A computer simulation model which was based upon the principle of cellular automata and molecular dynamics was developed for treating the problem of dislocation structure formation. The simulations revealed the effect of the material data that were assumed for face-centered cubic and body-centered cubic crystals, the cut-off radius which was used for the simulations, the loading conditions (tensile, relaxation, cyclic), and the loading-direction in the glide plane. An approach was presented which was based upon non-linear non-equilibrium thermodynamics and self-organisation theory. This dissipative approach permitted a qualitative and quantitative statement to be made of the conditions which led to dislocation structures. The Bauschinger effect was simulated at the microscopic level.

Simulation of Self-Organised Dislocation Structures in FCC and BCC Single Crystals. D.Sangi, E.A.Steck, S.Bross: Acta Mechanica, 1999, 132[1-4], 93-112