相关论文: Degenerate transition pathways for screw dislocati…
The minimum energy path (MEP) is the most probable transition path that connects two equilibrium states of a potential energy landscape. It has been widely used to study transition mechanisms as well as transition rates in the fields of…
Molecular Dynamics (MD) simulations have been carried out to investigate the deformation behaviour of <110>/{111} body centered cubic (BCC) Fe nanowires under tensile and compressive loading. An embedded atom method (EAM) potential was used…
Creep in single crystal Nickel-based superalloys has been a topic of interest since decades, and nowadays simulations are more and more able to complement experiments. In these alloys, the $\gamma/\gamma'$ phase microstructure co-evolves…
We use the first principles and effective Hamiltonian methods to study the electronic structure and magnetic properties of a recently synthesized layered antiferromagnetic square net topological semimetal EuZnSb$_2$ [1]. The main message of…
Cross slip of screw dislocations in crystalline solids is a stress-driven thermally activated process essential to many phenomena during plastic deformation, including dislocation pattern formation, strain hardening, and dynamic recovery.…
Rotation of triaxially deformed nucleus has been an interesting subject in the study of nuclear structure. In the present series of work, we investigate wobbling motion and chiral rotation by employing the microscopic framework of…
A dislocation moving through a quasicrystal is leaving in its wake a fault denoted phason wall. For a two-dimensional model quasicrystal the disregistry energy of this phason wall is studied to determine possible Burgers vectors of the…
When a particle crosses a region of space where the curvature radius of the magnetic field line shrinks below its gyroradius $r_{\rm g}$, it experiences a non-adiabatic (magnetic moment violating) change in pitch angle. The present paper…
A continual model of non-singular screw dislocation lying along a straight infinitely long circular cylinder is investigated in the framework of translational gauge approach with the Hilbert--Einstein gauge Lagrangian. The stress--strain…
The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…
The growth of spiral mounds containing a screw dislocation is compared to the growth of wedding cakes by two-dimensional nucleation. Using phase field simulations and homoepitaxial growth experiments on the Pt(111) surface we show that both…
We investigate the metal-insulator transition occurring in two-dimensional (2D) systems of noninteracting atoms in the presence of artificial spin-orbit interactions and a spatially correlated disorder generated by laser speckles. Based on…
The interaction of dislocations with phase boundaries is a complex phenomenon, that is far from being fully understood. A 2D Peierls-Nabarro finite element (PN-FE) model for studying edge dislocation transmission across fully coherent and…
Valley asymmetry of the electron spectrum in transition metal dichalcogenides (TMDs) originates from the spin-orbit coupling. Presence of spin-orbit fields of opposite signs for electrons in K and K' valleys in combination with possibility…
Laser hardening of metals occurs under the influence of a shock wave, which changes the distribution and density of one-dimensional defects - dislocations. There is a relationship between the density of dislocations, the grain size and the…
In Laves phases, synchroshear is the dominant basal slip mechanism. It is accomplished by the glide of synchro-Shockley dislocations. However, the atomic-scale mechanisms of motion of such zonal dislocations are still not well understood.…
Previous simulation and experimental studies have shown that some grain boundaries (GBs) can couple to applied shear stresses and be moved by them, producing shear deformation of the lattice traversed by their motion. While this coupling…
In body-centered cubic (bcc) crystals, ${1}{2}111$ screw dislocations exhibit high intrinsic lattice friction as a consequence of their non-planar core structure, which results in a periodic energy landscape known as the Peierls potential,…
Several transition metals were examined to evaluate their potential for improving the ductility of tungsten. The dislocation core structure and Peierls stress and barrier of $1/2<111>$ screw dislocations in binary tungsten-transition metal…
Using a description of defects in solids in terms of three-dimensional gravity, we study the propagation of electrons in the background of disclinations and screw dislocations. We study the situations where there are bound states that are…