The energies of a set of 388 distinct grain boundaries have been calculated based on
embedded-atom method interatomic potentials for Ni and Al. The boundaries considered are …

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

The absolute grain boundary mobility of 388 nickel grain boundaries was calculated using a
synthetic driving force molecular dynamics method; complete results appear in the …

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 …

We demonstrate that grain boundaries (GBs) behave as Brownian ratchets, exhibiting
direction-dependent mobilities and unidirectional motion under oscillatory driving forces or …

As current experimental and simulation methods cannot determine the mobility of flat
boundaries across the large misorientation phase space, we have developed a …

Grain boundary stiffness and mobility determine the kinetics of curvature-driven grain
growth. Here the stiffness and mobility are computed using an analysis of fluctuations in the …

Solute atoms segregate and impose a retarding pressure, also known as solute drag
pressure, at the grain boundary (GB) leading to reduced GB migration rates. The solute drag …

We present an analysis, based upon atomistic simulation data, of the effect of Fe impurities
on grain boundary migration in Al. The first step is the development of a new interatomic …

Computational studies aimed at extracting interface mobilities require driving forces orders
of magnitude higher than those occurring experimentally. We present a computational …