About this Abstract |
Meeting |
MS&T22: Materials Science & Technology
|
Symposium
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Controlled Synthesis, Processing, and Applications of Structural and Functional Nanomaterials
|
Presentation Title |
Inquiry of SiOC Structural Evolution via Synchrotron X-ray and Reactive Force Field Simulation |
Author(s) |
Kathy Lu, Yue Zhou, Harrison Chaney, Ni Yang |
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 structural domains and characteristics, such as atomic coordination, cluster distribution, and phase genesis, is lacking. In this study, the structural cluster size, atomic packing, nanodomains of different carbon-containing SiOC ceramics synthesized at 1200°C and 1500°C, were investigated by synchrotron small-angle X-ray scattering and high energy X-ray method. The high energy X-ray pair distribution function (PDF) was processed and analyzed. Also, a new ReaxFF molecular dynamics modeling approach was developed and compared with the experimental data to uncover the relationship between compositions and pyrolysis temperatures on the evolution of atomic packing and nanodomains of different SiOCs. |