|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Computational Thermodynamics and Kinetics
||The Effects of Quantum Dynamics of Atomic Motion on Dislocation Mobility
||Rodrigo Freitas, Mark Asta, Vasily Bulatov
|On-Site Speaker (Planned)
Recent studies suggested that zero-point vibrations should have important effects on dislocation motion even in heavy refractory metals, explaining long standing discrepancies between experimental estimates and theoretical predictions of the Peierls stress of body-centered cubic crystals at low temperatures. Here we employ Path-Integral Molecular Dynamics to examine the effects of the quantum dynamics of atomic motion on the thermally activated motion of dislocations in α-iron.
||Planned: Supplemental Proceedings volume