The structure and motion of incoherent Σ3 grain boundaries in FCC metals

Understanding the anomalous thermal behavior of Σ3 grain boundaries in a variety of FCC metals

“…We compare driven motion of Ni potentials using a SDF of 1meV/atom, consistent with previous studies. Note that system size is relevant to energy and mobility convergence because defects can interact across periodic boundaries and modify minimum energy structures and grain boundary dynamics [30,31]. A full justification of simulation box lengths with respect to energy and mobility can be found in the work of Humberson and Holm [30,32,33].…”