… accessible by molecular-dynamics simulation. For this model high-angle grain boundary we
… force thus enabling us to determine the boundary mobility, (b) the activation energy for grain-…

… grain boundaries of more general misorientations. The main focus of this work is to use
molecular dynamics … of shear forces and grain boundary misorientation angles for aluminum at …

… Molecular-dynamics (MD) simulations of fully three-dimensional … microstructures are used
to study grain-boundary (GB) diffusion … of a spherical grain surrounded by a grain boundary to …

… −9 s), our input microstructures were tailored to (i) have a uniform grain shape and a uniform
grain size of nm dimensions and (ii) contain only high-energy grain boundaries which are …

… We report on molecular dynamics simulations of an isolated cylindrical grain in copper
shrinking … At low temperatures, the coupling between grain boundary (GB) migration and grain …

The atomic structures of the grain boundaries (GBs) in nanocrystalline materials and their
effect on properties have been the subject of extensive discussion ever since the first ultrafine-…

… In the present study, grain boundary (GB) mobility was determined by molecular dynamics
(MD) simulations using two different techniques: the applied strain method and the adapted …

… investigate grain boundary migration by molecular dynamics … driving force on grain boundary
atoms and enlarging the … associated with the motion of grain boundaries. With the new …

… In particular, we perform three-dimensional, half-loop molecular dynamics simulations of
the steady-state migration of a series of high angle, <1 1 1> tilt grain boundaries in aluminum …

… grain boundary region. From the room-temperature deformation properties, a reduction in
plastic strain is observed when grain boundaries … within the grain boundary region exists under …