相关论文: Critical Strain for Surface Nucleation of Dislocat…
Strain fields, dislocations and defects may be used to control electronic properties of graphene. By using advanced imaging techniques with high-resolution transmission electron microscopes, we have measured the strain and rotation fields…
Based on the atomistic studies presented in Part I we develop analytical yield criteria for single crystals that capture the effect of shear stresses other than the Schmid stress (non-glide stresses) on the shear stress needed for…
A seemingly anomalous enhancement of electron mobility in strained silicon inversion layers at high sheet densities has exposed a conspicuous gap between device physics theory and experiment in recent years. We show that the root of this…
We present a systematic study of the effect of crack blunting on subsequent crack propagation and dislocation emission. We show that the stress intensity factor required to propagate the crack is increased as the crack is blunted by up to…
The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent…
Modelling the scrape-off layer of a stellarator is challenging due to the complex magnetic 3D geometry. The here presented study analyses simulations of the scrape-off layer (SOL) of the stellarator Wendelstein 7-X (W7-X) using spatially…
We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte-Carlo simulations. Our analysis focuses on…
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…
In a theoretical study, we investigate the spin dynamics of interacting nitrogen-vacancy (NV) centers and quadrupolar I = 3/2 nuclear spins, specifically 11B spins in hexagonal boron nitride (h-BN) nanosheets located near the microdiamond…
Damage nucleation from repeated dislocation absorption at a grain boundary is simulated with molecular dynamics. At the grain boundary-dislocation intersection site, atomic shuffling events determine how the free volume brought by the…
We consider the impact fragmentation of two spherical solid bodies sensitive to strain rate in a three-dimensional (3D) setting. We use both dimensional analysis and numerical simulations by smoothed-particle hydrodynamics (SPH) method to…
The thermodynamic dislocation theory developed for non-uniform plastic deformations is used here to simulate the stress-strain curves for crystals subjected to anti-plane shear-controlled load reversal. We show that the presence of the…
We study atomistically the fracture of single crystal silicon at atomically sharp notches with opening angles of 0 degrees (a crack), 70.53 degrees, 90 degrees and 125.3 degrees. Such notches occur in silicon that has been formed by etching…
In recent decades, computer simulations have found increasingly widespread use as powerful tools of studying phase transitions in wide variety of systems. In the particular and very important case of aqueous systems, the commonly used…
The efficacy of strained layer threading dislocation filter structures in single crystal epitaxial layers is evaluated using numerical modeling for (001) face-centred cubic materials, such as GaAs or Si(1-x)Ge(x), and (0001) hexagonal…
In [3] a simple discrete scheme for the motion of screw dislocations toward low energy configurations has been proposed. There, a formal limit of such a scheme, as the lattice spacing and the time step tend to zero, has been described. The…
Interactions between an edge dislocation and a void in copper are investigated by means of molecular dynamics simulation. The depinning stresses of the leading partial and of the trailing partial show qualitatively different behaviors. The…
In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent)…
Thermomechanical processing such as annealing is one of the main methods to tailor the mechanical properties of materials, however, much is unknown about the reorganization of dislocation structures deep inside macroscopic crystals that…
Recent work demonstrates that finite-deformation nonlinear elasticity is essential in the accurate modeling of wrinkling in highly stretched thin films. Geometrically exact models predict an isola-center bifurcation, indicating that for a…