No Arabic abstract
The texture of high purity superconducting niobium sheets plays an important role in the physical and mechanical properties of high purity niobium sheet that are important for manufacturing of superconducting accelerator cavities. In a particular batch of sheet metal, orientation imaging microscopy showed an inhomogeneous texture from the surface to the mid-thickness of the sheet consisting a gamma fiber, {111}<uvw>), cube fiber, {100}<uvw>), and also some components on the alpha fiber, {hkl}<110>. With uniaxial deformation, peaks on the {uvw}<111> gamma fiber evolve differently depending on the in-plane direction of deformation, and the position in the sample (surface vs. center). Applying a different strain path such as balanced biaxial bulging, leads to development of rotated Goss, {110}<110> components in the texture of the deformed niobium. These results show that the texture of niobium is very sensitive to the deformation and strain path.
Strain induced band gap deformations of hydrogenated/fluorinated graphene and hexagonal BN sheet have been investigated using first principles density functional calculations. Within harmonic approximation, the deformation is found to be higher for hydrogenated systems than for the fluorinated systems. Interestingly, our calculated band gap deformation for hydrogenated/fluorinated graphene and BN sheets are positive, while those for pristine graphene and BN sheet are found to be negative. This is due to the strong overlap between nearest neighbor {pi} orbitals in the pristine sheets, that is absent in the passivated systems. We also estimate the intrinsic strength of these materials under harmonic uniaxial strain, and find that the in-plane stiffness of fluorinated and hydrogenated graphene are close, but larger in magnitude as compared to those of fluorinated and hydrogenated BN sheet.
Nanoparticles usually exhibit pronounced anisotropic properties, and a close insight into the atomic-scale deformation mechanisms is of great interest. In present study, atomic simulations are conducted to analyze the compression of bcc nanoparticles, and orientation-dependent features are addressed. It is revealed that surface morphology under indenter predominantly governs the initial elastic response. The loading curve follows the flat punch contact model in [110] compression, while it obeys the Hertzian contact model in [111] and [001] compressions. In plastic deformation regime, full dislocation gliding is dominated in [110] compression, while deformation twinning is prominent in [111] compression, and these two mechanisms coexist in [001] compression. Such deformation mechanisms are distinct from those in bulk crystals under nanoindentation and nanopillars under compression, and the major differences are also illuminated. Our results provide an atomic perspective on the mechanical behaviors of bcc nanoparticles and are helpful for the design of nanoparticle-based components and systems.
We report a first-principles study on electronic structures of the deformed armchair graphene nanoribbons (AGNRs). The variation of the energy gap of AGNRs as a function of uniaxial strain displays a zigzag pattern, which indicates that the energy gaps of AGNRs can be effectively tuned. The spatial distributions of two occupied and two empty subbands close to the Fermi level are swapped under different strains. The tunable width of energy gaps becomes narrower as increasing the width of AGNRs. Our simulations with tight binding approximation, including the nearest neighbor hopping integrals between $pi$- orbitals of carbon atoms, reproduce these results by first-principles calculations. One simple empirical formula is obtained to describe the scaling behavior of the maximal value of energy gap as a function of the width of AGNRs.
The influence of lattice strain and Mg vacancies on the superconducting properties of MgB2 samples has been investigated. High quality samples with sharp superconducting transitions were synthesized. The variation in lattice strain and Mg vacancy concentrations were obtained by varying the synthesis conditions. It was found that high strain (~1%) and the presence of Mg vacancies (~ 5 %) resulted in lowering the Tc by only 2 K.
Molecular dynamics simulations performed on <110> Cu nanopillars revealed significant difference in deformation behavior of nanopillars with and without twin boundary. The plastic deformation in single crystal Cu nanopillar without twin boundary was dominated by twinning, whereas the introduction of twin boundary changed the deformation mode from twinning to slip consisting of leading partial followed by trailing partial dislocations. This difference in deformation behavior has been attributed to the formation of stair-rod dislocation and its dissociation in the twinned nanopillars.