|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Computational Materials Discovery and Optimization – From Bulk to Materials Interfaces and 2D Materials
||Study of Aluminum-Silicon in the Liquid State
||Tara Power, Sumanth Shankar, Jeffrey Hoyt
|On-Site Speaker (Planned)
Aluminum-Silicon (Al-Si) alloys have been vastly modified through minute additions of Strontium, transforming the morphology from coarse and plate-like to fine and fibrous; though the mechanisms involved still elude scientists today.
Understanding the liquid structure of a material is key to uncovering the mechanisms behind the changing morphology. This project is a first principal study into the liquid state of Al-Si, through Density Functional Theory, using the Vienna Ab-initio Simulation Package (VASP). A solution to the many-bodied Schrödinger equation is computed, from which structural information can be uncovered and compared with experimental results found through neutron and synchrotron diffraction. Through an understanding of the fundamental nature of Aluminum-Silicon alloys captured through experimentation as well as computational modelling, a better grasp of solidification characteristics that influence the morphology can be achieved. Such knowledge is useful for refinement of mechanical properties for use in industry.
||Definite: None Selected