|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Algorithm Development in Materials Science and Engineering
||A New Method of Quantifying Solid-solution Hardening at Various Solute Concentrations Using Molecular Dynamics.
||Edwin A Antillon, Christopher Woodward, Satish Rao, Brahim Akdim, Triplicane Parthasarathy
|On-Site Speaker (Planned)
||Edwin A Antillon
In solid solution strengthened alloys, during the glide process, a dislocation moves through a complex energy landscape that is determined in the interplay between elastically opposing and restoring forces and inelastic deformations that results in plastic strain and attendant heat generation. The complex details of the interplay are often ignored in estimating solute-dislocation energy barriers in most simulations since this is typically done using molecular statics at zero temperature. We propose a molecular dynamics method that captures the local energy exchanges in atomistic simulation of dislocation glide at finite temperatures using embedded atomic potentials for Ni(Al) solid solution. In addition to capturing the dislocation-solute energy interactions, this method allows for the natural incorporation of additional terms governing the dislocation motion, such as line tension and solute-solute interactions. We compare our results near critical stress states with the scaling prediction on solute concentration in solid solution models due to Labusch.
||Planned: Supplemental Proceedings volume