Investigation of jog motion in γ-TiAl via molecular dynamics

The elastic displacement field of a jogged screw dislocation is obtained analytically from Burgers equation. With this analytic solution, a pair of jogs in a screw dislocation is implemented into molecular-dynamics simulations. The dislocation line bows out between two jog pinning points and breaks away when the line tension of the dislocation exceeds a certain critical value. The creation of vacancies and interstitials is observed during the non-conservative motion of the jogged screw dislocation in γ-TiAl. The structures of vacancies and interstitials are discussed.     

Surface effect on the screw dislocation mobility over the Peierls barrier

The effect of the image force on the Peierls stress (τ _p ) of a screw dislocation below a free surface is studied via a self-consistent semidiscrete variational Peierls–Nabarro model. The consequence of reduction in elastic energy and increase in stacking fault energy by the presence of the free surface is found to additively increase the Peierls stress (τ _p ). This model gives a physical interpretation of the same tend observed in a recent molecular dynamic study, while previous continuum analysis predicted the opposite.     

Misfit disclinations and dislocations at crystal-glass interfaces

A theoretical model is suggested which describes misfit defect structures at crystal-glass interfaces. In the framework of the model the two basic types of misfit defect are distinguished: misfit disclinations (generated as extensions of parent disclinations present in the adjacent glassy phase) and 'dilatation' misfit dislocations (contributing to accommodation of the dilatation misfit associated with difference between the characteristic interatomic distances in the adjacent crystalline and glassy phases). The elastic energy density of crystal-glass interfaces is estimated.     

Atomistic calculation of the interaction between an edge dislocation and a free surface

By using molecular statics, we compute the variation in the excess energy associated with the gradual approach of an edge dislocation towards the free surface of a crystal. The calculations rely on a phenomenological potential adapted to aluminium and an appropriate constraint procedure that allows investigations of both the extended and the perfect configurations of the dislocation core. Thereby, an estimation of the energy required for the introduction of a dislocation in a thin film is obtained.     

Dislocation multiplication in bcc molybdenum: A dislocation dynamics simulation

Plastic deformation of Mo single crystals is examined by direct simulation of dislocation dynamics under stress. Initial dislocation populations are made to mimic real dislocation microstructures observed in transmission electron microscopy cross-sections of pure annealed Mo single crystals. No a priori sources for dislocation multiplication are introduced, and yet multiplication takes place through a sequence involving aggregation of grown-in superjogs, bowing of screw dislocation segments and fast lateral motion of edge segments, producing a large number of elongated loops and a characteristic cross-grid pattern of screw dislocations.     

The Peierls-Nabarro model revisited

We re-examine two important issues within the Peierls-Nabarro model, which are critical in obtaining accurate values for the Peierls stress. The first is related to the sampling scheme (double versus single counting) of the misfit energy across the glide plane and the second is the effect of atomic relaxation on the Peierls stress. We argue that the double-counting scheme is physically more appropriate. An analytical formula is derived for the Peierls stress of dislocations in alternating lattices. The atomic relaxation is shown to play an important role on the Peierls stress for narrow dislocations.     

Observation of strain distributions in partially relaxed In0.2Ga0.8As on GaAs using electron channelling contrast imaging

Electron channelling contrast imaging (ECCI) has been used to image misfit dislocations between single epitaxial layers (epilayers) of In0.2Ga0.8As grown on GaAs (001). Bulk specimens of the as-grown material were examined over a range of epilayer thickness from 25 to 3000 nm. Spectral analysis of ECCI intensity traces was used to establish whether strain fields from the individual dislocations overlapped. Significant overlapping of strain fields was first observed at an epilayer thickness of 100 nm which corresponds well to the onset of macroscopic strain relaxation.     

Dislocation formation in the partially coherent interfaces of an embedded layer in a semi-infinite matrix

The formation of two misfit edge dislocations is theoretically investigated in the interfaces of a layer embedded in a semi-infinite matrix. Assuming the matrix–layer interfaces are partially coherent, the energy variation resulting from the formation of the dislocations from the lateral free surface of the structure has been determined in the shearing stress field due to the partial misfit. The mechanical stability of the structure is analysed with respect to the dislocation formation as a function of the size of the coherent region of the interface and the misfit strain.     

Long-term natural ageing of a dissociated dislocation in a Cu-13.43 at.% Al alloy

The nature of impurity-dislocation interactions is one of the key questions governing the strength and plasticity of solid-solution materials. To investigate the influence of impurities on the mechanical properties of intermetallic NiAl, the electronic structure and energy of NiAl with a <100>{010} edge dislocation and transition-metal impurities was calculated using the real-space tight-binding linear muffin-tin orbital method. The localized electronic states, appearing in the core of the dislocation, are found to lead to strong impurity-dislocation interactions via two mechanisms: firstly, chemical locking, due to strong hybridization between impurity electronic states and dislocation localized states; secondly, electrostatic locking, due to long-range charge oscillations caused by the electron localization in the dislocation core. The results obtained explain qualitatively why the solid-solution hardening effect in NiAl correlates with the electronic structure of impurities rather than with size misfit, as expected according to traditional views.     

Characterization of room-temperature plastic deformation of ß-Si3N4 by atomic force microscopy and transmission electron microscopy

Dislocation microstructures induced by room-temperature microhardness tests have been investigated in silicon nitride. Surface analysis of the residual indent by atomic force microscopy reveals intragranular slip bands and demonstrates that room-temperature plastic deformation involves dislocation motion as well as cross-slip events. Cross-slip events have been found to occur between {1010} prismatic planes. Transmission electron microscopy shows that dislocations have a Burgers vector b = [0001] and are located along the screw direction. Based on these observations, specific dislocation core configurations are discussed.     

HRTEM observation of interfacial dislocations at faceted Al–Pb interfaces

Al–Pb ribbons containing 1?at.%?Pb have been produced by melt-spinning and subsequently investigated by high-resolution transmission electron microscopy. It is shown that the lattice mismatch of about 22% between the nanometre-sized Pb inclusions and the surrounding Al matrix is accommodated by a periodic array of misfit dislocations at the Al–Pb interface. The closing failures of Burgers circuits drawn around misfit dislocations on {111} and {100} facets identify the corresponding Burgers vectors as (a ₀/4)? 211 ? and (a ₀/2)? 110?, respectively. The Burgers vector of (a ₀/4)? 211? corresponds to the projected edge part of a 60° (a ₀/2)? 110? dislocation. The Pb inclusions themselves appear to be free of defects.     

The orientation and temperature dependences of dislocation velocity in Ni 3 Al single crystals

The average velocities of screw dislocations in Ni 3 Al single crystals have been directly measured as a function of resolved shear stress (RSS) and orientation in the temperature domain of the flow stress anomaly using the etch-pit technique. The velocity was found to be extremely sensitive to the RSS in all cases. In contrast with ordinary metals, the screw dislocation velocities in Ni 3 Al show anomalous behaviour; under a constant RSS, the velocities decrease dramatically with increasing temperature. Furthermore, the velocities and the tension-compression asymmetry of the velocities depend on the orientation of applied stress.     

Threading dislocation with b=c+2a in 4H-SiC as determined by LACBED

The Burgers vectors of the so-called threading screw dislocations (a total of 28 dislocations) in 4H-SiC were determined by large-angle convergent-beam electron diffraction. A new type of TSD, that is, b = c + 2a dislocation, was identified. Thus, all of the four types of TSD predicted by Onda et al. [Phil. Mag. Lett. 93 (2013) p.591] were identified.     

Crystal growth and defect study of BiSbTe3

BiSbTe₃ single crystals have been grown by the Bridgman technique. Microscopic observations of the as-grown crystals reveal typical features, such as striations on the top free surface, which are attributed to the effect of growth conditions. A nitric-acid-based reagent capable of revealing dislocations has been developed and tested. Etch pits are produced at the dislocation sites, but some discrepancies have been observed on matched cleavage surfaces. The structural difference between the matched cleavage surfaces is discussed.     

Phase field microelasticity theory of dislocation dynamics in a polycrystal: Model and three-dimensional simulations

A three-dimensional multidislocation system in a polycrystal under applied stress is treated as a particular case of the phase field microelasticity theory of multivariant stress-induced martensitic transformations in polycrystals. This approach reduces the problem of the evolution of a dislocation system to a solution of the nonlinear integrodifferential Ginzburg-Landau equation. In this formalism, the elastic interaction between dislocations and the elastic coupling between grains are taken into consideration through exact analytical solution of the elasticity problem. The dislocation reactions, such as multiplication and annihilation, are taken into account automatically. The dislocations are 'free' to choose the optimal evolution path. Examples of three-dimensional computer simulations are considered.     

Deformation mechanism of long-period TiAl 2

The microstructure of long-period TiAl 2 deformed at room temperature has been studied by means of transmission electron microscopy. Dislocations, stacking faults and twins were found to contribute to the deformation. A screw superdislocation with Burgers vector d 110] dissociates into two ½ d 110] super-partial dislocations associated with an antiphase boundary. The ½; d 110] super-partial dislocation further dissociates into two Shockley partial dislocations associated with a portion of complex intrinsic stacking fault on the closest-packed {111} plane. The propagation of stacking faults on successive {111} planes yields an order twin.     

Modelling of irradiation-induced hardening in metals using dislocation dynamics

A new simulation technique (three-dimensional dislocation dynamics) enabling the capture of a hardening effect in metals due to irradiation is reported. When bombarded with high-energy particles, metals accrue internal damage. In irradiated Pd, for example, damage takes the form of interstitial loops. Such loops are nano-sized and typically have a high number density. The stress field of a loop is given from dislocation theory. It is shown here the hardening is due to the elastic interaction of gliding dislocations with a high number of spatially dispersed interstitial loops. Results are found to correlate well with experiments.     

Experimental evidence of relaxation arising from the motion of geometrical kinks on screw dislocations in iron

Abstract

Internal friction measurements with a superimposed bias stress have provided evidence for geometrical kink migration on screw dislocations in iron. This intrinsic process causes a relaxation phenomenon in internal friction which has been identified with the occurrence of a subpeak (below 20 K) of the α-peak. The effect of different bias stress has allowed us to evaluate the kink migration energy, E ^m _k ? 0·001eV.