Computerized simulation of grain boundary atomic structure in bcc metals and grain boundary interaction with point defects

Generalization of researches, where the investigation of atomic structure of large-angle boundaries and twins in bcc-metals is carried out by mathematical simulation methods, is presented. Problems, important for radiation physics and dealing with interaction of intrinsic point defects, their complexes and helium atoms with intergranular boundary, are considered. Investigation of helium atoms interaction with the grain boundary conducted for the first time at the atomic level has shown their primary segregation at grain boundaries during metal irradiation. Influence of grain boundaries atomic structure and their interaction with intrinsic and impurity point defects on materials radiation vulnerability to damage, on grain-boundary slip and destruction processes is discussed