Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Stacking faults”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Effects of Cr and Nb Alloying Additions on High Temperature Creep Deformation of Ni-Based Superalloys

Micro-twinning is the major creep deformation mechanism in Ni-based superalloys at temperatures above 700 C°. Recent experiments suggest that superlattice stacking faults in phase may serve as the precursors to twin formation. Segregation of alloying elements to these precursors may have a significant effect on formation and extension of micro-twins. Using atomistic modeling we investigate and explain the effects of Cr and Nb alloying additions on these processes. We consider the experimentally obtained creep curves for several Ni-based superalloys with different elemental compositions and relate the observed trends to the simulation results presented in this study. Our results help to rationalize the experimentally observed puzzling effects of elemental composition of the alloy on creep resistance.

Ni-based superalloys↗
DOE OSTI2020

Electron Microscopic Examination of an Irradiated TRISO Coated Particle of AGR-2 Experiment: AGR2-222-RS019

The transmission electron microscopic (TEM) examination of an irradiated tristructural isotropic (TRISO) coated particle from advanced gas reactor (AGR) 2 fuel Compact 2-2-2 is presented in this report. Compact 2-2-2 refers to the compact in Capsule 2 at Level 2 of Stack 2. The examination on AGR2 222 RS019 is focused on the interface between the silicon carbide (SiC) to inner pyrolytic carbon (IPyC) layer, central part of SiC, and the interface between SiC and outer pyrolytic carbon layer. The SiC grain boundary distribution and associated fission product precipitates were characterized by scanning transmission electron microscopy (STEM) energy dispersive spectroscopy (EDS), and precession electron diffraction (PED) in the transmission electron microscope. Two separate locations on SiC layer were selected for on the basis of the intact of the buffer layer in the irradiated TRISO particle. The key observation in this particle is that the compositional nature of grain boundary precipitates is more complex near IPyC/SiC layer where Pd, Pd-Ag, Pd-U containing precipitates can be observed. However, the compositions of precipitate towards outer most region of SiC mainly contain Pd. Ag has been observed in the IPyC/SiC layer in one of the two locations. Comparison of the results to previously irradiated and analyzed, Variant 3, safety tested AGR-1 TRISO particles (AGR1-433-001 and AGR1 222-RS004) showed the grain boundary distributions have some noticeable differences. The differences in coincident site lattice grain boundary and misorientation angles are possibly inherent to the fabrication process. Neutron irradiation induced void distribution has been found to be nonuniform. A high concentration of smaller voids is found at stacking faults compared to those in the SiC matrix. Larger void sizes are observed in the SiC location that is near to the broken buffer layer. This void size variation with integrity of buffer layer can potentially affect the fission product retention. However, the average void size continuously decreases along the radius of SiC in both locations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Enhancing Mechanical Properties of a Medium-Entropy Alloy by Regulating Mo Addition

Some multi-principal element alloys (MPEAs), including equiatomic, single-phase CrCoNi and CrCoFeMnNi are now widely recognized for their remarkable combinations of pronounced hardening rates, high ductility, and exceptional fracture toughness at room and cryogenic temperatures. To push the limit of hardenability of the medium-entropy alloy, the strategies associated with local lattice distortion or stacking fault energy (SFE) reduction that promote complex heterogeneity and defect dynamics require further investigation. The purposes of this study are to (1) further enhance the mechanical properties of a typical medium-entropy NiCoCr with alloying Mo, and (2) understand the strengthening mechanism of a Mo-added medium-entropy alloys.

Hung, Chang-Yu↗
DOE OSTI2025

Structure-dependent clustering-to-declustering solute segregation transitions near disconnections

Grain-boundary disconnections, characterized by a step and a dislocation, are pervasive interfacial line defects that play a critical role in governing the properties and performance of nanocrystalline alloys. Although segregation of alloying elements is frequently observed at GB disconnections, the underlying mechanisms remain poorly understood, particularly at elevated temperatures and non-dilute conditions. In this study, we employ atomistic simulations to study the segregation behavior of Ag at various faulted disconnections in Cu as a model material system. Our results demonstrate a pronounced size and compactness effect on the segregation behavior: more compact faulted disconnection structures promote the formation of Ag segregation clusters due to a highly localized tensile field, whereas more spread faulted disconnection structures (i.e., with wider partial dislocation spacing) exhibit much weaker clustering tendencies. Furthermore, with increasing temperature, Ag clustering in small disconnections initially intensifies and then disappears, indicating a thermally driven transition from clustering to declustering segregation behavior.

Disconnections↗
DOE OSTI2024

The derivation of CRSS in pure Ti and Ti-Al alloys

The work focuses on the determination of the critical resolved shear stress (CRSS) in titanium (Ti) and titanium-aluminum (Ti-Al) alloys, influenced by an array of factors such as non-symmetric fault energies and minimum energy paths, dislocation core-widths, short-range order (SRO) effects which alter the local atomic environment, and tension-compression (T-C) asymmetry affected by intermittent slip motion. To address these multifaceted complexities, an advanced theory has been developed, offering an in-depth understanding of the mechanisms underlying slip behavior. The active slip systems in these materials are basal, prismatic, and pyramidal planes, with the latter involving both $\langle$a$\rangle$ and $\langle$c + a$\rangle$ dislocations. Each slip system is characterized by distinct Wigner-Seitz cell configurations for misfit energy calculations, varying partial dislocation separation distances, and unique dislocation trajectories—all critical to precise CRSS calculations. The theoretical CRSS results were validated against a comprehensive range of experimental data, demonstrating a strong agreement and underscoring the model's efficacy.

Critical stress↗
DOE OSTI2025

3D interface size effects on slip transfer in Ti/Nb nanolaminates

Two-phase nanolaminates are well-renowned for achieving extraordinarily high strengths but at the sacrifice of reduced toughness and strain to failure. Recently ”thick” interfaces, or so called 3D interfaces, in Cu/Nb nanolaminates were experimentally shown to improve both of these mechanical properties. Here, in this work, we study the effect of 3D interfaces in the hexagonal close packed (HCP)/body centered cubic (BCC) Ti/Nb nanolaminate system. Nanoindentation hardness testing suggests increased strength with the introduction of a 3D Ti–Nb interface and a positive size effect with increases in 3D interface thickness from 5 nm to 20 nm. To understand this effect from a single dislocation perspective, we present a phase-field dislocation dynamics (PFDD) model for multi-phase HCP/BCC systems. We employ the model to simulate stress-driven transfer of single dislocations across 3D Ti/Nb interfaces of various thicknesses. Our results show that the critical stress for slip transfer increases with the thickness of the interface. This positive size effect is stronger for transfer from basal or prismatic dislocations in the Ti layer to 110$\langle$111$\rangle$ dislocations in the Nb layer than the reverse. For this Ti/Nb system, a critical thickness of 2 nm is identified at which the asymmetry in slip transfer is minimized. This work showcases 3D interfaces as a beneficial microstructure modification to strengthen as well as reduce anisotropy in nanocrystalline materials containing HCP phases.

Dislocations↗
DOE OSTI2026

Cross-slip and easy-glide CRSS in titanium: Theoretical predictions and in-situ TEM measurements

This study investigates the mechanics of prismatic and first-order pyramidal $\langle$a$\rangle$ slip in titanium (Ti), elucidating the physics of easy-glide and cross-slip through a combination of theory and experiments. Screw-character prismatic (Pr) dislocations in Ti are of particular interest because their complex cores can be stable or unstable, leading to activation by either cross-slip or planar glide. To investigate these mechanisms, site-specific micro tensile samples were prepared using focused ion beam (FIB) milling and mounted on a push-to-pull (PTP) device for in-situ transmission electron microscopy (TEM) tensile testing. The in-situ experiments provide direct observations of the onset of dislocation motion and the precise determination of the critical resolved shear stress (CRSS) for the activated mechanisms, and its evolution with load cycling. A comprehensive theory has been developed to predict the CRSS values for easy glide, cross-slip, and multiplication of dislocations. Predicted critical stresses for pyramidal (π)-to-Pr and reverse cross-slip agree closely with the experimental measurements. The latter cross-slip stress is a factor of two higher than that of unobstructed planar slip. The model accounts for overlapping dislocation cores and employs a Wigner-Seitz based cell to evaluate misfit energies. By combining ab initio density functional theory (DFT) with anisotropic elasticity, the framework identifies minimum energy pathways for dislocation glide, which can be intermittent and zig-zag. A simplified expression utilizing (π) and Pr Schmid factor ratios is proposed for critical stress corresponding to (π)-to-Pr cross-slip transition. The results are strongly dependent on crystal orientation, underscoring non-Schmid behavior. Overall, this study explores key critical stress parameters essential for informing higher-scale simulations of plasticity in Ti.

Critical stress↗
DOE OSTI2019

A phase field model for dislocations in hexagonal close packed crystals

In this work, an application of a phase field formulation suitable for modeling the motion of individual partial and full dislocations in hexagonal close packed (HCP) crystals is presented. The formulation incorporates periodic potentials for glide on the distinct HCP slip systems, which are informed here by density functional theory (DFT). The model is applied to simulate the dissociation process starting from an unstable perfect dislocation and ending at its final equilibrium structure for different slip planes and in different HCP metals. The structural characteristics that are predicted for these dislocations include the partial Burgers vectors, dissociation distances, core widths of the partials, and any asymmetries in these quantities. Mg is selected as one of the model materials since its dislocations are the most well studied and it is nearly elastically isotropic. For Mg, it is shown that the predictions for dissociation distances agree with those reported previously by atomic-scale calculations, including density functional theory, for dislocations on the basal < a >, prismatic < a >, and pyramidal type II slip systems. Furthermore, phase field model results are also presented for dislocations in Ti and Zr, which we find develop distinctively different equilibrium structures than Mg.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A microscopic and crystallographic study of proton irradiated alloy 718

Solution annealing and age hardening are important processes for achieving good engineering and chemical properties of alloy 718. The composition of alloy 718 also plays an important role as it can affect both mechanical (γ”- and γ’-phase formation) and irradiation behaviors. Therefore, in this study five different sets of alloy 718 samples with two different chemical compositions were fabricated using different processing conditions and irradiated up to 4 dpa. Based on the effects of irradiation on the microstructural data of γ”- and γ’-phases, irradiation-induced dislocation statistics, and crystallographic data, it can be inferred that the samples processed at high solution annealing temperature (1093°C) behave better under irradiation compared to the samples processed at low solution annealing temperatures (945 and 1065°C).

36 MATERIALS SCIENCE↗
DOE OSTI2024

X-ray diffraction of metastable structures from supercooled liquid hydrogen

We report time resolved observations of the crystallization from liquid hydrogen, supercooled to temperatures below the melting point, using 11.2 keV X-ray diffraction from the Linac Coherent Light Source (LCLS). Changes to the metastable solid and liquid structure factors have been dynamically measured. This allows for a direct determination of the lowest energy crystal polymorphs, the stacking probabilities, as well as the liquid and solid densities and temperatures. Such measurements provide experimental evidence of an Arrhenius-like growth kinetics along the stacking direction during supercooling.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Microstructural evolution of nanotwinned Al-Zr alloy with significant 9R phase

Aluminum (Al) alloys have a multitude of applications, notably in the automotive, aerospace and coating industries, yet they exhibit significantly lower mechanical strength than conventional steels. Nanotwins drastically improve mechanical strength while retaining ductility. However, the high SFE of Al largely prevents twinning. Here, we synthesize Al-Zr alloy films containing an abundance of incoherent twin boundaries and 9R phases. These alloys exhibit an extended solid solubility of Zr, retaining a columnar nanotwinned structure across all compositions. These films reach a hardness up to 4.2 GPa with 10 at% Zr and demonstrate the capacity for producing strong Al alloys with nanotwins.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nucleation of Dislocations in 3.9 nm Nanocrystals at High Pressure

As circuitry approaches single nanometer length scales, it has become important to predict the stability of single nanometer-sized metals. The behavior of metals at larger scales can be predicted based on the behavior of dislocations, but it is unclear if dislocations can form and be sustained at single nanometer dimensions. Here, we report the formation of dislocations within individual 3.9 nm Au nanocrystals under nonhydrostatic pressure in a diamond anvil cell. We used a combination of x-ray diffraction, optical absorbance spectroscopy, and molecular dynamics simulation to characterize the defects that are formed, which were found to be surface-nucleated partial dislocations. These results indicate that dislocations are still active at single nanometer length scales and can lead to permanent plasticity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Stacking Domain Wall Magnons in Twisted van der Waals Magnets

In this report using bilayer CrI 3 as an example, we demonstrate that stacking domain walls in van der Waals magnets can host one-dimensional (1D) magnon channels, which have lower energies than bulk magnons. Interestingly, some magnon channels are hidden in magnetically homogeneous background and can only be inferred with the knowledge of stacking domain walls. Compared to 1D magnons confined in magnetic domain walls, 1D magnons in stacking domain walls are more stable against external perturbations. We show that the relaxed moiré superlattices of small-angle twisted bilayer CrI 3 is a natural realization of stacking domain walls and host interconnected moiré magnon network. Our Letter reveals the importance of stacking domain walls in understanding magnetic properties of van der Waals magnets and extends the scope of stacking engineering to magnetic dynamics.

2-dimensional system↗
DOE OSTI2022

Degradation of Phonons in Disordered Moiré Superlattices

The elastic collective modes of a moiré superlattice arise not from vibrations of a rigid crystal but from the relative displacement between the constituent layers. Despite their similarity to acoustic phonons, these modes, called phasons, are not protected by any conservation law. Furthermore, we show that disorder in the relative orientation between the layers and thermal fluctuations associated with their sliding motion degrade the propagation of sound in the moiré superlattice. Specifically, the phason modes become overdamped at low energies and acquire a finite gap, which displays a universal dependence on the twist-angle variance. Thus, twist-angle inhomogeneity is manifested not only in the non-interacting electronic structure of moiré systems, but also in their phonon-like modes. More broadly, our results have important implications for the electronic properties of twisted moiré systems that are sensitive to the electron-phonon coupling.

2-dimensional systems↗
DOE OSTI2020

Shuffling mode competition leads to directionally anisotropic mobility of faceted Σ11 boundaries in fcc metals

Faceted grain boundaries can migrate in interesting and unexpected ways. For example, faceted Σ11 <110> tilt grain boundaries were observed to exhibit mobility values that could be strongly dependent on the direction of migration. In order to understand whether this directionally-anisotropic mobility is a general phenomenon and to isolate mechanistic explanations for this behavior, molecular dynamics simulations of bicrystals evolved under an artificial driving force are used to study interface migration for a range of boundary plane inclination angles and temperatures in multiple face centered cubic metals (Al, Ni, and Cu). We find that directionally anisotropic mobility is active in a large fraction of these boundaries in Ni and Cu and should therefore impact the coarsening of polycrystalline materials. On the other hand, no such anisotropy is observed in any of the Al boundaries, showing that this behavior is material-dependent. Migration of the faceted boundaries is accomplished through transformation events at facet nodes and incommensurate boundary plane facets, which are termed shuffling modes. Three major shuffling modes have been identified, namely Shockley shuffling, slip plane shuffling, and disordered shuffling. A shift from the first two ordered modes to the third disordered mode is found to be responsible for reducing or removing directionally-anisotropic mobility, especially at the highest temperatures studied.

36 MATERIALS SCIENCE↗