A computational intelligence based dislocation recognition during molecular dynamics simulation

Abstract

Dislocation evolution in metal is the majority response of external stress or strain during the deformation. In this paper, a computational intelligence aided dislocation recognition algorithm which is integrated in a molecular dynamics simulation is proposed. This algorithm is inspired by genetic algorithm(GA) and follows the main GA process in which the initial population is the disperse nodes set and is under the select, crossover to evolve the new generation of nodes set. Finally, two examples of the dislocation recognition during fatigue simulation by using this algorithm is provided with good result when comparing with the traditional MD post process method.