Related papers: Atomic structure of dislocation kinks in silicon
Strain hardening is a key feature observed in many rocks deformed in the so-called ``semi-brittle'' regime, where both crystal plastic and brittle deformation mechanisms operate. Dislocation storage has long been recognised as a major…
The creation and ultrastructure of kink-bands in flax fibres are key issues for developing more and more performing biobased composite materials. Nevertheless, despite many hypotheses and structural characterization, the exact origin of…
In recent years there has been renewed interest in the behavior of dislocations in crystals that exhibit strong atomic scale disorder, as typical of compositionally complex single phase alloys. The behavior of dislocations in such crystals…
The transformation of the stripe domain structure of spontaneously-formed epitaxial silicene on ZrB$_2$ thin film into a single-domain driven by the adsorption of a fraction of a monolayer of silicon was used to investigate how dislocations…
We simulate the dislocation core structure in bcc iron using the modified Molecular Static method. A feature of this method is the application of an iterative procedure in which the atomic structure in the vicinity of the defect and the…
Nano-scale eutectics, such as rapid solidified Al-Si, exhibit enhanced yield strength and strain hardening but plasticity is limited by cracking of the hard phase (Si). Mechanisms that may suppress cracking and enable plastic co-deformation…
We have extended our experimentally constrained molecular relaxation technique (P. Biswas {\it et al}, Phys. Rev. B {\bf 71} 54204 (2005)) to hydrogenated amorphous silicon: a 540-atom model with 7.4 % hydrogen and a 611-atom model with 22…
Using high-resolution angle-resolved photoemission spectroscopy on $Bi_{2}Sr_{2}CaCu_{2}O_{8+\delta}$, we have made the first observation of a mass renormalization or "kink" in the E vs. $\vec k$ dispersion relation localized near $(\pi,…
The modelling of interface migration and the associated diffusion mechanisms at the nanoscale level is a challenging issue. For many technological applications ranging from nanoelectronic devices to solar cells, more knowledge of the…
Defects in crystalline silicon consisting of a silicon self-interstitial atom and one, two, three, or four hydrogen atoms are studied within density-functional theory (DFT). We search for low-energy defects by starting from an ensemble of…
A first principles, excited state analysis is carried out to identify ways of producing silicon quantum dots with low excitonic reorganization energy. These focus on the general strategy of either reducing or constraining exciton-phonon…
In this study, the influence of pure dislocation and hydrogen-dislocation interactions on anelastic response or internal friction relaxation peaks in bcc-iron was investigated. These relaxations are primarily governed by thermally activated…
In recent years, the behavior of dislocations in random solid solutions has received renewed interest, and several models have been discussed where random alloys are treated as effective media containing random distributions of dilatation…
Dielectric spectroscopy of CaCu3Ti4O12 was performed spanning broad ranges of temperature (10-300K) and frequency (0.5Hz-2MHz). We attribute the permittivity step-fall to the evolution of Kirkwood-Fr\"oehlich dipole-correlations; reducing…
Two-dimensional (2D) layered materials hosting dislocations have attracted considerable research attention in recent years. In particular, screw dislocations can result in a spiral topology and an interlayer twist in the layered materials,…
High-resolution ($<$0.1pc) ALMA observations of the 30Dor-10 molecular cloud 15pc north of R136 are presented. The $^{12}$CO 2-1 emission morphology contains clumps near the locations of known mid-infrared massive protostars, as well as a…
We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The…
We have studied diffusion pathways of a silyl radical adsorbed on the hydrogenated Si (100)-(2x1) surface by density-functional theory. The process is of interest for the growth of crystalline silicon by plasma-enhanced chemical vapor…
A phase field model is presented to investigate dislocation formation (coherency loss) and workhardening in two-phase binary alloys. In our model the elastic energy density is a periodic function of the shear and tetragonal strains, which…
Dislocations are ubiquitous in three-dimensional solid-state materials. The interplay of such real space topology with the emergent band topology defined in reciprocal space gives rise to gapless helical modes bound to the line defects.…