| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advanced Solid Phase Processing Symposium
|
| Presentation Title |
Shear-induced Diffusion and Intermixing: Atomic-level Perspective from Molecular Dynamics Simulations |
| Author(s) |
Peter V. Sushko, Brianna Collins, Tiffany Kaspar, Junhui Tao, Bharat Gwalani, Arun Devaraj, Tamas Varga, Yang He, Chongmin Wang, Aashish Rohatgi, Cynthia Powell, Suveen N. Mathaudhu |
| On-Site Speaker (Planned) |
Peter V. Sushko |
| Abstract Scope |
Materials processing approaches that bypass melting-solidification, such as high shear rate processing, offer an opportunity to generate a virtually unlimited variety of far-from-equilibrium phases with unique mechanical properties. In order to predictively explore this phase space, it is essential to reveal and learn to control mechanistic pathways of mass transfer, from single atom diffusion to collective effects, under non-equilibrium conditions. We generate atomistic insight into the mechanisms of mass transfer by performic molecular dynamics simulations for two types of immiscible systems. Comparison of the shear-induced dynamics in Cu/Cr heterostructures with an ideal and defect-containing interfaces allows us to identify precursor local structures that promote cross-interface intermixing and domain intergrowth. Simulations of Si particle reorientation in the Al host reveal an interplay of Al and Si diffusion processes at the particle/host interface, modulated by the local density fluctuations. These results are correlated with experimental observations of Cu/Cr and Al-Si shear-induced transformations. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |