| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Powder Materials Processing and Fundamental Understanding
|
| Presentation Title |
Studying SiOC Atomic Structures via Synchrotron X-ray and Reactive Force Field Potential Studies |
| Author(s) |
Kathy Lu, Harrison Chaney |
| On-Site Speaker (Planned) |
Kathy Lu |
| Abstract Scope |
Silicon oxycarbide (SiOC) is a unique system that can generate various compositions and microstructures via different polymeric precursors and pyrolysis conditions. However, understanding of the resulting atomic structures, such as nanocluster phase types and sizes as well as atomic coordination, is lacking. In this study, new nanocluster phase identification and atomic pair distribution functions of different carbon-containing SiOC ceramics pyrolyzed at 1200°C and 1500°C were investigated. Also, a new ReaxFF molecular dynamics modeling approach was developed to understand the nanocluster size and distribution as well as atomic radial distribution function. The experimental and simulation data are compared to uncover the effects of starting polymer precursor compositions and pyrolysis temperatures on the evolution of atomic microstructures and nanosized phase regions of different SiOCs. |
| Proceedings Inclusion? |
Planned: |