Are the structures of twist grain boundaries in silicon ordered at 0 K?

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...

Order and structural units in simulations of twist grain boundaries in silicon at absolute zero

Low-energy, Mobile Grain Boundaries in Magnesium

The strong basal texture that is commonly developed during the rolling of magnesium alloy and can even increase during annealing motivates atomic-level study of dislocation structures of both <0001> tilt and twist grain boundaries (GBs) in Magnesium. Both symmetrical tilt and twist GBs over the entire range of rotation angles θ between 0° and 60° are found to have an ordered atomic structure an...

nd - m at . s of t ] 2 7 A ug 1 99 8 Scherk ’ s First Surface , Twist - Grain - Boundaries and All That

Large twist-angle grain boundaries in layered structures are often described by Scherk's first surface whereas small twist-angle grain boundaries are usually described in terms of an array of screw dislocations. We show that there is no essential distinction between these two descriptions and that, in particular, their comparative energetics depends crucially on the core structure of their scre...

Minimal Surfaces, Screw Dislocations and Twist Grain Boundaries

Large twist-angle grain boundaries in layered structures are often described by Scherk’s first surface whereas small twist-angle grain boundaries are usually described in terms of an array of screw dislocations. We show that there is no essential distinction between these two descriptions and that, in particular, their comparative energetics depends crucially on the core structure of their scre...