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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modeling the evolution of slip localization: Realization of link to material strength

Slip localization formation is the chief mechanism underlying the deformation of almost all metals, from pure elements to high-performance superalloys. The intensity of individual slip localizations is often related to the ultimate strain level for failure but not to the strength of the metal. Here we show that across 15 distinct metals, the intensity of slip in individual slip localizations and slip localization spacings are strongly related to material yield strength. Using a three-dimensional crystal plasticity-based micromechanical model that explicitly simulates the growth of discrete slip localizations, we reveal that the stronger the metal, the faster and earlier slip localizations intensify. The relationship is attributed to the formation of a zone that surrounds the slip localization where the driving force for slip is absent. We find that the zone size is controlled by the strength of the neighboring crystal. Consequently, as strength increases, slip becomes increasingly preferred within the slip localization itself and formation of other slip localizations becomes more likely further away.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Slip localization behavior at triple junctions in nickel-base superalloys

Incipient slip localization in the vicinity of hundreds of grain boundary triple junctions (TJs) in a lightly deformed nickel-base superalloy IN718 is studied using a combination of three-dimensional (3D) crystal plasticity finite element (CPFE) modeling, high resolution digital image correlation (HR-DIC) and 3D electron back-scatter diffraction tomography (3D EBSD). A 3D reconstruction method enables identification of thousands of TJs and correspondence of any observed slip bands with their originating TJ lines below the specimen surface. Here, we present a large-scale CPFE model of the experimental 3D microstructure composed of high-fidelity representation of the TJ lines and the boundaries and interiors of the parent grains and use it to calculate the local micromechanical response and slip activity of all TJs at the onset of macroscopic yielding. Statistical analysis of the calculated quantities reveal TJs develop larger stress concentration and grain-average re-orientation than grain interiors and grain boundaries, however no substantial differences in cumulative slip were found among these microstructural regions. We find that TJs with observed slip bands generate lower grain-average re-orientation, fewer active slip systems, and more localized slip on a single system than those without. The distinctions in the reorientation and slip activity are stronger in TJs that experience more intense slip.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Hydrogen effects on the deformation and slip localization in a single crystal austenitic stainless steel

Hydrogen is known to embrittle austenitic stainless steels, which are widely used in high-pressure hydrogen storage and delivery systems, but the mechanisms that lead to such material degradation are still being elucidated. The current work investigates the deformation behavior of single crystal austenitic stainless steel 316L through combined uniaxial tensile testing, characterization and atomistic simulations. Thermally precharged hydrogen is shown to increase the critical resolved shear stress (CRSS) without previously reported deviations from Schmid’s law. Molecular dynamics simulations further expose the statistical nature of the hydrogen and vacancy contributions to the CRSS in the presence of alloying. Slip distribution quantification over large in-plane distances (> 1 mm), achieved via atomic force microscopy (AFM), highlights the role of hydrogen increasing the degree of slip localization in both single and multiple slip configurations. The most active slip bands accumulate significantly more deformation in hydrogen precharged specimens, with potential implications for damage nucleation. For $\langle$110$\rangle$ tensile loading, slip localization further enhances the activity of secondary slip, increases the density of geometrically necessary dislocations and leads to a distinct lattice rotation behavior compared to hydrogen-free specimens, as evidenced by electron backscatter diffraction (EBSD) maps. Finally, the results of this study provide a more comprehensive picture of the deformation aspect of hydrogen embrittlement in austenitic stainless steels.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Designing Ti-6Al-4V microstructure for strain delocalization using neural networks

Abstract The deformation behavior of Ti-6Al-4V titanium alloy is significantly influenced by slip localized within crystallographic slip bands. Experimental observations reveal that intense slip bands in Ti-6Al-4V form at strains well below the macroscopic yield strain and may serially propagate across grain boundaries, resulting in long-range localization that percolates through the microstructure. These connected, localized slip bands serve as potential sites for crack initiation. Although slip localization in Ti-6Al-4V is known to be influenced by various factors, an investigation of optimal microstructures that limit localization remains lacking. In this work, we develop a novel strategy that integrates an explicit slip band crystal plasticity technique, graph networks, and neural network models to identify Ti-6Al-4V microstructures that reduce the propensity for strain localization. Simulations are conducted on a dataset of 3D polycrystals, each represented as a graph to account for grain neighborhood and connectivity. The results are then used to train neural network surrogate models that accurately predict localization-based properties of a polycrystal, given its microstructure. These properties include the ratio of slip accumulated in the band to that in the matrix, fraction of total applied strain accommodated by slip bands, and spatial connectivity of slip bands throughout the microstructure. The initial dataset is enriched by synthetic data generated by the surrogate models, and a grid search optimization is subsequently performed to find optimal microstructures. Describing a 3D polycrystal with only a few features and a combination of graph and neural network models offer robustness compared to the alternative approaches without compromising accuracy. We show that while each material property is optimized through a unique microstructure solution, elongated grain shape emerges as a recurring feature among all optimal microstructures. This finding suggests that designing microstructures with elongated grains could potentially mitigate strain localization without compromising strength.

Ahmadikia, Behnam↗
DOE OSTI2025

Grain size effects on slip band development

Crystallographic slip localizations, known as slip bands, concentrate stress in polycrystals, often leading to the nucleation of damage. Slip band development has been experimentally shown to be sensitive to grain size, tending to develop more frequently and with a greater intensity in large grains. In this work, we investigate the influence of grain size on the propensity for crystallographic slip band development. To this end, we employ the slip band-fast Fourier transform method (SB-FFT). SB-FFT is a 3D, full-field crystal plasticity model that permits the incremental development of discrete crystallographic slip bands according to microstructure and material properties. We present a model Inconel 718 tricrystal to isolate the effect of grain size. Our findings show that slip bands in large grains develop at lower applied strain levels and at a faster rate than slip bands in small grains. The grain size effect is due to a backstress produced by the interaction of the slip band and its neighboring grain. The backstress is most intense at small grain sizes, impeding slip activity within a developing slip band and immediately surrounding the slip band.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Role of slip in hydrogen-assisted crack initiation in Ni-based alloy 725

We conduct in situ tensile straining experiments to investigate the role of hydrogen and slip in crack initiation in nickel-based alloy 725. Our experiments reveal no tendency for hydrogen to enhance localized slip and no necessity of slip for crack initiation. We use electrochemical charging to introduce hydrogen into samples, melt extraction to measure hydrogen content, and digital image correlation to analyze localized plastic strains during in situ tensile tests in a scanning electron microscope. Cracks initiate both in regions with and without nearby localized slip. Moreover, the fraction of cracks initiating with no nearby slip is greater at higher hydrogen content. Slip-assisted crack initiation generally occurs at locations where intergranular slip is arrested, especially at intersections of slipping coherent twin boundaries with thin twin lamellae. Cracks that initiate without nearby slip occur at a wider variety of microstructural features, including inclusions, triple junctions, and surface flaws.

36 MATERIALS SCIENCE↗
DOE OSTI2024

On the Interplay Between Distributed Bulk Plasticity and Local Fault Slip in Evolving Fault Zone Complexity

Abstract We numerically investigate the role of plastic strain accumulation on the mechanical response of a planar strike‐slip fault. Our models show that fault‐zone strength significantly impacts the ensuing sequence of earthquakes. Weaker fault zones accumulating more plastic strain promote more complexity in the seismicity pattern through aperiodic earthquake occurrences and intermittent episodes of rupture and arrest. However, if the fault zone strength is high enough, the overall earthquake sequence is characterized by periodic fault‐spanning events. We find that both the fault normal stress and the fault geometric profile evolve throughout the earthquake sequence, suggesting a self‐roughening mechanism. Despite the significant impact of plasticity on the fault response, the width of the plastically deforming region in the fault zone is small compared to the fault length. Our results suggest a rich behavior in dynamically evolving fault zones and support the need for further high‐resolution studies of the highly non‐linear near‐fault region.

Geology↗
DOE OSTI2022

Development of grain-scale slip activity and lattice rotation fields in Inconel 718

Using a combination of in-situ high-resolution digital image correlation (HR-DIC), Heaviside-DIC method (H-DIC), and crystal plasticity finite element (CPFE), we investigate the evolution of intragranular lattice rotations and slip activity during monotonic and cyclic loading in a high performance, polycrystalline face centered cubic material. The CPFE employs a quasi-3D model microstructure, which is a highly resolved mirror representation of the experimental in-situ test sample. In agreement, the measurements and calculations reveal that most grains, regardless of their size and lattice orientation, develop intragranular lattice rotation gradients that span the grain. For a small cluster of grains on the deformed material, we perform HR-DIC analysis of slip lines to demonstrate agreement in the active slip systems and changes in this local slip activity across the individual grains. The combined analysis reveals that deforming grains are divided into sub-granular regions of uniform lattice rotation and these regions are most often associated with only one or two active slip systems. The gradient lines that divide them correspond to changes in the predominant slip system. The model is used to examine the evolution of intragranular lattice rotation in a single fully reversed tension-compression cycle. The calculations indicate that intragranular gradients intensify during the reverse loading path as nearest neighboring regions appear to shed lattice rotation, increasing the lattice rotation in some regions, while shutting down rotation in neighboring regions. So these findings provide insight into the irreversible changes that develop within deforming grains at the scale of the grain, particularly the heterogeneous development of intragranular lattice rotation in early stages of deformation, which could serve as precursors to localization.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Grain boundary slip – twin transmission in titanium

Here, using a combination of mechanical testing, scanning electron microscopy, and a unified crystal plasticity framework for discrete intragranular shear localization, we investigate intense, localized slip bands on prismatic planes and {10$\bar{1}$2} $\langle$$\bar{1}$011$\rangle$ tensile twins, and their transmission across the grain boundaries (GBs) in commercially pure titanium. The analyses show that the orientation and curvature of the GB influence the local stress fields at the GBs, and consequently, the slip/twin transmission across the boundary. In addition to host grain properties, neighboring grain properties, such as active slip systems and instances of heterogeneity like slip bands and twins, heavily affect the deformation mechanisms in each grain. Finally, the applicability of geometric factors to predict the transmission in the experimentally observed co-located pairs is discussed. The local stress field calculated by the discrete slip and twin band model is shown to be capable of determining whether a transmission has occurred in an observed co-located pair, and also the direction of the transmission.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Insights into Plastic Localization by Crystallographic Slip from Emerging Experimental and Numerical Approaches

Advanced experimental and numerical approaches are being developed to capture the localization of plasticity at the nanometer scale as a function of the multiscale and heterogeneous microstructure present in metallic materials. These innovative approaches promise new avenues to understand microstructural effects on mechanical properties, accelerate alloy design, and enable more accurate mechanical property prediction. This article provides an overview of emerging approaches with a focus on the localization of plasticity by crystallographic slip. New insights into the mechanisms and mechanics of strain localization are addressed. The consequences of the localization of plasticity by deformation slip for mechanical properties of metallic materials are also detailed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enhanced work hardening from oxygen-stabilized ω precipitates in an aged metastable β Ti-Nb alloy

High levels of oxygen in solid solution in Ti alloys are considered detrimental to mechanical properties because of embrittlement concerns. In metastable β titanium alloys, the formation of isothermal ω precipitates is also known to cause severe embrittlement and ductility reduction. However, oxygen has been shown to partition to the ω phase during ageing, and this partitioning behavior may potentially impact ω’s mechanical contribution. Using micropillar compression, we compared the deformation behavior of Ti-20Nb (at. %) with oxygen-stabilized ω precipitates to the behavior of oxygen-free specimens. The oxygen-stabilized microstructures showed increased compressive yield strength and enhanced work hardening behavior compared to oxygen-free specimens. In the absence of oxygen, the compressed pillars showed slip band formation and catastrophic failure, and transmission electron microscopy imaging revealed that ω precipitates were sheared within the continuous deformation channels resulting in slip localization. In contrast, oxygen-stabilized ω precipitates were harder to shear and the formation of continuous deformation channels was suppressed during compression, leading to improved work hardening behavior up to 15% strain. Furthermore, this counter-intuitive role of oxygen may offer design strategies to address the significant embrittlement and loss of ductility observed for ω-strengthened β Ti alloys without oxygen and avenues to expand the use of β Ti alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Capturing the softening in T91 steel annealed with molten LBE through interfacial gradient plasticity

In order to study the effect of annealing with molten lead–bismuth eutectic alloy (mLBE) on the mechanical properties of T91 steel, micropillar compression tests were analyzed through the consideration of mechanical interface energy terms within gradient plasticity. The stress–strain curves of the micropillars showed significant stochastic effects, characterized by a different elastic and plastic behavior response for each pillar. Among the various pillars, some exhibited a similar trilinear behavior. Scanning electron microscopy (SEM) images of these specimens demonstrated localized slip deformation and slip planes after compression, while transmission electron microscopy (TEM) images showed the presence of a severe slip zone along the random grain boundaries (RGBs), indicating that the GBs played a dominant role in the deformation/slip. By employing interfacial gradient plasticity that can explicitly account for the presence of GBs, the trilinear response was captured, allowing for the determination of the mechanical interface parameter. As anticipated the pillars which underwent severe slip at the GBs had a lower value for the mechanical interface parameter. Finally, annealing with mLBE can, therefore, in some cases result in softening in the overall stress–strain, as it lowers the mechanical interface energy of GBs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Heterogeneous fatigue damage in a nickel-based single-crystal superalloy unraveled using correlative 3D X-ray technology

Nickel-based single-crystal (Ni-SX) superalloys under cyclic stress are susceptible to cracking at stress-concentration sites, eventually leading to low-cycle fatigue (LCF) failure. LCF cracks typically originate from intrinsic defects (e.g., voids and carbides) within solidified dendrites. However, systematic quantitative experimental analyses of defect-mediated local damage remain limited. To thoroughly understand the microscopic origins and evolution of LCF damage, correlated 3D mapping of dendrites across various regions is essential. Here, in this study, macroscale micro-computed tomography (μ-CT) was initially used to capture internal interdendritic secondary cracks within bulk DD413 superalloy after LCF testing at 760 °C. Subsequently, a multimodal methodology combining synchrotron 3D microdiffraction (3D-μXRD), high-resolution μ-CT, and electron microscopy was established. This approach allowed precise localization of internal damage zones near interdendritic secondary cracks and detailed mapping of the 3D correlated distributions of dendrites, defects, and residual stress/strain fields within these zones at submicron spatial resolution. Finally, the same approach was applied to specimens subjected to interrupted loading at approximately 40 % of the fatigue life to uncover the early damage states of dendrites. The dendrite cores (DCs) and interdendritic regions (IDs) exhibit microscale heterogeneous mechanical responses: nearly defect-free DCs accumulate local irreversible slip along specific slip systems to generate slip bands, while the IDs containing various defects accommodate local microplasticity through the activation of multiple slip systems around these defects. The local tensile stress near defects in the IDs exceeds that in the DC slip band regions by more than threefold, leading to the generation of local damage zones within the IDs. Chain-like defect distributions facilitate the interconnection of these local zones into a continuous damage region, further elevating the overall tensile stress in the IDs. Additionally, geometrically necessary dislocations alone are insufficient as indicators of LCF damage; both the internal stress state and its magnitude must be considered. These experimental results provide critical data and insights for the development of multi-physics fatigue models.

Localized deformation↗
DOE OSTI2022

Stress-controlled fatigue of HfNbTaTiZr high-entropy alloy and associated deformation and fracture mechanisms

The stress-controlled fatigue tests are carried out at a stress ratio of 0.1 and a frequency of 10 Hz, and span both low-cycle and high-cycle regimes by varying the applied stress amplitudes. The high-cycle fatigue regime gives a fatigue strength of 497 MPa and a fatigue ratio of 0.44. At equivalent conditions, the alloy's fatigue strength is greater than all other high-entropy alloys (HEAs) with reported high-cycle fatigue data, dilute body-centered cubic alloys, and many structural alloys such as steels, titanium alloys, and aluminum alloys. Through in-depth analyses of crack-propagation trajectories, fracture-surface morphologies and deformation plasticity by means of various microstructural analysis techniques and theoretical frameworks, the alloy's remarkable fatigue resistance is attributed to delayed crack initiation in the high-cycle regime, which is achieved by retarding the formation of localized persistent slip bands, and its good resistance to crack propagation in the low-cycle regime, which is accomplished by intrinsic toughening backed up by extrinsic toughening. Additionally, the stochastic nature of the fatigue data is neatly captured with a 2-parameter Weibull model.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Divergent evolution of slip banding in CrCoNi alloys

Abstract Metallic materials under high stress often exhibit deformation localization, manifesting as slip banding. Over seven decades ago, Frank and Read introduced the well-known model of dislocation multiplication at a source, explaining slip band formation. Here, we reveal two distinct types of slip bands (confined and extended) in compressed CrCoNi alloys through multi-scale testing and modeling from microscopic to atomic scales. The confined slip band, characterized by a thin glide zone, arises from the conventional process of repetitive full dislocation emissions at Frank–Read source. Contrary to the classical model, the extended band stems from slip-induced deactivation of dislocation sources, followed by consequent generation of new sources on adjacent planes, leading to rapid band thickening. Our findings provide insights into atomic-scale collective dislocation motion and microscopic deformation instability in advanced structural materials.

Science & Technology - Other Topics↗
DOE OSTI2021

The effects of free surfaces on deformation twinning in HCP metals

Deformation twinning is a predominant mode of plastic deformation for hexagonal close packed metals, like Mg and Ti. The heterogenous microstructure and the local stresses associated with twinning play a key role in their mechanical response and fracture. Surface analyses, like electron microscopy, are frequently employed to spatially map microstructure and micromechanical fields in order to study twinning behavior. However, these measurements are inherently influenced by the vicinity of the free surface. In this work, an elasto-visco-plastic fast-Fourier-transform (EVP-FFT) polycrystal modeling approach is employed to investigate the effects of free surfaces on twin development before and after loading. We compare calculated micromechanical fields on free surfaces with those calculated inside the bulk and, in some cases, experimental surface measurements. The results indicate that the creation of free surfaces can promote twin propagation and growth and can influence twin morphology by causing a twin lamella to become larger, more blunted and irregular. The structure along the twin boundaries are also affected, due to the higher driving stresses that extend prismatic-basal and basal-prismatic facets. Furthermore, free surfaces invoke different slip activities in the twin and the surrounding parent crystal by enhancing basal, prismatic and pyramidal slip in some localized regions, while reducing slip in others. We demonstrate that the simulated free-surface effects lead to better qualitative and quantitative agreement with experimental measurements from scanning electron microscopy and digital image correlation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Maximum strength and dislocation patterning in multi–principal element alloys

Multi–principal element alloys (MPEAs) containing three or more components in high concentrations render a tunable chemical short-range order (SRO). Leveraging large-scale atomistic simulations, we probe the limit of Hall-Petch strengthening and deformation mechanisms in a model CrCoNi alloy and unravel chemical ordering effects. The presence of SRO appreciably increases the maximum strength and lowers the propensity for faulting and structure transformation, accompanied by intensification of planar slip and strain localization. Deformation grains exhibit notably different microstructures and dislocation patterns that prominently depend on their crystallographic orientation and the number of active slip planes. Grain of single-planar slip attains the highest volume fraction of deformation-induced structure transformation, and grain with double-slip planes develops the densest dislocation network. These results advancing the fundamental understanding of deformation mechanisms and dislocation patterning in MPEAs suggest a mechanistic strategy for tuning mechanical behavior through simultaneously tailoring grain texture and local chemical order.

36 MATERIALS SCIENCE↗