Grain boundaries can undergo phase-like transitions, called complexion transitions, in
which their structure, composition, and properties change discontinuously as temperature …

Phase transitions are a common phenomenon in condensed matter and act as a critical
degree of freedom that can be employed to tailor the mechanical or electronic properties of …

Grain boundaries exhibit phase-like behavior in which their structure, chemistry and
properties may change discontinuously at critical values of thermodynamic parameters such …

Atomic-level modeling of materials provides fundamental insights into phase stability,
structure and properties of crystalline defects, and to physical mechanisms of many …

Grain boundaries (GBs) can be treated as two‐dimensional (2‐D) interfacial phases (also
called “complexions”) that can undergo interfacial phase‐like transitions. As bulk phase …

We study the phenomenon of grain-boundary premelting for temperatures below the melting
point in the phase-field crystal model of a pure material with hexagonal ordering in two …

Grain boundaries (GBs) are material imperfections that significantly impact material
properties. Understanding how their atomic structure deviates from ideal symmetric …

We summarize recent advances in modeling of solidification microstructures using
computational methods that bridge atomistic to continuum scales. We first discuss progress …

A thermodynamic diffuse interface analysis predicts that grain boundary transitions in solute
absorption are coupled to localized structural order-disorder transitions. An example …

Complexions are phase-like interfacial features that can influence a wide variety of
properties, but the ability to predict which material systems can sustain these features …