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Brigham Young University

Molecular dynamics

2019

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An Atomistic Approach For The Survey Of Dislocation-Grain Boundary Interactions In Fcc Nickel, Devin William Adams Aug 2019

An Atomistic Approach For The Survey Of Dislocation-Grain Boundary Interactions In Fcc Nickel, Devin William Adams

Theses and Dissertations

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 …