New post from TYCADMIN
Upcoming TYC Highlight Seminar, IWOM2021 Conference and ONETEP Workshop
Now in its fifteenth year, the Thomas Young Centre is a London-based interdisciplinary research network which brings together a range of groups from across the capital whose research involves materials and molecular modelling and theoretical chemistry.
Allotropy in ultra high strength materials
David Joseph Srolovitz
City University of Hong Kong
Allotropic phase transformations may be driven by the application of stress – this is especially well-known for pressure driven transformations. Recent advances in strengthening materials allow for the application of very large shear stresses as well – opening up vast new regions of stress space. The presence of shear implies that phase transformations depend upon the full stress tensor and crystal/grain orientation. We propose a crystal thermodynamics framework for describing phase transormations in polycrystalline solids and apply it through non-linear elasticity and density functional theory calculations. In particular, we consider bcc➜hcp transformations in iron, fcc➜hcp transformations in nickel, and hcp➜fcc transformations in titanium. The results are quantitatively consistent with a range of experimental observations in these disparate systems.
Troy Van Voorhis,
With Chris-Kriton Skylaris, Jacek Dziedzic and Arihant Bhandari
University of Southampton
15:00 – 16:00 BST Friday 2 July 2021