使用分子动力学方法模拟了低能H原子与碳氢薄膜的作用过程,以了解基于核聚变装置中等离子体与C基材料的相互作用机制。模拟中使用REBO(reactive empirical bond order)势函数来描述C-H体系中原子间的相互作用,并使用Berendsen热浴来控...使用分子动力学方法模拟了低能H原子与碳氢薄膜的作用过程,以了解基于核聚变装置中等离子体与C基材料的相互作用机制。模拟中使用REBO(reactive empirical bond order)势函数来描述C-H体系中原子间的相互作用,并使用Berendsen热浴来控制体系的温度。文中着重探讨了入射能量对低能H原子刻蚀碳氢薄膜的影响,入射能量分别为0.3,1,5和10eV。模拟结果显示随着入射能量的增加,H原子的吸附率增加,C原子和H原子的刻蚀率增加。同一能量下H原子比C原子更易发生刻蚀。通过讨论发现在H原子与碳氢薄膜作用过程中,当能量大于1 eV时,由于入射的H原子先沉积在表面并与表面原子发生反应形成碳氢化合物,然后在后续入射粒子的轰击下碳氢化合物在表面发生解吸附现象,从而导致了C原子的刻蚀,因此C原子的刻蚀发生主要是化学增强的物理溅射。展开更多
Molecular dynamics simulations are performed to investigate CF3 continuously bom- barding the amorphous silicon surface with energies of 10 eV, 50 eV, 100 eV and 150 eV at normal incidence and room temperature. The im...Molecular dynamics simulations are performed to investigate CF3 continuously bom- barding the amorphous silicon surface with energies of 10 eV, 50 eV, 100 eV and 150 eV at normal incidence and room temperature. The improved Tersoff-Brenner potentials were used. The simulation results show that the steady-state etching rates are about 0.019, 0.085 and 0.1701 for 50 eV, 100 eV and 150 eV, respectively. With increasing incident energy, a transition from C-rich surface to F-rich surface is observed. In the region modified by CF3, SiF and CF species are dominant.展开更多
文摘使用分子动力学方法模拟了低能H原子与碳氢薄膜的作用过程,以了解基于核聚变装置中等离子体与C基材料的相互作用机制。模拟中使用REBO(reactive empirical bond order)势函数来描述C-H体系中原子间的相互作用,并使用Berendsen热浴来控制体系的温度。文中着重探讨了入射能量对低能H原子刻蚀碳氢薄膜的影响,入射能量分别为0.3,1,5和10eV。模拟结果显示随着入射能量的增加,H原子的吸附率增加,C原子和H原子的刻蚀率增加。同一能量下H原子比C原子更易发生刻蚀。通过讨论发现在H原子与碳氢薄膜作用过程中,当能量大于1 eV时,由于入射的H原子先沉积在表面并与表面原子发生反应形成碳氢化合物,然后在后续入射粒子的轰击下碳氢化合物在表面发生解吸附现象,从而导致了C原子的刻蚀,因此C原子的刻蚀发生主要是化学增强的物理溅射。
基金supported financially by Guizhou Province of China(No.700968101)International Thermonuclear Experimental Reactor(ITER) program special(No.2009GB104006)
文摘Molecular dynamics simulations are performed to investigate CF3 continuously bom- barding the amorphous silicon surface with energies of 10 eV, 50 eV, 100 eV and 150 eV at normal incidence and room temperature. The improved Tersoff-Brenner potentials were used. The simulation results show that the steady-state etching rates are about 0.019, 0.085 and 0.1701 for 50 eV, 100 eV and 150 eV, respectively. With increasing incident energy, a transition from C-rich surface to F-rich surface is observed. In the region modified by CF3, SiF and CF species are dominant.
