The number of the four kinds of structures during oscillation increases with decreased temperature from 4500K to 1500K and gradually tends to be stable selleck compound when the temperature is <1500K. When silicon is the center atom, five kinds of fourfold coordination structures exist: Si1C4, Si2C3, Si3C2, Si4C1, and Si5. Figures 5(c) and 5(d) show that the number of the five kinds of structures from more to less is Si3C2, Si4C1, Si2C3, Si5, and Si1C4. Very few Si5 and Si1C4 structures exist, indicating that no silicon atomic segregation occurs and no crystal structure forms throughout the entire solidification process.In consideration of the threefold carbon atoms and fourfold silicon atoms accounting for a large proportion after solidification, the combination mode for these atoms must be intensively investigated.

Figure 6 shows the six typical combination modes of threefold carbon atoms and fourfold silicon atoms.Figure 6Six typical combination modes of carbon atoms and silicon atoms. ((a), (b), and (c) central atom is the neighbor atom of 3-3, 3-4, 4-4 coordination, (d), (e), and (f) sharing neighbor atom of 3-3, 3-4, 4-4 coordination).Figures 6(a), 6(b), and 6(c) represent the central atom as the neighboring atom of the other structure (the red bond connects two center atoms). Figure 6(a) shows two threefold coordination structures connected by two carbon atoms that are the center atoms of the two structures, and the two structures are not in the same plane. The bond angles of Si�CC�CSi and C�CC�CSi are both ~120��, and the lengths of the C�CC and C�CSi bonds are ~1.45 and ~1.

85?, respectively, which corresponds to the location of the first peaks of gC�CC(r) and gC�CSi(r) in Figures 1(b) and 1(c). Figure 6(b) shows a threefold and a fourfold coordination structure connected by a carbon atom and a silicon atom, which are the center atoms of the two structures. Figure 6(c) shows two fourfold coordination structures connected by two silicon atoms, which are the center atoms of the two structures. Figures 6(d), 6(e), and 6(f) show the connection of the two structures by sharing a neighboring atom. Figure 6(d) shows two threefold coordination structures connected by sharing a neighbor carbon atom and forming a short-range structure C�CC�CC. The distance of the two carbon atoms farthermost apart is ~2.55?, which corresponds to the location of the second peak of gC�CC(r) in Figure 1(b).

Two structures form a twisty chain structure. Figure 6(e) shows a threefold and a fourfold coordination structure connected by sharing the neighboring GSK-3 carbon atom. Figure 6(f) shows two fourfold coordination structures connected by sharing the neighboring silicon atom and forming a short-range structure Si�CSi�CSi. The distance of the two farthermost silicon atoms is ~3.