Recrystallization at Crack Surfaces as a Specific Fracture Mechanism at Elevated Temperatures—Cellular Automata Simulation

A new hybrid discrete-continuum cellular automata approach is proposed to simulate the process of new phase/grain nucleation and growth. The method couples classical thermomechanics and the logics of cellular automata switching. Within the framework of the hybrid discrete-continuum cellular automata method, the space occupied by the simulated specimen is represented as a cellular automaton—a set of ordered active elements. Every element imitates an immovable region of space related to a part of material being characterized by the certain numerical parameters. The proposed approach enables calculating the magnitude of the local force moments and simulating dissipation of torsion energy leading to the formation of new defect structures. To illustrate the capacity of the proposed hybrid discrete-continuum cellular automata approach, the numerical simulations of thermally activated recrystallization of pure titanium near crack faces were conducted. The 3D cellular automaton simulated the microstructure evolution of the V-notched specimen region that imitated the crack tip vicinity at high homologous temperatures. Calculation of heat expansion with simultaneous thermal stresses accumulation and microrotation initiation was incorporated in the simulations permitting thereby to evaluate the local entropy and to monitor the evolution of crystal defects from initiation to storage. Perspectives of the proposed algorithms for simulations of the mechanical behavior of materials experiencing thermally induced twining or phase transformations are discussed.