Related papers: Disruptive Atomic Jumps Induce Grain Boundary Stag…
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…
Most materials in available macroscopic quantities are polycrystalline. Graphene, a recently discovered two-dimensional form of carbon with strong potential for replacing silicon in future electronics, is no exception. There is growing…
The dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic…
We present quantum-based simulations of single grain boundary reflectivity of electrons in metals, Cu and Ag. We examine twin and non-twin grain boundaries using non-equilibrium Green's function and first principles methods. We also…
Grain growth is a well-known and complex phenomenon occurring during annealing of all polycrystalline materials. Its numerical modeling is a complex task when anisotropy sources such as grain orientation and grain boundary inclination have…
Emergent grain boundaries at free surface control material properties such as nanomaterial strength, catalysis, and corrosion. Recently the restructuring of emergent boundaries on copper (111) surfaces was discovered experimentally and…
Orientation effects on the resistivity of copper grain boundaries are studied systematically with two different atomistic tight binding methods. A methodology is developed to model the resistivity of grain boundaries using the Embedded Atom…
Segregation to grain boundaries affects their cohesion, corrosion and embrittlement and plays a critical role in heterogeneous nucleation. In order to quantitatively study segregation and phase separation at grain boundaries, we derive a…
Geometric Brownian motion (GBM) is a model for systems as varied as financial instruments and populations. The statistical properties of GBM are complicated by non-ergodicity, which can lead to ensemble averages exhibiting exponential…
This study presents numerical simulations of the resonance of a finite-length granular chain of dissipative grains driven by a harmonically vibrated tube. Multiple gradual resonant modes, namely, non-resonance mode, partial-resonance mode,…
We present a theoretical study of the interaction of vacancies with a tilt grain boundary in aluminum based on the density functional theory. The grain boundary volume expansion and vacancy induced contraction are calculated and compared…
The Aharonov-Bohm effect is a quantum mechanical phenomenon that demonstrates how potentials can have observable effects even when the classical fields associated with those potentials are absent. Initially proposed for electromagnetic…
The diffusion of monovacancies in gold has been studied by computer simulation. Multiple jumps have been found to play a central role in the atomic dynamics at high temperature, and have been shown to be responsible for an upward curvature…
A numerical investigation of grain-boundary (GB) grooving by means of the Level Set (LS) method is carried out. GB grooving is emerging as a key element of electromigration drift in polycrystalline microelectronic interconnects, as…
Granular media jam into a panoply of metastable states. The way in which these states are achieved depends on the nature of local and global constraints on grains; here we investigate this issue by means of a non-equilibrium stochastic…
It is shown that the grain mass fluctuation, which is due to the grain sputtering by the attracted ions, may be at the root of a new instability in infinite, unmagnetized and homogeneous dusty plasmas. The growth rate is determined in the…
Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various…
The problem of impulsive heating of dust grains in cold, dense interstellar clouds is revisited theoretically, with the aim to better understand leading mechanisms of the explosive desorption of icy mantles. It is rigorously shown that if…
The motion of the structure determining components is highly collective, both in amorphous solids and in undercooled liquids. This has been deduced from experimental low temperature data in the tunneling regime as well as from the vanishing…
The effect of grain boundaries and wrinkles on the electrical properties of polycrystalline graphene is pronounced. Here we investigate the stitching between grains of polycrystalline graphene, specifically, overlapping of layers at the…