|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Computational Methods for Spatio-temporal Scale-bridging: from Atomistics to Mesoscale
||A Systematic Framework for Predicting Twinning in Hexagonal Close-packed Materials
||Dingyi Sun, Mauricio Ponga, Kaushik Bhattacharya, Michael Ortiz
|On-Site Speaker (Planned)
Magnesium, a hexagonal close-packed material, offers tremendous opportunities as a lightweight alternative to aluminum and steel in many engineering applications. In order to incorporate magnesium into the design of the next generation of complex materials, one must understand its deformation mechanisms. One such mechanism of high importance is twinning. In our work, we propose a mathematical framework, extending upon the Ericksen-Pitteri framework to systematically predict all possible twin modes in a given material (in particular, magnesium). We then make use of large-scale ab initio simulations with the density functional theory code developed within our group, MacroDFT, in order to form an understanding of the energetics behind these twins, identifying which ones are the likeliest to form. We then describe how we hope to use these computational findings to supplement experimental validation and possibly predict novel twin modes which have not yet been visualized in the experimental setting.
||Planned: A print-only volume