Molecular dynamics simulations were performed to study the interaction between atomic hydrogen and silicon carbide. In the present study, we focus on the effect of the surface temperature on H interacting with silicon...Molecular dynamics simulations were performed to study the interaction between atomic hydrogen and silicon carbide. In the present study, we focus on the effect of the surface temperature on H interacting with silicon carbide. The simulation results show that the retention of H atoms in the sample decreases linearly with increasing surface temperature. The depth profile analysis shows that the sample is modified by H bombardment, and the density of H atoms is greater than those of Si and C atoms near the interface region between the H-containing region and the bulk. However, near the surface region the densities of H, Si and C atoms are almost equivalent. In the modified layer, the bonds consist of Si-C and Si-H and C-H. The fraction of Si-C bonds is the greatest. Only a few C-H bonds are present.展开更多
Molecular dynamics （MD） simulations were performed to investigate F＋ continuously bombarding SiC surfaces with energies of 100 eV at different incident angles at 300 K. The simulated results show that the steady-st...Molecular dynamics （MD） simulations were performed to investigate F＋ continuously bombarding SiC surfaces with energies of 100 eV at different incident angles at 300 K. The simulated results show that the steady-state uptake of F atoms increases with increasing incident angle. With the steady-state etching established, a Si-C-F reactive layer is formed. It is found that the etching yield of Si is greater than that of C. In the F-containing reaction layer, the SiF species is dominant with incident angles less than 30°. For all incident angles, the CF species is dominant over CF2 and CF3.展开更多
基金supported by the Program for Outstanding Young Scientific and Technological Personnel Training of Guizhou Province of China （No. 700968101） and the International Thermonuclear Experimental Reactor （ITER） Special Program of China （No. 2009GB104006）
文摘Molecular dynamics simulations were performed to study the interaction between atomic hydrogen and silicon carbide. In the present study, we focus on the effect of the surface temperature on H interacting with silicon carbide. The simulation results show that the retention of H atoms in the sample decreases linearly with increasing surface temperature. The depth profile analysis shows that the sample is modified by H bombardment, and the density of H atoms is greater than those of Si and C atoms near the interface region between the H-containing region and the bulk. However, near the surface region the densities of H, Si and C atoms are almost equivalent. In the modified layer, the bonds consist of Si-C and Si-H and C-H. The fraction of Si-C bonds is the greatest. Only a few C-H bonds are present.
基金supported by the Program for Outstanding Young Scientific and Technological Personnel Training of Guizhou Province of China （No. 700968101） and the International Thermonuclear Experimental Reactor （ITER） Special Program of China （No. 2009GB104006）
文摘Molecular dynamics （MD） simulations were performed to investigate F＋ continuously bombarding SiC surfaces with energies of 100 eV at different incident angles at 300 K. The simulated results show that the steady-state uptake of F atoms increases with increasing incident angle. With the steady-state etching established, a Si-C-F reactive layer is formed. It is found that the etching yield of Si is greater than that of C. In the F-containing reaction layer, the SiF species is dominant with incident angles less than 30°. For all incident angles, the CF species is dominant over CF2 and CF3.
