It is well known that grain boundaries (GBs) have a strong influence on mechanical properties of polycrystalline materials. Not as well-known is how different GBs interact with dislocations to influence dislocation movement. This work presents a molecular dynamics study of 33 different FCC Ni bicrystals subjected to mechanical loading to induce incident dislocation-GB interactions. The resulting simulations are analyzed to determine properties of the interaction that affect the likelihood of transmission of the dislocation through the GB in an effort to better inform mesoscale models of dislocation movement within polycrystals. It is found that the ability to predict the slip system of a transmitted dislocation using common geometric criteria is confirmed. Furthermore, machine learning processes are implemented to find that geometric properties, such as the minimum potential residual burgers vector and the disorientation between the two grains, are stronger indicators of whether or not a dislocation would transmit than the other properties such as the resolved shear stress.
College and Department
Ira A. Fulton College of Engineering and Technology; Mechanical Engineering
BYU ScholarsArchive Citation
Adams, Devin William, "An Atomistic Approach for the Survey of Dislocation-Grain Boundary Interactions in FCC Nickel" (2019). Theses and Dissertations. 8636.
grain boundary, dislocation, molecular dynamics, transmission, machine learning