  Structural transformations at interfaces are of profound fundamental interest
as complex examples of phase transitions in low-dimensional systems. Despite
decades of extensive research, no compelling evidence exists for structural
transformations in high-angle grain boundaries in elemental systems. Here we
show that the critical impediment to observations of such phase transformations
in atomistic modeling has been rooted in inadequate simulation methodology. The
proposed new methodology allows variations in atomic density inside the grain
boundary and reveals multiple grain boundary phases with different atomic
structures. Reversible first-order transformations between such phases are
observed by varying temperature or injecting point defects into the boundary
region. Due to the presence of multiple metastable phases, grain boundaries can
absorb significant amounts of point defects created inside the material by
processes such as irradiation. We propose a novel mechanism of radiation damage
healing in metals which may guide further improvements in radiation resistance
of metallic materials through grain boundary engineering.
