E-coherent crystalline interfaces: coherency enhanced by discohesion arrays

TL;DR

This paper introduces e-coherent interfaces, where non-affine relaxations create additional coincidence sites, affecting interface energetics and kinetics, with implications for understanding crystalline boundary behaviors.

Contribution

It reveals a new class of interfaces called e-coherent, characterized by non-affine relaxations and discohesions, expanding the understanding of interface coherency beyond traditional models.

Findings

E-coherent interfaces exhibit unique energetics and kinetics influenced by discohesion content.

Atomistic simulations and microscopy confirm the presence and effects of e-coherency.

Multiple e-coherent states can exist within a single interface.

Abstract

Coherent crystalline interfaces form when a pair of joined crystals share lattice sites. Such interfaces are ubiquitous in materials, minerals, and compounds, with examples including grain boundaries in polycrystals and phase boundaries in multi-phase systems. Existing methodologies such as the topological model provide a framework for understanding the nature of coherency between two crystals and the line defect content within an interface. However, these methods only consider states of coherency achieved via affine transformations. Here we show that in some interfaces, local relaxations in the form of non-affine transformations lead to the introduction of additional coincidence sites within the interface; we term this class of interfaces as e-coherent. These non-affine relaxations are topologically equivalent to inserting disconnection (or disclination) dipoles or loops into the interface. Unlike traditional interfacial line defects, the defects associated with e-coherency cannot have long-range stress fields and their motion alters the state of coherency between the crystals. Given these unique properties, we differentiate them from other defects by referring to them as discohesions. Through atomistic simulations and transmission electron microscopy, we show that the energetics and kinetics of e-coherent interfaces are strongly affected by the discohesion content in the interface, leading to fundamentally different behaviors compared to non-e-coherent interfaces. We demonstrate e-coherency in grain, twin, and phase boundaries, and that a given interface can have multiple possible e-coherent states. These results suggest that e-coherency is likely to be pervasive in crystalline solids.