|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Computational Methods for Spatio-temporal Scale-bridging: from Atomistics to Mesoscale
||I-1: Study of the Structure and Deformation Pathways of Ti-7Al Using Atomistic Simulations, Experiments and Characterization
||Ajey Venkataraman, Paul A Shade, G. Babu Viswanathan, Michael J Mills, Michael D Sangid
|On-Site Speaker (Planned)
Ti-7Al is a good model material for mimicking the response of Ti-6Al-4V, a widely used engineering material. In this study, the ordering of atoms in the alloy is investigated using atomistic modeling by considering various atomic arrangements. The elastic constants of the three structures considered are calculated using Molecular Dynamics simulations and were compared against experimental results on Ti-7Al single crystal; and good agreement was found between the two. Further, the deformation pathways are established by means of the gamma-surfaces for the different slip systems. Also, the Suzuki effect is studied using Density Functional Theory simulations to understand the preference of the Aluminum atoms to stay at or away from the fault plane. The results help understand the deformation mechanisms in this alloy.
||Planned: A print-only volume