We extend our recent simulation studies where a screw dislocation in face-centered cubic (fcc) Ni was found to spontaneously attain a low energy partially cross-slipped configuration upon intersecting a forest dislocation. Using atomistic (molecular statics) simulations with embedded atom potentials, we evaluated the activation barrier for a dislocation to transform from fully residing on the g...

Dislocation/stacking fault interactions play an important role in the plastic deformation of metallic nanocrystals and polycrystals. These interactions have been explored in atomistic models, which are limited in scale length by high computational cost. In contrast, multiscale material modeling approaches have the potential to simulate the same systems at a fraction of the computational cost. I...

We investigate the T (3)-gauge theory of static dislocations in continuous solids. We use the most general linear constitutive relations bilinear in the elastic distortion tensor and dislocation density tensor for the force and pseudomoment stresses of an isotropic solid. The constitutive relations contain six material parameters. In this theory both the force and pseudomoment stresses are asym...

The width, Peierls barrier and stress for shuffle screw dislocation in Si and Ge have been calculated by the improved P-N theory. The calculated widths are about 0.6b, b is the Burgers vector. The Peierls barriers for shuffle screw dislocations in Si and Ge are respectively about 3.61~4.61meV/Å and 5.31~13.32meV/Å, Peierls stresses are 1.40~2.07 meV/Å and 1.93~3.29 meV/Å. Our calculated results...

Molecular dynamics computer simulations have been employed with the Tersoff interatomic potential to examine the atomic structure of (a=2) h110i screw dislocations forming regular two-dimensional arrays in silicon. The main attention is focused on the atomic configurations of dislocation intersections. The dislocations are assumed to be undissociated, following HREM observations on the low-angl...

This paper is concerned with the interaction between an interfacial edge-crack and a screw dislocation under out-of-plane mechanical and in-plane electric loading in a piezoelectric bimaterial strip. In addition to a discontinuous electric potential across the slip plane, the dislocation is subjected to a line-force and a line-charge at the core. Under the framework of linear piezoelectricity, ...

Predicting atomistic properties of a dislocation is a first step toward an understanding of plastic behavior of materials, in particular BCC metals. The core structure and Peierls stress of a screw dislocation in BCC iron have been determined using the first-principles calculations based on the density functional theory with the large-scale supercell containing 231 atoms. For the a0/2[111] scre...

Hierarchical nanostructures of lead sulfide nanowires resembling pine trees were synthesized by chemical vapor deposition. Structural characterization revealed a screwlike dislocation in the nanowire trunks with helically rotating epitaxial branch nanowires. It is suggested that the screw component of an axial dislocation provides the self-perpetuating steps to enable one-dimensional crystal gr...

On the basis of first-principles Monte Carlo simulations we find that the screw dislocation along the hexagonal axis of an hcp 4He crystal features a superfluid (at T-->0) core. This is the first example of a regular quasi-one-dimensional supersolid--the phase featuring both translational and superfluid orders, and one of the cleanest cases of a Luttinger-liquid system. In contrast, the same ty...

2014 The stability of a screw dislocation in a SmA phase submitted to a dilative or compressive strain normal to the layers is investigated. It is shown that the screw line transforms to a helical line, whose handedness depends on the signs of the Burgers’ vector and of the strain. For small strains the process necessitates some activation energy; there is a critical strain above which it is sp...