| About this Abstract |
| Meeting |
Materials Science & Technology 2020
|
| Symposium
|
Interfaces and Phase Transformations
|
| Presentation Title |
Computing the Free Energy and Mobility of Cylindrical Interfaces |
| Author(s) |
Anqi Qiu, Ian Chesser, Elizabeth Holm |
| On-Site Speaker (Planned) |
Anqi Qiu |
| Abstract Scope |
An interface is a planar defect that occurs at the intersection of materials with different structural parameters, such as different crystal orientations or phases. The free energy and mobility of interfaces are key parameters in determining microstructural evolution, including grain growth in solids and melting and solidification processes at solid-liquid interfaces. The free energy and mobility of a flat solid-liquid interface have been determined in by applying the synthetic driving force (SDF) molecular dynamics method. In this work, we extend the SDF scheme to determine the free energy and mobility of cylindrical grain boundaries and solid-liquid interfaces, in order to investigate the thermodynamics and kinetics of the interfaces. |