The Visualization of atomic scale structure of polymer-derived amorphous Si-C-O fibers by high-energy X-ray diffraction and reverse Monte Carlo modelling

Suzuya, Kentaro; Kohara, Shinji*; Okamura, Kiyohito*; Ichikawa, Hiroshi*; Suzuki, Kenji*

Polymer-derived Si-C-O fibers have high tensile strength and characteristic electrical properties. The atomic scale structure of the polymer (Polycarbosilane) and the polymer-derived Si-C-O ceramics amorphous fibers has been investigated by high-energy X-ray diffraction. In addition, we applied the reverse Monte Carlo (RMC) modelling method to the diffraction data to visualize for better understanding of the complex structure. By the RMC modelling, the basic structures of the Si-C-O fibers are the three-dimensionally connected SiCO (x = 0-4) tetrahedral random-network structure which is the successive assembly of the SiCO tetrahedral unit which share elements (corners and edges) and the excess carbon atoms which are interconnected and distributed widely in the network cage.