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Meeting 2017 TMS Annual Meeting & Exhibition
Symposium The John Cahn Memorial Symposium
Presentation Title Energetic Trends for Twin Boundaries in HCP Metals
Author(s) Maarten de Jong, Liang Qi, Axel van de Walle, Mark Asta
On-Site Speaker (Planned) Liang Qi
Abstract Scope This talk will describe the results of computational studies exploring trends in the the energetics of twin boundaries in hcp transition metals and alloys. The calculations employ a recently developed method for modeling interfacial energies in substitutional alloys from first-principles calculations based on the special quasirandom structure approach. The calculations reveal anomalously low values of twin boundary energies for specific orientations, for hcp metals and alloys with d-band filling near that of the group VII metal rhenium. The origins of this behavior are investigated and linked to the theory of the trends in bulk structural energetics across the transition-metal series, which predicts the stability of topologically close-packed phases containing atomic coordination polyhedra similar to those found in the stable twins in this region of the periodic table. The results are discussed in light of experimental observations of deformation microstructures, and the implications for alloy design are described.
Proceedings Inclusion? Undecided


A DSC Model for Grain Boundary Migration and Properties
Beyond the Gorsky Effect – Exploring Larché-Cahn Open System Elasticity in Experiment
Dislocations, Trijunctions and Grain Rotation
Energetic Trends for Twin Boundaries in HCP Metals
Experimental Measures of Stress-coupled Boundary Migration and the Attendant Mechanical Behavior of Nanocrystalline Films
How Some Quasicrystals Might Grow
John Cahn's Boss, Really?
John Cahn and Aesthetics of Materials
Molecular Dynamics Simulations of Faceted, Incoherent Twin Boundaries
Phase Transition and Anomalous Diffusion in Metastable β Ti-Mo
Quasi-history of Quasi-crystallinity
Thin Film Grain Growth for Twin Related Orientations of Grains

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