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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Hydrogen influences thermal activation parameters for dislocation glide during low cycle fatigue of 316L stainless steel

Measurements of activation areas are used to investigate the effect of hydrogen on the kinetics of dislocation glide during cyclic deformation in cold-worked 316L stainless steel. Non-charged and hydrogen-precharged (H-precharged) specimens were tested in low cycle fatigue (LCF) under plastic strain control. A series of plastic strain rate changes was performed periodically at the peak true plastic strain from the first cycle to half-life, and at various plastic strain values around stable hysteresis loops near half-life to determine the operational activation area, Δ a ∗. Both material conditions demonstrate a rapid increase in Δ a ∗ during the initial rapid softening followed by a region of approximately constant values coinciding with a reduced rate of softening. Near half-life, hydrogen reduces Δ a ∗ at a given true stress due to its effect on the activation distance and obstacle spacing. The magnitudes of Δ a ∗ reveal that bypassing solutes, cutting forest dislocations, and initiating cross slip are important mechanisms of thermally activated dislocation glide at all amplitudes, except hydrogen suppresses cross slip at the lowest plastic strain amplitudes. These results are supported by electron microscopy characterization of deformed microstructures. A Haasen plot analysis indicates that forest dislocations control the kinetics of deformation in both material conditions. It also reveals the presence of athermal obstacles in both non-charged and H-precharged conditions, likely dense dislocation tangles and cell walls. Additionally, the effect of hydrogen on microstructure evolution (by reducing the propensity for cross slip) leads to a dependence of athermal stress on plastic strain amplitude.

Activation area↗
DOE OSTI2022

Prismatic-to-basal plastic slip transition in zirconium

Here, we model three-dimensional dislocation ensembles in Zr pillars using newly developed mobility laws for dislocations on prismatic and basal planes. The effects of the loading orientation and temperature on the micro-scale mechanical response of single crystals are systematically explored. Easy dislocation glide is observed on prismatic planes, while hard glide occurs on basal planes. By selection of sample temperature and loading orientation, we show that the transition from prismatic to basal glide of dislocation ensembles can be controlled. We also show that the presence of dislocation cross-slip strongly promotes prismatic glide as a result of prismatic/basal cross-slip energy asymmetry. Cross-slip does not alter the occurrence of plastic slip transition but only induces a shift towards higher temperatures. The preponderance of plastic slip on basal or prismatic planes is found to be mediated by a transitional dislocation, which is composed of glissile segments on parallel prismatic planes connected by glissile super-jogs on basal planes. These findings provide a mechanistic understanding of experiments and highlight the significance of transitional prismatic-basal dislocations on the macroscopic characteristics of plasticity in HCP crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dislocation line tension model to improve understanding of the effects of hydrogen on the deformation of structural materials

Decarbonization efforts highlight hydrogen as an attractive alternative to fossil fuels, but its tendency to embrittle structural metals demands careful consideration when designing hydrogen infrastructure. Moreover, the mechanisms by which hydrogen degrades these materials are still being elucidated. The current work develops new computational tools to quantify the different contributions of hydrogen to the energy barrier of cross-slip, a key deformation mechanism. Novel features are implemented to a line tension model, which include the use of non-singular dislocation interactions, character-dependent dislocation energies and simulations of the constriction configurations. A new molecular dynamics technique is developed to calculate the interaction energy between the partials of a dissociated dislocation via fixing the centers of mass of the regions below and above the Shockley partials and performing time-averaged calculations. Hydrogen is found to impact the stacking fault width of dislocations in different ways depending on their characters: it decreases for dislocations with a character θ > 30°, remains unchanged for θ = 30° and increases for θ < 30°. The latter regime is a newly identified mechanism by which hydrogen inhibits cross-slip. Moreover, formation of nano-hydrides is predicted to occur around screw dislocations for high hydrogen concentrations, a phenomenon previously identified only in dislocations with an edge component. If nano-hydrides develop, their influence extending the equilibrium stacking fault width and increasing both the constriction and cross-slip energy barriers dominate over all other hydrogen contributions. The theory and tools developed will pave the way towards a comprehensive understanding of hydrogen-dislocation interactions in structural metals.

08 HYDROGEN↗
NASA NTRS1987

The characteristics of gamma-prime dislocation pairs in a nickel-base superalloy

The gamma-prime dislocation pairs of a single crystal nickel-base superalloy, PWA 1480, after tensile and fatigue loading at 650 C are analyzed. The existence and extent of cube cross slip in octahedral slip, and the nature of gamma-prime dislocation pairs in primary cube slip are investigated. It is observed that the PWA 1480 specimens oriented near (001) and (-3 6 10) line directions deform by octahedral slip and specimens oriented near (-1 1 1) and (-2 3 4) lines deform by primary cube slip. It is determined that the overall dislocation distributions are more homogeneous in low cycle fatigue (LCF) loading than in monotonic tensile loading; however, the gamma-prime dislocation pair characteristics are similar for tensile and LCF test specimens. The data reveal that the gamma-prime dislocation pairs of octahedral slip specimens are near-screw and on the cube cross slip plane and for the cube slip specimens, the dislocation pairs are of various characters and on the primary cube slip plane.

Gabb, T. P.↗
NASA NTRS1992

Mechanisms of isothermal phase transformations in rapidly solidified Ti-24Al-11Nb

A dynamic simulation for the motion of an isolated superdislocation (SD) under an applied stress is presented. The simulation incorporates the concept that cross slip from (111) planes to (010) planes can locally pin the SD. It is determined that the principal effect of cross-slip-pinning is not the reduction in the SD velocity, but rather the exhaustion of the density of mobile SDs.

Hsiung, L. M.↗
NASA NTRS1987

Effect of hydrogen on deformation structure and properties of CMSX-2 nickel-base single-crystal superalloy

Material used in this study was a heat of the alloy CMSX-2. This nickel-based superalloy was provided in the form of oriented single crystals, solutionized for 3 hrs at 1315 C. It was then usually heat treated as follows: 1050 C/16h/air cool + 850 C/48h/air cool. The resulting microstructure is dominated by cuboidal, ordered gamma precipitates with a volume fraction of about 75% and an average size of 0.5 microns. In brief, the most compelling hydrogen induced-changes in deformation structure are: (1) enhanced dislocation accumulation in the gamma matrix; and (2) more extensive cross-slip of superdislocations in the gamma precipitates. The enhanced dislocation density in gamma acts to decrease the mean free path of a superdislocation, while easier cross slip hinders superdislocation movement by providing pinning points in the form of sessile jobs. Both processes contribute to the increase of flow stress and the notable work hardening that occurs prior to fracture.

Dollar, M.↗
DOE OSTI2023

High-Temperature Creep Behavior of Thin-Walled FeCrAl Alloy Tubes

This report summarizes measured creep properties for FeCrAl alloy C26M measured using subsized specimens machined from prototypic thin-walled tubes. A representative tube fabricated in a previous large batch production effort was machined into dual-gauge axial specimens using electrical-discharge machining. Creep tests, comprising strain-rate jump tests (SRJ), jump stress (JS) and constant-stress (CS) tests, were conducted at temperatures ranging from 600-900ºC to determine creep mechanisms (elucidated from stress exponents) and activation energies to compare with prior data available in the literature at temperatures up to 650ºC. It was found that the results from the SRJ tests indicated that the highest stress exponent of 5.8 occurred at 600ºC, which decreased to the lowest stress exponent of 2.5 at 700ºC. At higher temperatures, the stress exponents increased slightly to a range of 2.9 to 4.3 between 750ºC and 900ºC. The high stress exponent value of 5.8 suggested dislocation glide creep mechanisms dominated creep deformation at 600ºC since high stress values were measured. The low stress exponent of 2.5 at 700ºC suggested diffusional creep mechanisms start to occur that aid in dislocation cross-slip and climb mechanisms. The slightly higher stress exponents of 2.9 to 3.9 may suggest different contributions of creep deformation mechanisms based on diffusional processes associated with Nabarro-Herring and Coble creep and dislocation creep that involve thermally activated cross-slip and climb mechanisms. These deformation mechanisms could have also been affected by the development of recovery and/or recrystallization processes in the microstructure of the C26M2 specimens. From the SJ and single CS tests, two sets of creep activation energies were calculated. The steady state creep values obtained from the SJ tests showed several abnormalities especially with the data at 850ºC. The comparison of the creep activation energies between the data from the SJ and CS tests showed higher creep rates for the SJ tests than the CS tests, indicating microstructure softening occurred in the C26M2 specimens during the SJ tests that led to the higher creep rates at stresses above the initial stress of 10 MPa. For the CS tests, the results showed steady increases in MCR with increasing temperature at each stress. The best linear fit to the MCR values at each stress was with data obtained at 800ºC, 850ºC and 900ºC. The lowest Q c value of 130.8 KJ/mole was observed with the highest stress of 25 MPa. As stress was lowered, the Q c values increased continuously to the highest value of 188.2 KJ/mole at 10 MPa. This trend suggests that the dominant creep mechanism is diffusional based dislocation climb since the decreasing activation energies with increasing stress promotes easier dislocation climb around obstacles. The comparison between the SJ and CS tests indicates that the best type of creep test performed on FeCrAl alloys such as C26M2 is the single CS test.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Discovery of multimechanisms of screw dislocation interaction in bcc iron from open-ended saddle point searches

Dislocation motion and interactions determine mechanical properties in body-centered cubic (bcc) metallic materials. However, studying mechanisms for the screw dislocation interaction is fundamentally challenging since many underlying processes involve mesotimescales and atomistic resolution, currently inaccessible by either experimental techniques or continuum theoretical methods. Here, in this paper, we develop a computational capability based on self-evolving atomistic kinetic Monte Carlo (SEAKMC) to sample the critical events and saddle point energies related to screw dislocations and their junctions. The method is first validated by calculating the stress dependence of Peierls barriers and formation energies of kink pairs and cross-slip kink pairs on a single screw dislocation in bcc iron. Then the method is applied to a binary junction of a pair of intersecting screw dislocations, the structure of which is crucial for low-temperature plastic deformation. We identify three important mechanisms: coplanar cross-slipping, jog-pinning, and a previously unknown unzipping mechanism during the evolution of the binary junction. The mechanisms are then further validated using classical molecular dynamics simulations. The computational capability developed in this paper provides an effective tool to evaluate screw dislocation related thermally activated events in complex stress conditions. The mechanisms discovered in this paper provide critical insights into temperature dependence of the anomalous slip, a breakdown of the Schmidt law, during the plastic deformation in bcc iron and can be generalized to other bcc metals.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the implementation of dislocation reactions in continuum dislocation dynamics modeling of mesoscale plasticity

The continuum dislocation dynamics framework for mesoscale plasticity is intended to capture the dislocation density evolution and the deformation of crystals when subjected to mechanical loading. It does so by solving a set of transport equations for dislocations concurrently with crystal mechanics equations, with the latter being cast in the form of an eigenstrain problem. Incorporating dislocation reactions in the dislocation transport equations is essential for making such continuum dislocation dynamics predictive. A formulation is proposed to incorporate dislocation reactions in the transport equations of the vector density-based continuum dislocation dynamics. This formulation aims to rigorously enforce dislocation line continuity using the concept of virtual dislocations that close all dislocation loops involved in cross slip, annihilation, and glissile and sessile junction reactions. The addition of virtual dislocations enables us to accurately enforce the divergence free condition upon the numerical solution of the dislocation transport equations for all slip systems individually. A set of tests were performed to illustrate the accuracy of the formulation and the solution of the transport equations within the vector density-based continuum dislocation dynamics. Comparing the results from these tests with an earlier approach in which the divergence free constraint was enforced on the total dislocation density tensor or the sum of two densities when only cross slip is considered shows that the new approach yields highly accurate results. Bulk simulations were performed for a face centered cubic crystal based on the new formulation and the results were compared with discrete dislocation dynamics predictions of the same. The microstructural features obtained from continuum dislocation dynamics were also analyzed with reference to relevant experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dislocation Patterning in Deforming Crystals: Theory, Computational Predictions and Validation (Final Technical Report)

This project was awarded for an initial period of three years, followed by a no-cost extension for one year and a funded one-year renewal. During the first four years, the project focused on investigating the role of dislocation reactions and dislocation correlation in dislocation patterning in FCC metals. During the fifth year, the scope of research was expanded to investigate the effects of composition inhomogeneity on the mesoscale plastic response of Body-Centered Cubic (BCC) alloys. In addition to its impact on metal hardening during deformation, dislocation patterning provides the microstructure information required to understand phenomena like fracture and recrystallization in metals. The Continuum Dislocation Dynamics (CDD) framework was the methodology used during the first four years, followed by the use of Discrete Dislocation Dynamics (DDD) during the fifth year. CDD is a density-based formalism of dislocation dynamics in which the plastic deformation of crystals is predicted together with the mesoscale dislocation patterns by tracking the space-time evolution of dislocations as driven by the applied stress, short-range and long-range interactions of dislocations, and cross slip. CDD is a crystal mechanics approach in which the plastic constitutive part is replaced with the equations of dislocation dynamics, which is driven by the internal stress via a mobility laws, while the evolution of the density gives the eigenstrain required to update the internal stress itself. The governing equations are thus those of crystal mechanics cast as an eigenstrain problem and those of dislocation transport and reactions. Our investigations during the first four years were driven by the hypothesis that that dislocation patterning is triggered by spatiotemporal dislocation density and internal stress fluctuations, and that such fluctuations influence the collective dislocation dynamic through their effects on the short-range reaction rates and the collective dislocation mobility. This hypothesis was tested by modeling the influence of the dislocation reactions and dislocation correlations on collective dislocation dynamics. The main research components during the first four years were: 1) Reformulation of the CDD framework to integrate the dislocation correlations and dislocation reactions. 2) Simulation of the dislocation correlations and quantifying their contribution to the long-range stress of complex dislocation systems. 3) Computational implementation of the updated CDD model for FCC single crystals and development of an efficient CDD code. 4) Investigation of dislocation patterning in FCC crystals based on the updated CDD model. Some key findings from these investigations were: 1) The patterning of dislocations is initiated by cross slip and internal stress fluctuations, and the refinement of the pattern results from junction formation. 2) Patterning is more prominent under high stress. 3) The correlation stress was found to be a significant part of the mean field stress in continuum representations of dislocation dynamics. During the last year of the project, we have established a method for performing dislocation dynamics in inhomogeneous alloys and demonstrated the impact of composition inhomogeneity on the characteristics of initial yielding and dislocation character in BCC alloys. We also tested this method using an irradiated ferritic alloy in which the composition and dislocation loops effects are both present. In doing so, we have considered two aspects of the role of inhomogeneity, the creation of internal coherency stress due to the dependence of the lattice parameter on the local composition, and the dependence of the dislocation mobility on the local composition. These two aspects resulted in an unexpected behavior of the dislocation system, and, in turn, the yielding behavior of BCC alloys. Key findings include: 1) The composition inhomogeneity in BCC alloys alters the well-known role of screw dislocations by forcing a level of waviness on the average dislocation character, thus destroying the screw character dominance in the yielding observed in pure or homogeneous BCC metals. 2) In the case of irradiated alloys, while composition inhomogeneity by itself and dislocation loops by themselves result in some hardening, the superposition of the two mechanisms does not result in the sum of the two contributions via any known rule. The latter result contradicts the classical works related hardening via multiple mechanisms, which state that various hardening mechanisms can be added linearly or using some Pythagorean additive rule. We were able to rationalize this unexpected result by a closer loop at the origin of the hardening mechanisms themselves, which both involved long-range elastic interactions with dislocations. We reached the conclusion that the hardening resulting from the total stress associated with these two mechanisms (current work) differs from the sum of the effects of the individual stress fields (classical literature). We have also found a major flaw in the classical theory of spinodal hardening. The latter theory never considered the impact of composition undulation on the solute hardening. We have built a new general theory accounting for the effect of solute friction together with the composition undulations on the dislocation configuration at Critical Resolved Shear Stress (CRSS), which is yielding a new definition of the spinodal hardening and new different results. This work is the first to recognize the lack of the role of solute in spinodal hardening theory of alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Loading direction dependence of asymmetric response of pyramidal slip in rolled AZ31 magnesium alloy

Textured magnesium alloys usually exhibit anisotropic mechanical behavior due to the asymmetric activation of different twinning and slipping modes. This work focuses on the pyramidal slip responses of rolled AZ31 magnesium alloy under two loading conditions, compressive and tensile loading along the normal direction. Under the condition where the compressive loading direction is closely parallel to the c-axis of the unit cell, tensile twinning and basal slips are prohibited, dislocations then active and tend to accumulate at grain boundaries and form dislocation walls. Meanwhile, these dislocations exhibit zigzag morphologies, which result from the cross-slip from {$10\bar{1}1$} first-order pyramidal plane to {$11\bar{2}2$} second-order pyramidal plane, then back to {$10\bar{1}1$} first-order pyramidal plane. Under the condition where tensile twins are prevalent, {$10\bar{1}1$} first-order and {$11\bar{2}2$} second-order pyramidal dislocations are favorable to be activated. Both types of dislocations behave climb-like dissociations onto the basal plane, forming zigzag dislocations. first-order pyramidal plane to second-order pyramidal plane, then back to first-order pyramidal plane. Under the condition where tensile twins are prevalent, first-order and second-order pyramidal dislocations are favorable to be activated. Both types of dislocations behave climb-like dissociations onto the basal plane, forming zigzag dislocations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Slip-free multiplication and complexity of dislocation networks in FCC metals

Abstract During plastic deformation of crystalline solids, intricate networks of dislocation lines form and evolve. To capture dislocation density evolution, prominent theories of crystal plasticity assume that 1) multiplication is driven by slip in active slip systems and 2) pair-wise slip system interactions dominate network evolution. In this work, we analyze a massive database of over 100 discrete dislocation dynamics simulations (with cross-slip suppressed), and our findings bring both of these assumptions into question. We demonstrate that dislocation multiplication is commonly observed on slip systems with no applied stress and no plastic strain rate, a phenomenon we refer to as slip-free multiplication. We show that while the formation of glissile junctions provides one mechanism for slip-free multiplication, additional mechanisms which account for the influence of coplanar interactions are needed to fully explain the observations. Unlike glissile junction formation which results from a binary reaction between a pair of slip systems, these new multiplication mechanisms require higher order reactions that lead to complex network configurations. While these complex configurations have not been given much attention previously, they account for about 50% of the line intersections in our database.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Solute effects on deformation and fracture of beta brass

It is shown that the ductility of several ternary beta brass alloys in air and in several liquid metals can be related to the operative slip and grain boundary relaxation processes. Nickel and manganese were chosen as alloying elements because they are expected to respectively enhance and suppress cross slip in beta brass. Single-phase binary and ternary beta brass alloys were used in both polycrystalline and single crystal form.

Shea, M. M.↗
NASA NTRS1980

Anisotropy of nickel-base superalloy single crystals

The effects of crystal orientation on the mechanical properties of single crystals of the nickel-based superalloy Mar-M247 are investigated. Tensile tests at temperatures from 23 to 1093 C and stress rupture tests at temperatures from 760 to 1038 C were performed for 52 single crystals at various orientations. During tensile testing between 23 and 760 C, single crystals with high Schmid factors were found to be favorably oriented for slip and to exhibit lower strength and higher ductility than those with low Schmid factors. Crystals which required large rotations to become oriented for cross slip were observed to have the shortest stress rupture lives at 760 C, while those which required little or no rotation had the longest lives. In addition, stereographic triangles obtained for Mar-M247 and Mar-M200 single crystals reveal that crystals with orientations near the -111 had the highest lives, those near the 001 had high lives, and those near the 011 had low lives.

Mackay, R. A.↗
DOE OSTI2023

Four-dimensional microstructurally small fatigue crack growth in cyclically loaded nickel superalloy specimen

Here, we nondestructively image a low-solvus high refractory (LSHR) nickel base specimen microstructure during cyclic loading to characterize crack propagation during the microstructurally small crack (MSC) growth regime. Micro-computed tomography (uCT) is used to characterize the material density and identify crack interfaces, while high-energy diffraction microscopy (HEDM) provides snapshots of the microstructural orientation field changes. From these measurements, data are computationally reconstructed and coregistered to describe the specimen’s configuration before load, before crack nucleation, and throughout the crack propagation/loading process. An MSC forms at a FIB-cut notch, which was previously placed to concentrate stress at the center of the specimen gauge, and propagates along a facet parallel to the local {1 1 1} crystallographic plane. Analysis of available crystallographic slip directions and measured point-to-point disorientation axes indicate probable single and coplanar slip activity along FCC octahedral planes within this region. Similar analyses of other crack propagation facets reveal generally slower growth along directions favoring zig-zag cross and codirectional cross slip, which are often disfavored at room temperature.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Unified constitutive model for single crystal deformation behavior with applications

Single crystal materials are being used in gas turbine airfoils and are candidates for other hot section components because of their increased temperature capabilities and resistance to thermal fatigue. Development of a constitutive model which assesses the inelastic behavior of these materials has been studied in 2 NASA programs: Life Prediction and Constitutive Models for Engine Hot Section Anisotropic Materials and Biaxial Constitutive Equation Development for Single Crystals. The model has been fit to a large body of constitutive data for single crystal PWA 1480 material. The model uses a unified approach for computing total inelastic strains (creep plus plasticity) on crystallographic slip systems reproducing observed directional and strain rate effects as a natural consequence of the summed slip system quantities. The model includes several of the effects that have been reported to influence deformation in single crystal materials, such as shear stress, latent hardening, and cross slip. The model is operational in a commercial Finite Element code and is being installed in a Boundary Element Method code.

Walker, K. P.↗
DOE OSTI2022

Kink mechanism in Cu/Nb nanolaminates explored by $\mathcal{in}$ $\mathcal{situ}$ pillar compression

We report Nano metallic laminates (NMLs) exhibit different failure modes depending on the loading conditions due to their mechanical anisotropies. Kinking is a typical failure mode in many NMLs compressed along a layer-parallel direction. However, a detailed description of the microstructure evolution during kink band (KB) formation and an in-depth understanding of the formation mechanisms are lacking. In this work, the KB process is investigated in Cu/Nb NMLs by in situ micro pillar compression in the scanning electron microscope (SEM) along a layer-parallel direction. Post-mortem S/TEM and transmission Kikuchi diffraction (TKD) analyses show that kink banding leads to significant microstructure changes characterized by an accumulation of geometrically necessary dislocations (GNDs) and of tilt geometrically necessary boundaries (GNBs) near KB boundaries (KBBs). The distinct microstructure evolution implies that KB formation is facilitated by the inhomogeneous microstructures resulting in constrained deformation modes. Specifically, dislocations active on slip planes nearly parallel to the interfaces make a major contribution to kink evolution after the onset of kinking. Once layer-parallel slip systems are activated, preexisting lattice dislocations and dislocations nucleating from interfaces will accumulate as GNDs near KBBs via the stochastic storage of lattice dislocations that have certain Burgers vectors. GNDs can further transform into GNBs via cross-slip and climb driven processes near the KBB. Furthermore, GNBs near KBBs can grow by incorporating more GNDs or by coalescence to accommodate the KB evolution. We further hypothesize that microstructural perturbations and their ensuing stresses can initiate KB formation in Cu/Nb NMLs.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Anisotropy of nickel-base superalloy single crystals

The influence of orientation on the tensile and stress rupture behavior of 52 Mar-M247 single crystals was studied. Tensile tests were performed at temperatures between 23 and 1093 C; stress rupture behavior was examined between 760 and 1038 C. The mechanical behavior of the single crystals was rationalized on the basis of the Schmid factor contours for the operative slip systems and the lattice rotations which the crystals underwent during deformation. The tensile properties correlated well with the appropriate Schmid factor contours. The stress rupture lives at lower testing temperatures were greatly influenced by the lattice rotations required to produce cross slip. A unified analysis was attained for the stress rupture life data generated for the Mar-M247 single crystals at 760 and 774 C under a stress of 724 MPa and the data reported for Mar-M200 single crystals tested at 760 C under a stress of 689 MPa. Based on this analysis, the stereographic triangle was divided into several regions which were rank ordered according to stress rupture life for this temperature regime.

Mackay, R. A.↗