The theory of grain boundary (the interface between crystallites, GB) structure has a long
history and the concept of GBs undergoing phase transformations was proposed 50 years …

Grain boundaries (GBs) in metals usually increase electrical resistivity due to their distinct
atomic arrangement compared to the grain interior. While the GB structure has a crucial …

Structural transformations at interfaces are of profound fundamental interest as complex
examples of phase transitions in low-dimensional systems. Despite decades of extensive …

Failure processes are often linked to interfaces, their atomistic structure and chemistry.
Therefore, a detailed understanding of failure processes requires knowledge of structural …

The study of grain boundary phase transitions is an emerging field until recently dominated
by experiments. The major bottleneck in the exploration of this phenomenon with atomistic …

Recent experimental measurements of Ag impurity diffusion in the Σ 5 (310) grain boundary
(GB) in Cu revealed an unusual non-Arrhenius behavior suggestive of a possible structural …

We review the recent progress in theoretical understanding and atomistic computer
simulations of phase transformations in materials interfaces, focusing on grain boundaries …

Phase transformations in metallic grain boundaries (GBs) present significant fundamental
interest in the context of thermodynamics of low-dimensional physical systems. We report on …

The phase behavior of grain boundaries can have a strong influence on interfacial
properties. Little is known about the emergence of grain boundary phases in elemental …

We report a computational discovery of novel grain boundary structures and multiple grain
boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten …