Progress in the discovery of new materials has been accelerated by the development of
reliable quantum-mechanical approaches to crystal structure prediction. The properties of a …

Grain boundaries (GBs) are central defects for describing polycrystalline materials, and
playing major role in a wide-range of physical properties of polycrystals. Control over GB …

Grain boundary (GB) migration plays an important role in modifying the microstructures and
the related properties of polycrystalline materials, and is governed by the atomistic …

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 …

Nanostructured materials contain an extremely high density of interfaces. The properties of
these materials when exposed to extreme conditions of radiation dose, stress, deformation …

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 …

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

Expanded and revised to cover developments in the field over the past 17 years, and now
reprinted to correct errors in the prior printing, Phase Transformation in Metals and Alloys …

The segregation of solute atoms at grain boundaries (GBs) can profoundly impact the
structural properties of metallic alloys, and induce effects that range from strengthening to …

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