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Ni/Ni3Al heterogeneous multilayer structures are widely used in aerospace manufacturing because of their unique coherent interfaces and excellent mechanical properties. Revealing the deformation mechanisms of interfacial structures is of great significance for microstructural design and their engineering applications. Thus, this work aims to establish the connection between the evolution of an interfacial misfit dislocation (IMD) network and tensile deformation mechanisms of Ni/Ni3Al multilayer structures. It is shown that the decomposition of IMD networks dominates the deformation of Ni/Ni3Al multilayer structures, which exhibits distinct effects on crystallographic orientation and layer thickness. Specifically, the Ni/Ni3Al (100) multilayer structure achieves its maximum yield strength of 5.28 GPa at the layer thickness of 3.19 nm. As a comparison, the (110) case has a maximum yield strength of 4.35 GPa as the layer thickness is 3.01 nm. However, the yield strength of the (111) one seems irrelevant to layer thickness, which fluctuates between 10.89 and 11.81 GPa. These findings can provide new insights into a deep understanding of the evolution and deformation of the IMD network of Ni/Ni3Al multilayer structures.

We have investigated the interface dislocations in InxGa1−xN/GaN heterostructures (0 ≤ x ≤ 0.20) using diffraction contrast analysis in a transmission electron microscope. The results indicate that the structural properties of interface dislocations depend on the indium composition. For lower indium composition (up to x = 0.09), we observed that the screw-type dislocations and dislocation half-loops occurred at the interface, even though the former do not contribute toward elastic relaxation of the misfit strain in the InGaN layer. With the increase in indium composition (0.13 ≤ x ≤ 0.17), in addition to the network of screw-type dislocations, edge-type misfit dislocations were generated, with their density gradually increasing. For higher indium composition (0.18 ≤ x ≤ 0.20), all of the interface dislocations are transformed into a network of straight misfit dislocations along the <10–10> direction, leading to partial relaxation of the InGaN epilayer. The presence of dislocation half-loops may be explained by a slip on basal plane; formation of edge-type misfit dislocations are attributed to punch-out mechanism.

The interactions between the moving dislocation within matrix channel and the interfacial misfit dislocation networks on the two-phase interfaces in Ni-based single crystal super-alloys are studied carefully via atomic modeling, with special focus on the factors influencing the critical bowing stress of moving dislocations in the matrix channel. The results show that the moving matrix dislocation type and its position with respect to the interfacial misfit dislocation segments have considerable influences on the interactions. If the moving matrix dislocation is pure screw, it reacts with the interfacial misfit dislocation segments toward dislocation linear energy reduction, which decreases the critical bowing stress of screw dislocation due to dislocation linear energy release during the dislocation reactions. If the moving matrix dislocation is of 60° -mixed type, it is obstructed by the interaction between the mixed matrix dislocations and the misfit interfacial dislocation segments. As a result, the critical bowing stress increases significantly because extra interactive energy needs to be overcome. These two different effects on the critical bowing stress become increasingly significant when the moving matrix dislocation is very close to the interfacial misfit dislocation segments. In addition, the matrix channel width also has a significant influence on the critical bowing stress, i.e. the narrower the matrix channel is, the higher the critical bowing stress is. The classical Orowan formula is modified to predict these effects on the critical bowing stress of moving matrix dislocation, which is in good agreement with the computational results.

The atomic reconstruction of a misfit dislocation (MD) core causes change in the strain distribution around the core. Several MD cores at the AlSb/GaAs (001) cubic zincblende interface, including a symmetrical glide set Lomer dislocation (LD), a left-displaced glide set LD, a glide set LD with an atomic step, a symmetrical shuffle set LD, and a 60° dislocation pair, were studied using simulated projected potential and aberration-corrected transmission electron microscope images. Image deconvolution was also used to restore structure images from nonoptimum-defocus images. The corresponding biaxial strain maps, ε xx (in-plane) and ε yy (out-of-plane), were obtained by geometric phase analysis using the GaAs substrate as the reference lattice. The results show that atomic structure characteristics of MD cores can be revealed by the strain maps. The strain maps should be measured from optimum-defocus images or restored structure images. Furthermore, the ε xx strain map has been found more accurate than the ε yy strain map for MD cores, and the specimen thickness should be below the critical thickness due to the influence of dynamical scattering.

We report structural analysis of completely relaxed GaSb epitaxial layers deposited monolithically on GaAs substrates using interfacial misfit (IMF) array growth mode. Unlike the traditional tetragonal distortion approach, strain due to the lattice mismatch is spontaneously relieved at the heterointerface in this growth. The complete and instantaneous strain relief at the GaSb/GaAs interface is achieved by the formation of a two-dimensional Lomer dislocation network comprising of pure-edge (90°) dislocations along both [110] and [1-10]. In the present analysis, structural properties of GaSb deposited using both IMF and non-IMF growths are compared. Moiré fringe patterns along with X-ray diffraction measure the long-range uniformity and strain relaxation of the IMF samples. The proof for the existence of the IMF array and low threading dislocation density is provided with the help of transmission electron micrographs for the GaSb epitaxial layer. Our results indicate that the IMF-grown GaSb is completely (98.5%) relaxed with very low density of threading dislocations (10⁵ cm⁻²), while GaSb deposited using non-IMF growth is compressively strained and has a higher average density of threading dislocations (>10⁹ cm⁻²).

The growth mode of InAs/GaAs(111)A is systematically investigated using our macroscopic theory with the aid of empirical potential calculations that determine parameter values used in the macroscopic theory. Here, stacking-fault tetrahedron (SFT) found in InAs/GaAs(111)A and misfit dislocation (MD) formations are employed as strain relaxation mechanisms. The calculated results reveal that the MD formation occurs at the layer thickness h about 7 monolayers (MLs). Moreover, we found that the SFT forming at h about 4 MLs makes surface atoms move upward to reduce the strain energy to promote the two dimensional (2D) growth. Therefore, the SFT in addition to the MD plays an important role in strain relaxation in InAs thin layers on GaAs(111)A. The macroscopic free energy calculations for the growth mode imply that the InAs growth on the GaAs(111)A proceeds along the lower energy path from the 2D-coherent (h ≤ 4 MLs) to the 2D-MD (h ≥ 7 MLs) via the 2D-SFT (4 MLs ≤ h ≤ 7 MLs). Consequently, the 2D growth on the InAs/GaAs(111)A results from strain relaxation due to the formation of the SFT near the surface and the subsequent MD formation at the interface.

The wealth of complex polar topologies 1 – 10 recently found in nanoscale ferroelectrics results from a delicate balance between the intrinsic tendency of the materials to develop a homogeneous polarization and the electric and mechanical boundary conditions imposed on them. Ferroelectric–dielectric interfaces are model systems in which polarization curling originates from open circuit-like electric boundary conditions, to avoid the build-up of polarization charges through the formation of flux-closure 11 – 14 domains that evolve into vortex-like structures at the nanoscale 15 – 17 level. Although ferroelectricity is known to couple strongly with strain (both homogeneous 18 and inhomogeneous 19 , 20 ), the effect of mechanical constraints 21 on thin-film nanoscale ferroelectrics has been comparatively less explored because of the relative paucity of strain patterns that can be implemented experimentally. Here we show that the stacking of freestanding ferroelectric perovskite layers with controlled twist angles provides an opportunity to tailor these topological nanostructures in a way determined by the lateral strain modulation associated with the twisting. Furthermore, we find that a peculiar pattern of polarization vortices and antivortices emerges from the flexoelectric coupling of polarization to strain gradients. This finding provides opportunities to create two-dimensional high-density vortex crystals that would enable us to explore previously unknown physical effects and functionalities. The stacking of freestanding ferroelectric perovskite layers with controlled twist angles results in a peculiar pattern of polarization vortices and antivortices that emerges from the flexoelectric coupling of polarization to strain gradients.

The misfit dislocations and strain fields at a Ge/Si heterostructure interface were investigated experimentally using a combination of high-resolution transmission electron microscopy and quantitative electron micrograph analysis methods. The type of misfit dislocation at the interface was determined to be 60° dislocation and 90° full-edge dislocation. The full-field strains at the Ge/Si heterostructure interface were mapped by using the geometric phase analysis (GPA) and peak pairs analysis (PPA), respectively. The effect of the mask size on the GPA and PPA results was analyzed in detail. For comparison, the theoretical strain fields of the misfit dislocations were also calculated by the Peierls-Nabarro and Foreman dislocation models. The results showed that the optimal mask sizes in GPA and PPA were approximately three tenths and one-tenth of the reciprocal lattice vector, respectively. The Foreman dislocation model with an alterable factor a = 4 can best describe the strain field of the misfit dislocation at the Ge/Si heterostructure interface.

Most engineering materials are based on multiphase microstructures produced either through the control of phase equilibria or by the fabrication of different materials as in thin-film processing. In both processes, the microstructure relaxes towards equilibrium by mismatch dislocations (or geometric misfit dislocations) across the heterophase interfaces 1 – 5 . Despite their ubiquitous presence, directly probing the dynamic action of mismatch dislocations has been unachievable owing to their buried nature. Here, using the interfacial transformation of copper oxide to copper as an example, we demonstrate the role of mismatch dislocations in modulating oxide-to-metal interfacial transformations in an intermittent manner, by which the lateral flow of interfacial ledges is pinned at the core of mismatch dislocations until the dislocation climbs to the new oxide/metal interface location. Together with atomistic calculations, we identify that the pinning effect is associated with the non-local transport of metal atoms to fill vacancies at the dislocation core. These results provide mechanistic insight into solid–solid interfacial transformations and have substantial implications for utilizing structural defects at buried interfaces to modulate mass transport and transformation kinetics. Environmental transmission electron microscopy is used to reveal that mismatch dislocations modulate the interfacial transformation of copper oxide to copper metal in an intermittent manner.

We have studied the strain field around the 90° domains and misfit dislocations in PbTiO 3 /SrTiO 3 (001) epitaxial thin films, at the nanoscale, using the geometric phase analysis (GPA) combined with high-resolution transmission electron microscopy (HRTEM) and high-angle annular dark field--scanning transmission electron microscopy (HAADF-STEM). The films typically contain a combination of a/c-mixed domains and misfit dislocations. The PbTiO 3 layer was composed from the two types of the a-domain (90° domain): a typical a/c-mixed domain configuration where a-domains are 20-30 nm wide and nano sized domains with a width of about 3 nm. In the latter case, the nano sized a-domain does not contact the film/substrate interface; it remains far from the interface and stems from the misfit dislocation. Strain maps obtained from the GPA of HRTEM images show the elastic interaction between the a-domain and the dislocations. The normal strain field and lattice rotation match each other between them. Strain maps reveal that the a-domain nucleation takes place at the misfit dislocation. The lattice rotation around the misfit dislocation triggers the nucleation of the a-domain; the normal strains around the misfit dislocation relax the residual strain in a-domain; then, the a-domain growth takes place, accompanying the introduction of the additional dislocation perpendicular to the misfit dislocation and the dissociation of the dislocations into two pairs of partial dislocations with an APB, which is the bottom boundary of the a-domain. The novel mechanism of the nucleation and growth of 90° domain in PbTiO 3 /SrTiO 3 epitaxial system has been proposed based on above the results.