Atomic periodicity of 〈001〉 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 ((00) ∑1 and (10) ∑1 single crystals, and (1—0) ∑5 coincidence boundary), and the periodicity can be completely described in atomic-scale by the concept of structure unit model.