Computer experiments on aluminum single crystal deformation

Two series of computer experiments on the evolution of the atomic structure of aluminum single crystals were performed. Specimens were subjected to pu lse loading and high plastic strains. Atomic interaction was described by t he pseudopotential (in the former case) and the empirical potential (in the latter). The system was strained step by step and, after each step (2%), w as relaxed to a new state at 300 K with a molecular dynamic method. The fin al strain was 70%. The plastic behavior of aluminum differs when described by the different potentials. In both cases, however, deformation proceeds l argely by the twin mechanism. A change-over to another plastic deformation mechanism or scheme depends on interatomic forces, specimen size, and densi ty of defects in a specimen. (C) 2000 MAIK "Nauka/Interperiodica".