Atomic periodicity of left angle 001 right angle symmetric tilt boundary in molybdenum

The grain boundary microstructure and its periodicity of [001] symmetric tilt boundary in molybdenum have been examined by applying the high-resolution transmission electron microscope (HRTEM) observation and the molecular dynamics (MD) method. As a result, it was found that the grain boundary structure consisted of the combination of structure units, which is based on the stable boundaries ((0 anti 10) Σ1 and (1 anti 10) Σ1 single crystals, and (1 anti 30) Σ5 coincidence boundary), and the periodicity can be completely described in atomic-scale by the concept of structure unit model. (orig.)