|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Phase Transformations and Microstructural Evolution
||Application of a Generalized Interface Model for Calculation of Solid-liquid Interfacial Free Energy in Alloys
||Ning Ma, Jeff Hoyt, Sumathy Raman, Mark Asta
|On-Site Speaker (Planned)
Microstructure evolution in materials is governed by interface energetics. While methods are well established to quantitatively describe the composition surrounding interface (through calculations of long range diffusion of constituent elements), a significant gap exists in the subsequent estimation of the composition-dependent interface free energy. In this work, we will discuss application of a new, generalized modeling approach to address this gap. The model is based on a simplified phase field description of the interface, wherein the composition dependent interface free energy is calculated through use of existing thermodynamic databases. Application of the model to a solid-liquid system will be demonstrated as a proof of concept. It will be shown that the model reduces to the well-known Turnbull relationship for the special case of a single component system. The validity of the approach will be established by comparing the estimated interfacial energy with that calculated from rigorous molecular dynamics simulation (using the capillary fluctuation method / Gibbs-Cahn integration).
||Planned: Supplemental Proceedings volume