Solute segregation is a crucial means of stabilizing nanostructured alloys, and at very small
grain sizes, this requires consideration of triple junctions (TJs), which attain a meaningful …

We present a systematic methodology, built within the Open Knowledgebase of Interatomic
Models (OpenKIM) framework (https://openkim. org), for quantifying properties of grain …

Relaxation processes are crucial for understanding the structural rearrangements of liquids
and amorphous materials. However, the overarching principle that governs these processes …

Grain boundary solute segregation influences most bulk material properties, and
understanding solute thermodynamics at grain boundaries is critical for engineering them …

The kinetics of atomic attachments at the liquid/solid interface is one of the foundations of
solidification theory, and to date one of the long-standing questions remains: whether or not …

We present the atomic shear-induced segregation in binary metallic glasses. Molecular
dynamics simulation was performed on atomic slabs (rectangular parallelepipeds) of Al 90 …

Local atomic environment (LAE) representations have enabled a deeper understanding of
complex alloy configurations, by enabling machine learning and data science approaches to …

By employing the non-equilibrium molecular dynamics (MD) simulations and the time-
dependent Ginzburg–Landau (TDGL) theory for the solidification kinetics, we predict the …

Defect engineering provides access to a much larger range of material properties and is
particularly necessary when designing any high-defect density material such as …

Grain boundary solute segregation influences most bulk material properties, and
understanding solute thermodynamics at grain boundaries is critical for engineering them …