The Formation of Segregations and Nanofaceting of Asymmetric Special Grain Boundaries in Al

Formation of segregations of Mg and Ni at the asymmetric special tilt grain boundaries sigma 5{010}/{340}?001? and sigma 5{110}/{710}?001? in Al has been studied using atomistic simulation methods. It has been shown that the formation of segregations can considerably modify the structure of asymmetric grain boundaries (GBs). Although the segregation of Mg is accompanied by local distortions of a GB, its plane slightly deviates from the initial position. At the same time, the segregation of Ni results in nanofaceting of GBs. The role of features of a chemical bond in reconstructing GBs induced by segregations is discussed.