Nearly all metals, alloys, ceramics, and their associated composites are polycrystalline in
nature, with grain boundaries that separate well-defined crystalline regions that influence …

Grain boundaries control a wide variety of bulk properties in polycrystalline materials, so
simulation methods like density functional theory are routinely used to study their structure …

The mechanical properties of a material are affected by the kinetics and thermodynamics of
the grain boundaries (GBs) present in their domain. Various research works, both …

Molecular dynamics simulations are used to examine the migration behavior of one
incoherent twin, a Σ3 (11 8 5)/(8 11 5) grain boundary. The boundary is known to exhibit non …

Continuously exposure to elevated temperature, known as sensitization, can accelerate the
precipitation of the electrochemically active β phase (Al 3 Mg 2) at grain boundaries (GBs) in …

The energetics of triple lines are often negligible in polycrystalline systems, but may play a
significant role in the finest nanocrystals, and in fact lower the excess defect energies of …

Constructing microstructure-property-processing relationships in polycrystalline metals
remains a challenge mainly due to the lack of quantitative relations between grain boundary …

The migration behaviour of different grain boundaries with misorientations close to the Σ3
CSL orientation relationship in high purity Al bicrystals under the capillary driving force and …

Grain boundary (GB) segregation of solute atoms is a key factor affecting the microstructure
and macroscopic properties of materials. In this study, first-principles calculations were …

Grain boundaries (GBs) are fundamental planar defects in metallic materials, exerting a
profound influence on material behaviour and properties. Understanding the influence of GB …