MULTISCALE MODELING OF THIN FILMS: LINKING DISLOCATION DYNAMICS WITH MACROSCOPIC MECHANICAL BEHAVIOR

摘要

The difficulty in linking macroscopic mechanical behavior of thin films with dislocation-level behavior has hampered multiscale modeling efforts in thin films for many years. Previous research has suggested that knowledge of particular dislocation interactions cannot be readily translated into knowledge of film strength. But in this work, we present a method to unite dislocation dynamics with macroscopic mechanical behavior of thin films. We use dislocation dynamics simulations to statistically characterize the relationship between stress evolution and the behavior of dislocations in films, including specific interactions and interaction strengths. Our novel method applies the knowledge obtained from the simulations to predict not only macroscopic mechanical behavior, but also the types of dislocation interactions that occur, as well as the distribution of stresses.