human-made malleable materials, microdamage such as cracking usually limits material lifetime. Some biological composites, such as bone, have hierarchical microstructures that tolerate cracks but cannot withstand high elongation. Here, we demonstrate a directionally solidified eutectic high-entropy alloy (EHEA) that successfully reconciles crack tolerance and high elongation. The solidified alloy has a hierarchically organized herringbone structure that enables bionic-inspired hierarchical crack buffering. This effect guides stable, persistent crystallographic nucleation and growth of multiple microcracks in abundant poor-deformability microstructures. Hierarchical buffering by adjacent dynamic strain–hardened features helps the cracks to avoid catastrophic growth and percolation. Our self-buffering herringbone material yields an ultrahigh uniform tensile elongation (~50%), three times that of conventional nonbuffering EHEAs, without sacrificing strength.

36 MATERIALS SCIENCE↗

Evolution of tensile and shear cracking in crystalline rocks under compression

Here we performed laboratory-scale unconfined compression experiments on Barre granite specimen with a single pre-existing flaw to study the evolution of tensile and shear cracking that occurs during different stress levels. Moment tensor inversion of acoustic emission (AE) events in combination with the nonelastic strain component obtained through the 2D digital image correlation (DIC) technique are used to track the changes in the source mechanisms of the stress-induced cracks. The mode of deformation computed from the image based strain profiles, enables visual comparison of the nucleation, growth and interaction of the tensile and shear cracks with the microseismic source mechanism observed by moment tensor inversion of the AE events. Comparing the results obtained from the two techniques on the same dataset demonstrates a quantitative correlation between the acoustic and visual observations in terms of the cracking mechanisms obtained at different stages of cracking from crack initiation at the flaw tips to the failure of the rock specimen.

58 GEOSCIENCES↗