Quasiperiodic [110] Symmetric Tilt FCC Grain Boundaries

TL;DR

This paper investigates [110] symmetric tilt FCC grain boundaries using a quasiperiodic interface model, revealing transition mechanisms, energy calculations, and the influence of special tilt angles related to algebraic numbers.

Contribution

It introduces a novel approach for modeling quasiperiodic grain boundaries and analyzes their transition to periodic boundaries with a new energy calculation method.

Findings

Quasiperiodic GBs follow generalized Fibonacci substitution rules.

Transition from quasiperiodic to periodic GBs involves sphere offsets and spectral coalescence.

GB energy varies continuously with tilt angle, except at periodic boundaries.

Abstract

In this work, we investigate [110] symmetric tilt FCC grain boundaries (GBs) by a recently developed approach for quasiperiodic interfaces using the Landau-Brazovskii model. On special tilt angles associated with quadratic algebraic numbers, quasiperiodic GBs exhibit generalized Fibonacci substitution rules. The transition mechanism from quasiperiodic GBs to periodic GBs is explored through sphere offsets and spectral coalescence. We also propose an accurate method to calculate the GB energy for arbitrary tilt angle and analyze the factors affecting the GB energy. The revealing GB energy change is continue along with tilt angle except periodic GBs.