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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Investigation of deformation mechanisms in an advanced FeCrAl alloy using in-situ SEM-EBSD testing

The deformation mechanisms associated with uniaxial tensile testing are observed by conducting tensile experiments of an FeCrAl alloy using scanning electron microscopy (SEM) coupled with electron backscattered diffraction (EBSD). Prior to the deformation, investigated alloy was consisting grain and precipitate size of ~63.0 μm and ~6.7 μm, respectively. The recorded SEM micrographs and EBSD data at increasing levels of strains revealed the complex phenomena of slip bands’ formation in the presence of surface grain morphology evolution and their (001), (110) and (111) crystallographic planes distortions. The grains with orientation (110)||tensile direction (TD) shows higher shape change; however, (001)||TD and (111)||TD oriented grains show higher lattice gradient formation. Extracted information from the EBSD indicates that the crystallographic rotations drive towards specific, fiber-like texture in relation to the loading direction. Postmortem analysis of the recorded microstructure during the tensile deformation explains the phenomena of crack formation in the hard-intermetallic particles before the ultimate tensile strength (UTS). However, after the UTS, pores were identified in the neck that resulted from extensive plastic deformation. In-depth analysis was carried out to identify the cause of cracks and pores formation phenomena during the tensile test.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Crystallographic ordering of Al and Sn in α-Ti

Increasing attention is being paid to α (2) Ti 3 (Al,Sn) precipitation from the α phase of titanium alloys owing to its effect on slip band formation, localisation and the implications for fatigue performance in jet engine titanium. However, the early stages of α 2 precipitation have historically been difficult to observe by electron microscopy, neutron diffraction or atom probe analysis. Here, small angle X-ray scattering is used to reexamine the phase boundary in binary Ti-Al and Ti-Sn alloys with around 500 ppmw O. It is found that the phase boundaries in the literature are approximately correct, at 6.2 wt.% Al and 16.9 wt.% Sn, and that this favours the use of Al as a solid solution strengthener over Sn for ambient temperature applications. However, once O content and phase partitioning in α + β alloys are taken into account, this implies that Al eq limits for future alloy design of critical rotating parts should be lowered substantially.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of Realistic, Cyclic Atmospheric Cycles on the Pitting Corrosion of Austenitic Stainless Steels

Pitting corrosion was evaluated on stainless steels 304H, 304, and 316L the surfaces of which had ASTM seawater printed on them as a function of surface roughness after exposure to an exemplar realistic atmospheric diurnal cycle for up to one year. Methods to evaluate pitting damage included optical imaging, scanning electron microscopy imaging, profilometry analysis, and polarization scans. The developed cyclic exposure environment did not significantly influence pitting morphology nor depth in comparison to prior static exposure environments. Cross-hatching was observed in a majority of pits for all material compositions with the roughest surface finish (#4 finish) and in all surface finishes for the 304H composition. Evidence is provided that cross-hatched pit morphologies are caused by slip bands produced during the grinding process for the #4 finish or by material processing. Additionally, micro-cracking was observed in pits formed on samples with the #4 surface finish and was greatly reduced or absent for pits formed on samples with smooth surface finishes. This suggests that both a low RH leading to an MgCl 2 -dominated environment and a rough surface containing significant residual stress are necessary for micro-cracking. Finally, the use of various characterization techniques and cross sectioning was employed to both qualitatively and quantitatively assess pitting damage across all SS compositions and surface finishes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Fundamental Study of Fatigue Crack Initiation at Grain and Twin Boundaries in Austentic Stainless Steel (Final Technical Report)

The overarching goal of this project was to understand the dislocation-based mechanisms driving fatigue crack initiation at grain and twin boundaries. The hypothesis of the work is that dislocation structures equivalent to persistent slip bands (PSBs) form in the boundaries, leading to local stress concentrations and fatigue crack initiation. The sub-goals associated with this work include: • Understanding the evolution of the dynamic stress state and dislocation density surrounding PSB/grain boundary interactions. This will require the development of new techniques that couple high resolution electron backscatter diffraction (HREBSD) with in situ scanning electron microscopy (SEM) deformation. • Uncover the mechanisms by which dislocations are accommodated in grain and twin boundaries during fatigue. The proposed approach here is to conduct in situ transmission electron microscopy (TEM) deformation experiments on fatigued samples. • Establish correlations between microstructure, deformation accommodation, and crack initiation across time and length scales. This work primarily focuses on understanding fatigue crack initiation in austenitic stainless steels, though promising work by an undergraduate researcher extended the work to high purity Al.

42 ENGINEERING↗
DOE OSTI2023

Tailoring planar slip to achieve pure metal-like ductility in body-centred-cubic multi-principal element alloys

Uniform tensile ductility (UTD) is crucial for the forming/machining capabilities of structural materials. Normally, planar-slip induced narrow deformation bands localize the plastic strains and hence hamper UTD, particularly in body-centred-cubic (bcc) multi-principal element high-entropy alloys (HEAs), which generally exhibit early necking (UTD < 5%). Here we demonstrate a strategy to tailor the planar-slip bands in a Ti-Zr-V-Nb-Al bcc HEA, achieving a 25% UTD together with nearly 50% elongation-to-failure (approaching a ductile elemental metal), while offering gigapascal yield strength. The HEA composition is designed not only to enhance the B2-like local chemical order (LCO), seeding sites to disperse planar slip, but also to generate excess lattice distortion upon deformation-induced LCO destruction, which promotes elastic strains and dislocation debris to cause dynamic hardening. Further, this encourages second-generation planar-slip bands to branch out from first-generation bands, effectively spreading the plastic flow to permeate the sample volume. Moreover, the profuse bands frequently intersect to sustain adequate work-hardening rate (WHR) to large strains. Our strategy showcases the tuning of plastic flow dynamics that turns an otherwise-undesirable deformation mode to our advantage, enabling an unusual synergy of yield strength and UTD for bcc HEAs.

36 MATERIALS SCIENCE↗
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 OSTI2022

New large-strain FFT-based formulation and its application to model strain localization in nano-metallic laminates and other strongly anisotropic crystalline materials

This paper presents a new robust large-strain (LS) elasto-viscoplastic (EVP) formulation based on Fast Fourier Transforms (FFTs) for the prediction of the micro-mechanical response and microstructure evolution of polycrystalline and multiphase materials, with emphasis on the effect of strong crystallographic and/or morphologic anisotropy on localization of plastic deformation. In this work, the novel LS-EVPFFT formulation allows treatment of complex initial geometries and large deformations considering three grids of material points: a regular grid in the reference configuration, where FFTs can be performed; an irregular grid in the initial configuration, created by applying a stress-free displacement field to the reference regular grid; and an irregular grid in the current configuration, undergoing large strains and rotations as the material is loaded. Further numerical stability of the new formulation also required the use of a novel expression for the discrete modified Green’s operator, which reduces spurious field oscillations. After presenting and validating the new formulation by comparison with preexisting implementations and analytical solutions, LS-EVPFFT is applied to the prediction of slip and kink bands formation in polycrystalline columnar ice, and kink bands in single crystal zinc wires, showing good agreement with classic experiments. Finally, the model is used to study kink band formation during compression of Cu–Nb nano-metallic laminates (NMLs), in which accurate treatment of the complex geometry associated with the tortuosity of interfaces and large deformations become critical, showing consistency with corresponding micropillar experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reminiscence of Classical Chaos in Driven Transmons

Transmon qubits are ubiquitously used in superconducting quantum information processor architectures. Strong drives are required to realize fast, high-fidelity, gates and measurements, including parametrically activated processes. Here, we show that even off-resonant drives, in regimes routinely used in experiments, can cause strong modifications to the structure of the transmon spectrum rendering a large part of it chaotic. Accounting for the full nonlinear dynamics of the transmon in a Floquet-Markov formalism, we find that these chaotic states, often neglected through the hypothesis that the anharmonicity is weak, strongly impact the lifetime of the transmon’s computational states. In particular, we observe that chaos-assisted quantum phase slips greatly enhance band dispersions. In the presence of a measurement resonator, we find that approaching chaotic behavior correlates with strong transmon-resonator hybridization, and an average resonator response centered on the bare resonator frequency. These results lead to a photon-number threshold characterizing the appearance of chaos-induced quantum demolition effects during strong-drive operations, such as dispersive qubit readout. The phenomena described here are expected to be present in all circuits based on low-impedance Josephson junctions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Accumulative Roll Bonding of Alloy 2205 Duplex Steel and the Accompanying Impacts on Microstructure, Texture, and Mechanical Properties

The mechanical and microstructural evolution of Alloy 2205 during severe plastic deformation is examined in this study. A combination of accumulative roll bonding (ARB) and cold rolling results in the successful formation of a nanograined dual-phase microstructure of austenite and ferrite with some transformed martensite. Severe deformation to cumulative reductions of 80.5, 92.5, 95, and 97 pct were performed. Microscopy indicates that grain dimensions in the sheet normal direction is less than 100 nm for reductions ≥ 92.5 pct. Shear banding is observed at reductions ≥ 95 pct while twinning is only observed at reductions < 92.5 pct. Neutron diffraction measurements indicated the presence of martensite for reductions ≥ 95 pct at ~ 8 pct volume fraction. Taken in conjunction, it appears that during initial ARB processing, both slip and twinning are active plastic mechanisms. As twinning becomes exhausted, martensitic transformation, slip, and intermittent shear banding account for the active plasticity mechanisms. Material hardness saturates at 92.5 pct reduction, with a maximum hardness of 45 HRC. Sub-sized tensile testing confirms this approximate hardness with measurements indicating a UTS of ~ 1440 MPa. Texture analysis of crystal orientation distributions in the plate normal direction suggest an approximate Kurdjumov–Sachs orientation relationship at all reductions above 80 pct indicating stability of the orientation relationship at high strains. The intragranular structure develops a fine scale sub-grain content with increasing deformation, resulting in a continual evolution of texture up to and including 97 pct reduction. The final structure presents strong components of Goss and rotated cube texture in both the austenite and ferrite. In this body of work we aim to compare ARB of an industrially relevant FCC/BCC system (Alloy 2205) to historical model FCC/BCC systems such as Cu/Nb.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A prediction model of failure threshold for shear deformation in a Zr-based bulk metallic glass

The failure of bulk metallic glasses (BMGs) during plastic deformation at room temperature is abrupt and instantaneous, while the analysis of precursor information based on avalanche events helps predict catastrophic failure. An acoustic emission (AE) signal can provide accurate precursor information for material failure, due to its sensitive and high fast calculation ability. In the current study, AE monitoring tests are carried out during uniaxial compression tests of BMGs at different strain rates. The AE experimental failure threshold, E max , is proposed on the basis of AE cumulative energy, which reflects the intensity of damage evolution at different loading conditions. Compared with the critical shear band velocity (CSBV) associated with stick-slip dynamics of serrated flow, E max is a more sensitive failure parameter since it is connected with the local microscopic changes that occur during the material response process. Here, the E max is obtained prior to reaching the CSBV since the calculation of these two avalanches analysis focuses on the different stages of shear band growth. In particular, AE events are related to the “dry” friction process in the first stage, however, the CSBV is responsible for the “viscous” glide in the second stage. Therefore, Emax is not affected by the complex interactions between the shear bands during the stick-slip process. The maximum avalanche of serrated flow, S max , is proposed as the experimental failure threshold, which depends on the applied strain rate as S max ~ $\dot{ε}$ –λ . According to the relationship of E max and S max , the theoretical failure threshold, E max , follows a criterion E max = 2545$\dot{ε}$ –λ - 4468, where λ is equivalent to 0.15 for this work. Finally, combining the different calculations and AE measurements, this model gives new insights to predict the deformation failure behavior of Zr-based BMGs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Slip delocalization and diffusion mediated carbide formation during fatigue of a nickel-base superalloy

Fatigue crack initiation at high temperatures occurs at microscopic fatigue shear bands that form near twin boundaries in polycrystalline nickel-base superalloys that contain minimal metallurgical defects. The associated dislocation sub-structure is complex and dependent on thermal and mechanical conditions. Here we show the formation of fine-scale carbide precipitates along these fatigue shear bands in a nickel-base superalloy during fatigue above 650 °C. The formation of carbide precipitates is studied using calculations of bulk and pipe diffusion. The contribution of pipe diffusion is observed to be critical in the formation of fine-scale carbides and occurs coincident with the delocalization of slip during fatigue.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Shear band velocity and activation volume during shear deformation by acoustic emission in a Zr-based bulk metallic glass

Here, an analysis is presented for the shear band velocity of plastic deformation and activation volume of the shear transformation zone (STZ) in a Zr 60 Cu 30 Al 10 bulk metallic glass (BMG). Compared to the values calculated by the stick-slip model, the values of shear band velocity calculated after optimization by the acoustic emission technique are much larger than those reported previously. Plastic flow in BMGs is found to be described by a power-law correlation between the maximum velocity of the shear band and the strain rates. Combining the free volume theory and the STZ theory, the relationship between the volume change in the STZ and the shear band velocity is derived as $Ω=A$(27–ln$v/l$). The value of A, which is a material dependent constant, is 5.43 × 10 –3 for the current BMG at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Non-local large-strain FFT-based formulation and its application to interface-dominated plasticity of nano-metallic laminates

Here, this paper presents a novel formulation and its robust numerical implementation of strain-gradient (SG) crystal plasticity within a large-strain (LS) elasto-viscoplastic (EVP) fast Fourier transform (FFT)-based micromechanical model. The resulting non-local SG-LS-EVPFFT formulation is used to model and understand the process of kink band formation during layer-parallel compression of nano-metallic laminates (NMLs). NMLs are layered composites with nanoscale thicknesses, thus requiring consideration of the interaction between dislocations and interfaces within the micromechanical model. The length-scale parameter of the SG model is calibrated by simulating a double pile-up and comparing predictions to analytical solution. This required new expressions for the defect energy, resulting in more accurate double pile-up predictions. The calibrated SG-LS-EVPFFT model is then used to simulate layer-parallel compression of copper-niobium NML. Formation of kink bands is predicted, and the model is used to rationalize the microscopic mechanisms enabling the formation process. It is found that accumulation of dislocations at interfaces leads to activation of layer-parallel slip, which in turn leads to kink band formation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-temperature deformation mechanisms in a BCC+B2 refractory complex concentrated alloy

The current study reports the analysis of the deformation mechanisms at 600 °C in a two-phase, BCC+B2, refractory complex concentrated alloy (RCCA) Al 0.5 NbTa 0.8 Ti 1.5 V 0.2 Zr. At this temperature, the alloy microstructure is unstable and dynamic coarsening of B2 precipitates is evidenced during the mechanical testing. After true plastic strain of 0.030 at strain rate of 10 -4 s -1 , the deformation becomes highly localized in wavy bands reflecting the profusion of cross-slip. Scanning transmission electron microscopy (STEM) observations highlight the presence of paired a/2$\langle$111$\rangle$ dislocations that shear the B2 precipitates in a cooperative process. Additionally, some chemical segregation effect is observed along the narrow dislocation bands likely induced to decrease the antiphase boundary (APB) energy of the system.

ordering↗
DOE OSTI2021

Characteristics and mechanisms of hydrogen-induced quasi-cleavage fracture of lath martensitic steel

Here this study presents an in-depth characterization of the microstructures, crystallographic orientations, and dislocation characteristics beneath hydrogen-induced quasi-cleavage fracture features of an as-quenched, lath martensitic (α') 22MnB5 steel. The fracture surfaces of gaseous hydrogen-embrittled martensitic specimens were analyzed by a combination of multiple analytical tools: scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), transmission electron microscopy (TEM), and transmission Kikuchi diffraction (TKD). The dominant fracture mode in the hydrogen-affected zones was quasi-cleavage fracture, which involved significant plasticity, evidenced by plastic zones near tear ridges and a high density of dislocations beneath the quasi-cleavage facets. The martensite constituent sizes, variant orientations, and boundaries influenced the quasi-cleavage surface morphologies. Fractography revealed the occurrence of {100} α' -type cleavage across martensitic laths, developing relatively “flat” quasi-cleavage surfaces, in addition to {110} α' -type cracking likely along lath and block boundaries, and fracture along non-cleavage planes. The likelihood of the formation of the relatively “flat” quasi-cleavage surfaces increased with increasing martensitic constituent sizes. Substantial dislocation bands formed on intersecting {112} α' slip planes within a martensite block below the hydrogen-induced cleavage fractures on {100} α' planes. River markings on the quasi-cleavage surfaces were found to originate from the complex, hierarchical lath martensitic microstructure. Steps and ridges on the quasi-cleavage facets generally linked with the various martensitic boundaries, suggesting that they were produced as a result of crack deviations at those boundaries. The fracture paths and martensite quasi-cleavage mechanisms are discussed in the context of the role of hydrogen and Cottrell cleavage model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A finite element formulation for deformation twinning induced strain localization in polycrystal magnesium alloys

Deformation twinning induces shear strain localization in hexagonal close-packed crystals and is critical for the material’s ductility and failure. Cracks often occur at twin-twin or twin-grain boundary intersections and propagate along twin bands. However, most crystal plasticity models for deformation twinning are based on a “pseudo-slip” approach and do not capture the localized deformation associated with the formation of each discrete twin band. The few exceptions are discrete twin models that involve very complex numerical algorithms and are often compromised in accuracy due to the numerical convergence. These factors make the discrete twin models hard to adopt. This paper proposes a modification to the conventional finite element weak form, to fully incorporate a twin-induced heterogeneous deformation that does not depend on the “pseudo-slip” assumption. The model starts by splitting the deformation gradient into elastic-slip-twinning components. The twin-induced deformation gradient component is computed separately by solving a microstructural evolution problem and then implemented into finite element weak form by constructing a global “twin-force” vector. The constitutive update (e.g., in the user-defined material subroutine, or UMAT, for ABAQUS) therefore avoids dealing with the twinning and recovers to the form of a regular slip-based crystal plasticity model. The results presented here indicate that the twin-induced strain localization and the associated stress-reversal phenomena near the twin band were naturally captured in the model, which was validated against an in-situ synchrotron X-ray micro-diffraction experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Probing nonlinear velocity profiles of shear-thinning, nematic platelet dispersions in Couette flow using x-ray photon correlation spectroscopy

In this study, we report experiments employing x-ray photon correlation spectroscopy (XPCS) to characterize the velocity profiles of complex fluids in Couette flow. The approach involves modeling the XPCS correlation functions obtained with the incident x-ray beam passing tangentially through the Couette cell gap at various distances from the inner wall. We first demonstrate the technique with measurements on a dilute colloidal dispersion in the Newtonian liquid glycerol, where the expected linear velocity profiles are recovered. We then employ the technique to map the shear-rate-dependent velocity profiles of a shear-thinning dispersion of nematically ordered Gibbsite platelets. The nonlinear velocity profiles of the Gibbsite dispersion include a narrow slip region adjacent to the outer wall and a band with a small velocity gradient in the interior of the gap that evolves into a region increasingly resembling plug flow with increasing shear rate. Variations in the velocity profile along the vorticity direction indicate an instability in the interface between this region of small velocity gradient and a region of high velocity gradient near the inner wall. The analysis of the small-angle scattering patterns provides information about the spatial and temporal variations in the nematic order of the Gibbsite dispersion and their coupling to the velocity profile. Additional potential applications of this XPCS-based technique and comparisons with established methods for characterizing velocity profiles are discussed.

42 ENGINEERING↗