The 9th International Conference on Multiscale Materials Modeling

Presentation information

Symposium

I. Multiscale Modeling of Grain Boundary Dynamics, Grain Growth and Polycrystal Plasticity

[SY-I3] Symposium I-3

Tue. Oct 30, 2018 9:45 AM - 11:00 AM Room7

Chair: Peter Voorhees(Northwestern University, United States of America)

[SY-I3] Influence of Solutes at Grain Boundaries on Phase Transformations and Mechanical Response

Invited

Stephen M Foiles, Nathan Heckman, Christopher Barr, Fadi Abdeljawad, Khalid Hattar, Brad Boyce (Sandia National Laboratories, United States of America)

Segregation of solute atoms to grain boundaries is a well-known phenomenon which can modify grain boundary structure, energy and mobility among other properties. In this talk, we present computations of the segregation of Au at grain boundaries in Pt and corresponding experimental validation. The existence of a grain boundary phase transformation between high- and low-segregation states will be demonstrated. The impact of this segregation on the mechanical response of both individual grain boundaries and grain boundary networks will be examined. This work shows that for nanocrystalline samples, the stability of the grain structure against thermal or deformation induced grain growth is enhanced, but that ductility is reduced.