Simulation of the process of deformation-induced destruction of long-range order in alloys with an L12 superstructure

Plastic-deformation-induced destruction of long-range order in alloys with an L1₂ superstructure is considered. A mathematical model is suggested which takes into account the following mechanisms that lead to the destruction of long-range order: generation of superdislocations, generation of single dislocations, multiplication of antiphase boundaries (APBs) upon the conservative motion of dislocations, multiplication of APBs upon dislocation climb, formation of APB tubes on superdislocations, generation of point defects, and thermal ordering. A mathematical model of deformation strengthening and long-range order destruction with allowance for the change in the type of shear-forming dislocations from superdislocations to single dislocations is formulated.     

Surface stress mediated image force and torque on an edge dislocation

The proximity of interfaces gives prominence to image forces experienced by dislocations. The presence of surface stress alters the traction-free boundary conditions existing on free-surfaces and hence is expected to alter the magnitude of the image force. In the current work, using a combined simulation of surface stress and an edge dislocation in a semi-infinite body, we evaluate the configurational effects on the system. We demonstrate that if the extra half-plane of the edge dislocation is parallel to the surface, the image force (glide) is not altered due to surface stress; however, the dislocation experiences a torque. The surface stress breaks the ‘climb image force’ symmetry, thus leading to non-equivalence between positive and negative climb. We discover an equilibrium position for the edge dislocation in the positive ‘climb geometry’, arising due to a competition between the interaction of the dislocation stress fields with the surface stress and the image dislocation. Torque in the climb configuration is not affected by surface stress (remains zero). Surface stress is computed using a recently developed two-scale model based on Shuttleworth’s idea and image forces using a finite element model developed earlier. The effect of surface stress on the image force and torque experienced by the dislocation monopole is analysed using illustrative 3D models.     

The interaction of dislocation loop and γ' precipitate in nickel based alloys

The nucleation and growth of interstitial loops during irradiation has a : ontrolling effect on the subsequent swelling behaviour of metals. In nickel based alloys containing ordered γ' precipitate (Ni₃Al, Ti), interactions occur between the nucleated loops and γ' particles. This effect has been studied in two nickel based alloys using a High Voltage Electron Microscope.

For the case of Nimonic 80A alloy containing 18% volume fraction : gamma;' precipitate, dislocation loop-particle interactions obeyed the developed isotropic elasticity theory.²'³'¹² Consequently, rather low dislocation densities were developed and the swelling resistance was high during electron irradiation. In Nimonic 115A alloy, loop nucleation and growth was dependent on the availability of interfacial dislocation surrounding the γ' particles.

With regard to the swelling behaviour of γ' hardened alloys, it : s concluded that several mechanisms contribute to make these materials resistant.

Coherency strains at the γ' particles reduce the density of : limbing dislocations.

The γ' precipitate affects the climb efficiency of the : ucleated dislocations by:

pinning the dislocation line, thus introducing a line tension force : hich opposes dislocation climb and reduces swelling;

reducing the available volume of material in which dislocation loops : an nucleate and grow.     

Structural singularities of the Eu2+-doped spatially coherent [KBr0.097I0.903](0.348):[KBr0.459Cl0.511I0.030](0.652) composite as seen under the epifluorescence optical microscopy

Large crystal growths of the Eu²⁺-doped spatially coherent [KBr_0.097I_0.903](0.348):[KBr_0.459Cl_0.511I_0.030](0.652) composite were characterized by X-ray diffraction and then studied by epifluorescence optical microscopy. Doping Eu²⁺ ions were observed to prefer sites located at certain linear structural singularities of the composite matrix to be segregated at. These singularities (2.1?×?10⁷?singularities?cm^?2), identified as crystal lattice dislocations, were found to be distributed within the composite matrix so that they form periodic arrays of linear structural singularities (1.8?×?10⁴?singularities?cm^?1). These arrays, identified as grain sub-boundaries, were found to envelope individual structural domains (1–5?µm in size) of either KBr_0.459Cl_0.511I_0.030:Eu²⁺ or KBr_0.097I_0.903:Eu²⁺. These domains were found to aggregate among themselves to form the whole composite building. Small misfit angles (e.g. 7′?±?1′ and 10′?±?1′) characterize homo-phase structural domains while large misfit angles are characteristic of hetero-phase structural domains. Crystal lattice dislocations, forming the grain sub-boundaries, were found to present, as structural features, kinks and bifurcation points. The spatial configurations adopted by two of these features are carefully described.     

Diffusive fluxes associated with interfacial defeet motion and interaction

The diffusional flux associated with the motion of interfacial defects is described by an equation expressed in terms of the topological parameters which characterise defects, namely their Burgers vectors and step heights, the defect velocity and the concentration of each atomic species in the two adjacent crystals. This expression demonstrates that glide/climb behaviour of grain boundary defects is analogous to motion of dislocations in single crystals; climb motion results if a component of b is perpendicular to the interface plane. However, the situation is more complex in the case of interphase interface defects, but the present approach, which considers the step and dislocation portions of defects separately, enables a straightforward analysis. Several examples are illustrated to show the various possibilities, such as climb motion even when b is parallel to the interface, and glide motion when b is not. The latter case arises in martensitic transformation where the existence of an invariant-plane-strain relation at the interface leads to equal and opposite fluxes to the step and dislocation portions of transformation defects so that overall the motion is diffusionless.Interfacial processes involve the motion and interaction of defects. The present analysis facilitates the consideration of diffusive fluxes associated with defect interaction since the step and dislocation portions can be treated independently. A general expression is derived for the total flux arising, and a particular case, the interaction of transformation dislocations with crystal dislocations which have reached the interface during lattice-invariant deformation in martensite formation, is considered.     

Dislocations and mechanical properties of icosahedral quasicrystals

In this article we interpret the mechanical properties of icosahedral quasicrystals with the dislocation theory. After having defined the concept of dislocation in a periodic crystal, we extend this notion to quasicrystals in the 6-dimensional space. We show that perfect dislocations and imperfect dislocations trailing a phason fault can be defined and observed in transmission electron microscopy (TEM). In-situ straining TEM experiments at high temperature show that dislocations move solely by climb, a non-conservative motion-requiring diffusion. This behavior at variance with that of crystals which deform mainly by glide is explained by the atypical nature of the atomic structure of icosahedral quasicrystals.     

Interactions between clusters of self-interstitial atoms via a conservative climb in BCC–Fe

We conduct kinetic Monte Carlo simulations for the conservative climb motion of a cluster of self-interstitial atoms (SIAs) towards another SIA cluster in BCC–Fe; the conservative climb velocity is inversely proportional to the fourth power of the distance between them, as per the prediction based on Einstein’s equation. The size of the climbing cluster significantly affects its conservative climb velocity, while the size of the cluster that originates the stress field does not. The activation energy for the conservative climb is considerably greater than that derived in previous studies and strongly dependent on the climbing cluster size. The results presented in this study are the atomistic evaluation of the behaviour of SIA clusters through three-dimensional motion, which cannot be achieved using molecular dynamics techniques alone.     

Dislocation dynamics in multiwalled carbon nanotubes at high temperatures

Dislocation dynamics dictate the mechanical behavior of materials. Dislocations in periodic crystalline materials have been well documented. On the contrary, dislocations in cylindrical carbon nanotubes, particularly in multiwalled carbon nanotubes (MWCNTs), remain almost unexplored. Here we report that a room temperature 1/2<0001> sessile dislocation in a MWCNT becomes highly mobile, as characterized by its glide, climb, and the glide-climb interactions, at temperatures of about 2000 degrees C. The dislocation glide leads to the cross-linking of different shells; dislocation climb creates nanocracks; and the interaction of two 1/2<0001> dislocations creates kinks. We found that dislocation loops act as channels for mass transport. These dislocation dynamics are drastically different from that in conventional periodic crystalline materials due to the cylindrical, highly anisotropic structures of MWCNTs.     

The mechanism of the recrystallization process in epitaxial GaN under dynamic stress field: atomistic origin of planar defect formation

The mechanism of the recrystallization in epitaxial (0001) GaN film, introduced by the indentation technique, is probed by lattice dynamic studies using Raman spectroscopy. The recrystallized region is identified by micro‐Raman area mapping. ‘Pop‐in’ bursts in loading lines indicate nucleation of dislocations and climb of dislocations. These processes set in plastic motion of lattice atoms under stress field at the center of indentation for the initiation of the recrystallization process. A planar defect migration mechanism is evolved. A pivotal role of vacancy migration is noted, for the first time, as the rate‐limiting factor for the dislocation dynamics initiating the recrystallization process in GaN. Copyright © 2009 John Wiley & Sons, Ltd.     

Effects of Al concentration and resulting long-period superstructures on the plastic properties at room temperature of Al-rich TiAl single crystals

The role of Al₅Ti₃ and h-Al₂Ti long-period superstructures on the plastic properties of TiAl at room temperature is investigated on five single crystals with aluminium content comprised between 54.7 at.%, and 62.5 at.%. After annealing at 1200°C for 1?h, the Al₅Ti₃ superstructure develops in the L1₀ (γ) matrix upon increasing Al concentration except for Ti–62.5 at.%Al where h-Al₂Ti substitutes for Al₅Ti₃. The CRSS for <110]{111} first increases abruptly with the development of the Al₅Ti₃-type ordering. Then, the CRSS reaches a plateau at which dislocations assemble in groups of four to prevent extra anti-phase boundary (APB) from being engendered during glide throughout the Al₅Ti₃ phase. In Ti–62.5 at.%Al, the CRSS for ordinary slip further increases upon the precipitation of h-Al₂Ti in the L1₀ phase, whereas it decreases when the crystal is fully transformed into single-phased Al₅Ti₃. <101] superlattice dislocations are primarily activated under both the [210] and [1?1?8.6] load orientations irrespective of the Al concentration, but the dislocation microstructure strongly depends on orientation as well as on the degree of Al₅Ti₃ ordering. In the [210] orientation, the frequency of the decomposition of <101] dislocations into 1/2<110] and 1/2<112] dislocations decreases abruptly with the development of Al₅Ti₃. This is interpreted in terms of the increased difficulty to move ordinary dislocations. Under the [1?1?8.6] orientation, the density of faulted dipoles diminishes remarkably with the development of Al₅Ti₃. This is consistent with the transformation of the low energy extrinsic stacking fault of the L1₀ phase into a higher energy complex extrinsic stacking fault.     

Degradation of DH lasers caused by growth of dislocation networks

The features of the process of rapid degradation of (GaAl) As-GaAs DH lasers are discussed. The existing models for dislocation networks growth during the device operation are critically analysed. A new approach to the mechanism of degradation is proposed according to which the dislocation dipoles in the active layer of the device develop by conservative climb due to the pipe diffusion along helical dislocations.     

Dislocation mechanism for transformation between cubic ice Ic and hexagonal ice Ih

Cubic ice I_c is metastable, yet can form by the freezing of supercooled water, vapour deposition at low temperatures and by depressurizing high-pressure forms of ice. Its structure differs from that of common hexagonal ice I_h in the order its molecular layers are stacked. This stacking order, however, typically has considerable disorder; that is, not purely cubic, but alternating in hexagonal and cubic layers. In time, stacking-disordered ice gradually decreases in cubicity (fraction having cubic structure), transforming to hexagonal ice. But, how does this disorder originate and how does it transform to hexagonal ice? Here we use numerical data on dislocations in hexagonal ice I_h to show that (1) stacking-disordered ice (or I_c) can be viewed as fine-grained polycrystalline ice with a high density of extended dislocations, each a widely extended stacking fault bounded by partial dislocations, and (2) the transformation from ice I_c to I_h is caused by the reaction and motion of these partial dislocations. Moreover, the stacking disorder may be in either a higher stored energy state consisting of a sub-boundary network arrangement of partial dislocations bounding stacking faults, or a lower stored energy state consisting of a grain structure with a high density of stacking faults, but without bounding partial dislocations. Each state transforms to I_h differently, with a duration to fully transform that strongly depends on temperature and crystal grain size. The results are consistent with the observed transformation rates, transformation temperatures and wide range in heat of transformation.     

Electron microscopy observations of pretransition effects in alloys

A number of alloy systems show structural modifications upon approaching a phase transition. This can be an ordering (or disordering) effect or a deformation modulation. High-resolution electron microscopy allows one to deduce significant information on the transformation process. Examples considered are Co-Pt and Cu₃Pd for the ordering alloys and Ni—Al where ‘tweed’ shows a prefiguration of the martensite product.     

Climb via vacancy diffusion of edge dislocations in 2D dislocation microstructures

The prevention of strength degradation of components is one of the great challenges in solid mechanics. In particular, at high temperatures material may deform even at low stresses, a deformation mode known as deformation creep. One of the microstructural mechanisms that governs deformation creep is dislocation motion due to the absorption or emission of vacancies, which results in motion perpendicular to the glide plane, called dislocation climb. However, the importance of the dislocation network for the deformation creep remains far from being understood. In this study, a climb model that accounts for the dislocation network is developed, by solving the diffusion equation for vacancies in a region with a general dislocation distribution. The definition of the sink strength is extended, to account for the contributions of neighbouring dislocations to the climb rate. The model is then applied to dislocation dipoles and dislocation pile-ups, which are dense dislocation structures and it is found that the sink strength of dislocations in a pile-up is reduced since the vacancy field is distributed between the dislocations. Finally, the importance of the results for modelling deformation creep is discussed.     

Mechanisms of high-temperature creep of nickel-based superalloys under low applied stresses

[001] single-crystal specimens of the superalloys CMSX-4 and CMSX-10 were tested for creep at 1100°C under tensile stresses between 105 and 135?MPa, where they show pronounced steady creep. The deformed superalloys were analysed by density measurements, scanning electron microscopy and transmission electron microscopy which supplied information about porosity growth, evolution of the γ–γ′ microstructure, dislocation mobility and reactions during creep deformation. It is shown that, under the testing conditions used, steady creep strain mostly results from transverse glide–climb of (a/2) ?011? interfacial dislocations. A by-product of the interfacial glide–climb are vacancies which diffuse along the interfaces to growing pores or to a ?100? edge dislocations climbing in the γ′ phase. Climb of a ?100? dislocations in the γ′ phase is a recovery mechanism which reduces the constraining of the γ phase by the γ′ phase, thus enabling further glide of (a/2) ?011? dislocations in the matrix. Moreover the γ′ dislocations act as vacancy sinks facilitating interfacial glide–climb. The creep rate increases when the γ–γ′ microstructure becomes topologically inverted; connection of the γ′ rafts results in extensive transverse climb and an increase of the number of a?100? dislocation segments in the γ′ phase.     

The electronic and magnetic properties of the 3d transition metal intercalates of TiS2

The introduction of 3d transition metals (M) into the van der Waals gaps between the weakly coupled layers of transition metal dichalcogenides TX₂ (T:transition metal, X:chalcogen) produces an interesting family of intercalation compounds, M _x TX₂, the physical properties of which are different from those of the host TX₂ matrix because of ‘host-guest’ interactions. In this article we shall review the salient features of the M _x TiS₂ family with the simple 1T-CdI₂ type layered structure, which have been extensively studied by structural, transport, specific heat and lattice dynamic, magnetic and photoemission spectroscopic measurements. In contrast with the previously reported series of intercalation complexes of the Group V transition metal dichalcogenides, a characteristic of the M _x TiS₂ materials is strong hybridisation between the guest atom M 3d orbitals and the host Ti 3d and S 3p orbitals, leading to changes in the Fermi energy E _F of the conduction band, the density of states at E _F and various types of magnetic orderings. These properties are understood in terms of an itinerant electron or band picture for the intercalant, rather than a rigid band or localised model.     

Superheat of silicon crystals observed by live X-ray topography

In-situ observations of Si crystal growth and melting have been carried out by live X-ray diffraction topography. Superheated solid states beyond the melting point was observed for dislocation-free crystals with melting in their inside. Dislocations were found to impede superheat and to melt the crystal without an appreciable superheating. A slightly superheated state accompanying melting removes all dislocations including immobile ones by their climb motion. It is proposed that self-interstitials needed for the volume change by melting are supplied by climb of dislocations, in contrast to dislocation-free crystals creating the interstitials thermally. In real crystal growth, remelting occurs naturally by melt convection and acts to make the growing crystal dislocation-free.     

镍铬合金中不全位错的透射电子显微镜观察

对镍铬合金(20％Cr,1％Al,2.5％Ti)中层错边界处及共格孪晶界面上的不全位错进行了观察和分析,结果是:1.用g·b_p=±2/3或±1/3作为不全位错是否显示衍衬是可行的,但不够严格。为此,应尽量选择{220}或{311}类型衍射成像,这时g·b_p或者等于零,或者等于整数,比较容易确定不全位错的柏氏矢量。2.共格孪晶界面上有不全位错,大多数是全位错分解的产物,成对出现。3.平行滑移面上的层错在运动中可以相互重迭。重迭层错中内禀层错与外禀层错之间的不全位错,在g·b_p=±2/3时无衍衬(在层错条纹的较强背景下是亮线),而在g·b_p=±1/3时显示衍衬(暗线)。 关键词：     

Domain boundary engineering – recent progress and many open questions

Some domain boundaries contain functionalities which do not exist in the bulk. Typical examples are (super-) conducting twin walls in WO₃, highly conducting walls in BiFeO₃ and in structural interfaces between SrTiO₃ and LaAlO₃, and ferroelectric walls in CaTiO₃. The emerging field of ‘Domain Boundary Engineering’ endeavors to generate such functional interfaces in a multitude of materials for applications in device materials. Some of the recent successes are reviewed together with suggestions for further research.     

Structural instability and superconductivity in niobium-titanium alloys

Niobium-titanium is the most widely used technical superconductor. Titaniumrich transition metal alloys, quenched from high temperatures, can generally be retained in the bccβ phase. This phase is metastable and the instability is relieved by a variety of low temperature structural transformations. This aspect has been investigated using x-ray, TEM, low temperature resistivity,T _c and dH _c2/dT studies, in a series of Nb-Ti alloys. The instability has been characterized by the normal state resistivityρ _n and dρ/dT. The commercially used Nb-Ti alloys are Ti rich per atom-wise. This stems basically from the anomalous increase in the normal state resistivityρ _n as the Ti concentration is increased. This is a consequence of a dynamical process through which theβ phase instability tends to be relieved leading to athermal ω precipitation. The resulting anomalous resistivity behaviour can be understood in terms of a ‘two-level system’ model generally invoked for amorphous materials. It has also been possible to induce instability towards athermal ω precipitation in a system spontaneously undergoing a martensitic transformation to become stable. Thus in an alloy of Nb-83 at % Ti, addition of 1% nitrogen has suppressed the martensitic transformation, giving a three-fold increase inρ _n (about 150µΘ cm), the highest known in Nb-Ti so far. The increase in the normal state resistivity has beneficial effects on the upper critical field. From studies on several Nb-Ti alloys, it is inferred that a peak inH _c2(0) occurs at 17–18 tesla at aρ _n value of 100µΘ cm. It is pointed out that in the present commercial alloys, the sequence of thermo-mechanical treatments given to optimizeJ _c, restrictsρ _n, perhaps owing to the partial relieving of the metastability of theβ phase. They are therefore non-optimized with respect toH _c2.