A theoretical investigation of glide dislocations in BN/AlN heterojunctions

Glide dislocations with periodic pentagon-heptagon pairs are investigated within the theory of one-dimensional misfit dislocations in the framework of an improved Peierls–Nabarro(P–N)equation in which the lattice discreteness is fully considered.We find an approximate solution to handle misfit dislocations,where the second-order derivative appears in the improved P–N equation.This result is practical for periodic glide dislocations with narrow width,and those in the BN/AlN heterojunction are studied.The structure of the misfit dislocations and adhesion work are obtained explicitly and verified by first-principles calculations.Compared with shuffle dislocations,the compression force in the tangential direction of glide dislocations has a greater impact on the normal direction,and the contributions of the normal displacement to the interfacial energy cannot simply be ignored.

High Hole Mobility of GaSb Relaxed Epilayer Grown on GaAs Substrate by MOCVD through Interfacial Misfit Dislocations Array

The structural property of GaSb epilayers grown on semi-insulator GaAs （001） substrate by metalorganic chemical vapor deposition （MOCVD） using Triethylgallium （TEGa） and trimethylantimony （TMSb）, was investigated by variation of the Sb：Ga （V/Ill） ratio. An optimum V/Ill ratio of 1.4 was determined in our growth conditions. Using transmission electron microscopy （TEM）, we found that there was an interracial misfit dislocations （IMF） growth mode in our experiment, in which the large misfit strain between epilayer and substrate is relaxed by periodic 90 deg. IMF array at the hetero-epitaxial interface. The rms roughness of a 300 nm-thick GaSb layer is only 2.7 nm in a 10μm×10μm scan from atomic force microscopy （AFM） result. The best hole density and mobility of 300 nm GaSb epilayer are 5.27xi06 cm-3（1.20×106） and 553 cm2-V-l.s-1 （2340） at RT （77 K） from Hall measurement, respectively. These results indicate that the IMF growth mode can be used in MOCVD epitaxial technology similar to molecular beam epitaxy （MBE） technology to produce the thinner GaSb layer with low density of dislocations and other defects on GaAs substrate for the application of devices.

Modification of the Peierls-Nabarro model for misfit dislocation

For a misfit dislocation,the balance equations satisfied by the displacement fields are modified,and an extra term proportional to the second-order derivative appears in the resulting misfit equation compared with the equation derived by Yao et al.This second-order derivative describes the lattice discreteness effect that arises from the surface effect.The core structure of a misfit dislocation and the change in interfacial spacing that it induces are investigated theoretically in the framework of an improved Peierls-Nabarro equation in which the effect of discreteness is fully taken into account.As an application,the structure of the misfit dislocation for a honeycomb structure in a two-dimensional heterostructure is presented.

Orientation-Dependent Morphology and Evolution of Interfacial Dislocation Networks in Ni-Based Single-Crystal Superalloys:A Molecular Dynamics Simulation

In this paper,the morphology and evolution of interfacial dislocation networks of(100),(110)and(111)interphases of Ni-based single-crystal superalloys are studied by molecular dynamics(MD)simulations.Three-dimensional cubic-type and sandwich-type models are chosen to explore the orientation-dependent morphology of dislocation networks,and their respective advantages and disadvantages are compared.From the simulations,it is observed that various lattice orientations and model types lead to different morphologies of dislocation networks.Based on the analysis of average atomic energy and dislocation characteristics,the(100)orientation model has a more regular dislocation network,lower energy and better stability than the(110)and(111)orientation models after MD relaxation,which are supported by previous experimental and numerical simulations.Moreover,the cubic-type model has lower energy and better stability than the sandwich-type model.This will be helpful for choosing a more appropriate and reasonable model for simulating the interfacial dislocation networks of Ni-based single-crystal superalloys.

An overview of rhenium effect in single-crystal superalloys

Nickel-based single-crystal superalloys are the key materials for the manufacturing and development of advanced aeroengines. Rhenium is a crucial alloying element in the advanced nickel-based single-crystal superalloys for its special strengthening effects. The addition of Re could effectively enhance the creep properties of the single-crystal superalloys; thus, the content of Re is considered as one of the characteristics in different-generation single-crystal superalloys. Owing to the fundamental importance of rhenium to nickel-based single-crystal superalloys, much progress has been made on understanding of the effect of rhenium in the single-crystal superalloys. While the effect of Re doping on the nickelbased superalloys is well documented, the origins of the socalled rhenium effect are still under debate. In this paper,the effect of Re doping on the single-crystal superalloys and progress in understanding the rhenium effect are reviewed. The characteristics of the d-states occupancy in the electronic structure of Re make it the slowest diffusion elements in the single-crystal superalloys, which is undoubtedly responsible for the rhenium effect, while the postulates of Re cluster and the enrichment of Re at the c/c0 interface are still under debate, and the synergistic action of Re with other alloying elements should be further studied.Additionally, the interaction of Re with interfacial dislocations seems to be a promising explanation for the rhenium effect. Finally, the addition of Ru could help suppress topologically close-packed（TCP） phase formation and strengthen the Re doping single-crystal superalloys.Understanding the mechanism of rhenium effect will be beneficial for the effective utilization of Re and the design of low-cost single-crystal superalloys.

Coarsening Behavior of Gamma Prime Precipitates in a Nickel Based Single Crystal Superalloy

The γ/γ＇ microstructural evolution in a nickel based single crystal superalloy during load-free thermal exposure at 900 ℃ has been further investigated in this paper. The growth characteristics of γ＇ precipitates were discussed in detail. The generation of interfacial dislocations would accelerate the rate of coalescence in the dendrite arms. The average sizes of precipitates were used to compare interface with diffusion controlled growth mechanism and no mechanism seems obviously dominant, although the square rate law gives slightly better fit. The coarsening behavior may be controlled by diffusion through the ragged interface between the γ＇ precipitate and the y matrix.

Influence of Ta/Al ratio on the microstructure and creep property of a Ru-containing Ni-based single-crystal superalloy

Two alloys with different Ta and Al contents were applied to study the influence of Ta/Al ratio on the microstructural evolution and creep deformation under high temperature.The increase of Ta/Al ratio made theγ/γ'lattice misfit more negative and enhanced the volume fraction ofγ'phase,which produced cubic and smallγ'phase in the initial microstructures.These initial tinyγ'phases impeded the dislocations movement and delayed the course of complete raftedγ'phase during the origination of creep deformation,which prolonged the time of the primary creep stage.Moreover,the increase of Ta/Al ratio and addition of Ru produced the denser and stable dislocation networks,the high APB energy and better solution strengthening,which hindered the climbing and sliding of dislocations,and restrained the formation of superdislocations in theγ'precipitate.The second creep stage was extended,and the minimum creep rate was reduced.Hence,the increase of whole creep life of the alloy containing high Ta/Al ratio was attributed to the prolongation of the primary and second creep stages,and the low minimum creep rate.The appearance of the topological inversion phenomenon during the tertiary creep stage was the primary cause for the sudden increase of the creep strain rate of the alloy containing low Ta/Al ratio.However,the high creep strain rate of the alloy containing high Ta/Al ratio during the tertiary creep stage was related to the occurrence and extending of the cracks near the voids.Both alloys would lose efficacy within 20 h-30 h.