Order and structural units in simulations of twist grain boundaries in silicon at absolute zero
نویسندگان
چکیده
منابع مشابه
Computational Studies of Silicon Interfaces and Amorphous Silica
Computational simulations are a new branch of science where one can perform computational experiments by simulating a model system. The model contains an approximation of a real system with simplified physical laws and reduced size in order to make it computationally tractable. Many physical systems cannot be analytically solved and also experimentally not everything can be measured. Computatio...
متن کاملAre the structures of twist grain boundaries in silicon ordered at 0 K?
Contrary to previous simulation results on the existence of amorphous intergranular films at high-angle twist grain boundaries (GBs) in elemental solids such as silicon, recent experimental results imply structural order in some high-angle boundaries. With a novel protocol for simulating twist GBs, which allows the number of atoms at the boundary to vary, we have found new low-energy ordered st...
متن کاملThe five parameter grain boundary character distribution of polycrystalline silicon
The purpose of this paper is to describe the five-parameter grain boundary character distribution (GBCD) of polycrystalline silicon and compare it to distributions measured in metals and ceramics. The GBCD was determined from the stereological analysis of electron backscatter diffraction maps. The distribution of grain boundary disorientations is non-random and has peaks at 36", 39", 45", 51", ...
متن کاملOn the small angle twist sub-grain boundaries in Ti3AlC2
Tilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typical MAX phase Ti3AlC2 compressed at 1200 °C, which comprise hexagonal screw dislocation networks fo...
متن کاملExtended Point Defect Structures at Intersections of Screw Dislocations in Si: A Molecular Dynamics Study
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...
متن کامل