Shearing of γ′ precipitates by a〈1 1 2〉 dislocation ribbons in Ni-base superalloys: A phase field approach

The phase field model of dislocations has been used to study the propagation of dislocation ribbons with an overall Burgers vector of a〈1 1 2〉 through a simulated Ni-base superalloy. The driving force for dislocation dissociation reactions and formation of planar faults is incorporated into the free energy functional using periodic functions specially fitted to ab initio γ-surface data. The model shows that the mechanism of cutting of the γ′ precipitates by these ribbons exhibits significant dependence on stress magnitude, orientation and precipitate shape. In the case of mixed screw–edge ribbons a change of shearing mode is observed, from stacking fault shear to anti-phase boundary shear, when the applied stress approaches the yield of the material. This transition is absent in pure edge ribbons.     

The ϵ → η → θ transition in 100Cr6 and its effect on mechanical properties

Low-temperature precipitation reactions in 100Cr6 are characterized using transmission electron microscopy and X-ray diffraction, and modelled using thermokinetic methods. Martensitically transformed 100Cr6 is shown to display a complex microstructure composed of plate martensite, primary carbides, retained austenite and one or more of the ?-, η- and θ-phases. It is demonstrated that the maximum tensile strength (in excess of 2 GPa) and ductility is achieved by the θ-phase and the maximum yield strength is found during the α′ + η → α′ + θ transition. The interplay between the amount of carbon in solid solution, the martensite tetragonality and its morphology are related to the precipitate/matrix strain energy, the precipitate species present and their morphology. The progress in precipitate volume fraction, average radius, particle number and matrix composition can be quantitatively described by performing multicomponent precipitation kinetics calculations in paraequilibrium incorporating: (i) the effects of precipitate/matrix lattice misfit strain and particle aspect ratio, (ii) nucleation at plate boundaries and dislocations and (iii) an appropriate value for the precipitate/matrix interfacial energy, which is the only parameter fitted in the calculation.     

Transformation from glassy + β-Zr to glassy + icosahedral structure in Zr-based alloy

The phase transformation of the mixed “glassy + submicron β-Zr solid solution particles” structure in Zr₆₅Ni₁₀Al_7.5Cu_7.5Ti₅Nb₅ on heating is studied. bcc β-Zr solid solution particles dissolve in the glassy phase while the nanoscale particles of the icosahedral phase precipitate after the completion of the first exothermic reaction.     

Texture changes in the hcp → bcc → hcp transformation of zirconium studied in situ by neutron diffraction

The crystallographic texture of hot-rolled polycrystalline zirconium has been studied below and above the hcp–bcc transition temperature with HIPPO, the new time-of-flight neutron diffractometer at Los Alamos Neutron Science Center, making use of the multidetector capabilities and a vacuum furnace. Incomplete pole figures were extracted from diffraction spectra to determine the orientation distribution function and recalculate complete pole figures in situ at various temperatures. The texture analysis reveals that the orientation of grains in the new high-temperature (bcc) phase is related to the texture of the low-temperature (hcp) phase by Burgers relation, but with both an orientation selection and a symmetry variant selection. The cubic transformation texture is best explained if we assume preferential nucleation of the bcc phase in the hcp grain orientations that are most subject to mechanical twinning. After cooling, the new hcp texture closely resembles the original texture. Thermal cycling repeats this process with slight strengthening of the texture. The hexagonal transformation texture (after cooling) may be caused by nucleation and growth of untransformed domains or through variant selection by stresses imposed by neighboring grains.     

Atomistic structure of the Cu(1 1 1)/α-Al2O3(0 0 0 1) interface in terms of interatomic potentials fitted to ab initio results

We propose an atomistic model to describe the copper/sapphire interface by means of simple interatomic potentials involving only a few fitting parameters. Successful results are achieved when the copper atoms in the monatomic layer closest to the interface have properties different from the bulk. This layer is to accommodate the ionic/covalent bonding in the ceramics to the metallic bonding in copper. For an oxygen terminated interface, we fit the parameters of the potentials to the results of a rigid tensile test (explained in the text) simulated from first principles. The results of atomic relaxation near the interface are shown to be consistent with ab initio and experimental results available in the literature. Calculations reveal highly interesting relaxation dynamics near the interface. In the early stage of relaxation, a periodic network of partial misfit dislocations is formed, which later transforms into an irregular network due to the instability of the layer of copper atoms atop the oxygen atoms. This explains the interface incoherency observed in high-resolution electron microscopy. Calculations based on the FK model reproduce this effect.     

Stress-driven migration of symmetrical 〈1 0 0〉 tilt grain boundaries in Al bicrystals

Stress-induced migration of planar grain boundaries in aluminum bicrystals was measured for both low- and high-angle symmetrical 〈1 0 0〉 tilt grain boundaries across the entire misorientation range (0–90°). Boundary migration under a shear stress was observed to be coupled to a lateral translation of the grains. Boundaries with misorientations smaller than 31° and larger than 36° moved in opposite directions under the same applied external stress. The measured ratios of the normal boundary motion to the lateral displacement of grains are in an excellent agreement with theoretical predictions. The coupled boundary motion was measured in the temperature range between 280 and 400 °C, and the corresponding activation parameters were determined. The results revealed that for mechanically induced grain-boundary motion there is a misorientation dependence of migration activation parameters. The obtained results are discussed with respect of the mechanism of grain-boundary motion.     

Dislocation–grain boundary interaction in 〈1 1 1〉 textured thin metal films

The interaction of lattice dislocations with symmetrical and asymmetrical tilt grain boundaries in 〈1 1 1〉 textured thin nickel films was investigated using atomistic simulation methods. It was found that the misorientation angle of the grain boundary, the sign of the Burgers vector of the incoming dislocation and the exact site where the dislocation meets the grain boundary are all important parameters determining the ability of the dislocation to penetrate the boundary. Inclination angle, however, does not make an important difference on the transmission scenario of full dislocations. Only limited partial dislocation nucleation was observed for the investigated high-angle grain boundary. The peculiarities of nucleation of embryonic dislocations and their emission from tilt grain boundaries are discussed.     

Characterization of corrosion products formed on Ni 2.4 wt%–Cu 0.5 wt%–Cr 0.5 wt% weathering steel exposed in marine atmospheres

Weathering steel manufactured with high concentrations of copper (0.5 wt%), chromium (0.5 wt%) and nickel (2.4 wt%) was studied with the aim of furthering knowledge on corrosion product characterization and performance in marine environments. Specimens exposed for two years in a rural atmosphere and two marine environments were characterized by optical microscopy, SEM/EDS, XRD and Raman spectroscopy and corrosion rates measured. The main phases found were ferrihydrite, maghemite and goethite in the inner corrosion layer, and lepidocrocite in the outer layer. Cu and Ni were homogeneously distributed while Cr tended to be concentrated in the inner layer.     

Epitaxial Ni–Mn–Ga/MgO(1 0 0) thin films ranging in thickness from 10 to 100 nm

Thin films of Ni–Mn–Ga alloy ranging in thickness from 10 to 100 nm have been epitaxially grown on MgO(1 0 0) substrate. Temperature-dependent X-ray diffraction measurements combined with room-temperature atomic force microscopy and transmission electron microscopy highlight the structural features of the martensitic structure from the atomic level to the microscopic scale, in particular the relationship between crystallographic orientations and twin formation. Depending on the film thickness, different crystallographic and microstructural behaviours have been observed: for thinner Ni–Mn–Ga films (10 and 20 nm), the L2₁ austenitic cubic phase is present throughout the temperature range being constrained to the substrate. When the thickness of the film exceeds the critical value of 40 nm, the austenite-to-martensite phase transition is allowed. The martensitic phase is present with the unique axis of the pseudo-orthorhombic 7M modulated martensitic structure perpendicular to the film plane. A second critical thickness has been identified at 100 nm where the unique axis has been found both perpendicular and parallel to the film plane. Magnetic force microscopy reveals the out-of-plane magnetic domain structure for thick films. For the film thickness below 40 nm, no magnetic contrast is observed, indicating an in-plane orientation of the magnetization.     

Thermal stability of Al1−xInxN (0 0 0 1) throughout the compositional range as investigated during in situ thermal annealing in a scanning transmission electron microscope

The thermal stability of Al_1?xIn_xN (0 ? x ? 1) layers was investigated by scanning transmission electron microscopy (STEM) imaging, electron diffraction, and monochromated valence electron energy loss spectroscopy during in situ annealing from 750 to 950 °C. The results show two distinct decomposition paths for the layers richest in In (Al_0.28In_0.72N and Al_0.41In_0.59N) that independently lead to transformation of the layers into an In-deficient, nanocrystalline and a porous structure. The In-richest layer (Al_0.28In_0.72N) decomposes at 750 °C, where the decomposition process is initiated by In forming at grain boundaries and is characterized by an activation energy of 0.62 eV. The loss of In from the Al_0.41In_0.59N layer was initiated at 800 °C through continuous desorption. No In clusters were observed during this decomposition process, which is characterized by an activation energy of 1.95 eV. Finally, layers richest in Al (Al_0.82In_0.18N and Al_0.71In_0.29N) were found to resist thermal annealing, although the initial stages of decomposition were observed for the Al_0.71In_0.29N layer.     

Glass-like thermal conductivities in (La1-x1Yx1)2(Zr1-x2Yx2)2O7-x2 (x = x1 + x2, 0 ⩽ x ⩽ 1.0) solid solutions

The evolution of structure and thermal conductivity (k) has been studied for a range of Y–La₂Zr₂O₇ solid solutions. Within the pyrochlore range (x < 0.40) Y³⁺ solely substitutes for La³⁺ below a critical composition factor (x = 0.15), above which it substitutes for both La³⁺ and the Zr⁴⁺. A glass-like k, approaching the amorphous limit, is observed within a certain composition range (0.20 ? x < 0.40). The glass-like k behaviour is attributed to a phonon localization effect that arises from small and weakly bound Y³⁺ cations (rattlers) oscillating locally and independently in oversized anionic cages [(La/Y)O₈]. The ultralow and glassy k makes Y³⁺-doped La₂Zr₂O₇ pyrochlores promising candidate materials for high temperature thermal barrier coating topcoats.     

Microband evolution during large plastic strains of stable {1 1 0}〈1 1 2〉 Al and Al–Mn crystals

The deformation microstructures of Al and Al–Mn {1 1 0}〈1 1 2〉 single crystals have been characterized after room temperature channel-die compression up to true strains of 2.1. The evolution of local misorientations and microband structures were quantified by high-resolution electron backscatter diffraction in a field emission gun scanning electron microscope and their alignments compared with the traces of active slip planes and macroscopic shear stress planes. During plane-strain compression these “Brass” oriented crystals remain stable in terms of the final, average, orientation, with a small orientation spread. However, the microband alignment varies with strain and also with solute content. There is a general tendency for the microbands to be both crystallographic and non-crystallographic at low strains, then crystallographic, and finally mixed again at high strains (with some lamellar banding).     

The influence of rolling temperature on texture evolution and variant selection during α → β → α phase transformation in Ti–6Al–4V

The role of starting texture in variant selection has been studied during α → β → α transformation in Ti–6Al–4V. By hot rolling at different temperatures followed by recrystallization, material with either a strong basal texture or a strong transverse texture was generated. Subsequently, both conditions were heat-treated above the β transus followed by slow cooling. The degree of variant selection was assessed by comparing the strength of the measured and predicted α texture from high temperature β texture, assuming equal occurrence of all possible variants during β → α transformation. It was found that, even though the material rolled originally at 800 °C displayed a stronger α texture after β heat treatment, it was the material rolled originally at 950 °C that showed greater variant selection. The variant selection mechanism is discussed in terms of the generated β texture and common 〈1 1 0〉 poles in neighbouring β grains selecting a similar α variant on both sides of the prior β grain boundary. Predictions of possible 〈1 1 0〉 pole misorientation distributions for the two investigated β textures showed that the combination of texture components generated during rolling Ti–6Al–4V at 950 °C increases the likelihood of having β grain pairs with closely aligned (1 1 0) planes compared to rolling at 800 °C. Therefore, it can be proposed that avoiding the generation of certain combinations of β texture components during thermomechanical processing has the potential for reducing variant selection during subsequent β heat treatment.