A surface definition method for an interfacial energy database

Abstract

Agreeing on a method to identify interfaces is a desirable step in order to build a database of interfacial energy. So far, the expression Sigma X Interface has been used to identify interfaces. Unfortunately, this conventional method cannot express arbitrary interface geometries. In the present work, we review interface geometries and propose a systematic Orientation Method based purely on geometrical considerations that can express arbitrary twists and slipping of interfaces.