The results for different surfaces show the important effects of surface relaxation and reconstruction on the properties of surface phonons.
不同表面结果的比较显示弛豫及重构对表面声子性质具有决定性的影响。
The surface relaxation and reconstruction are reproduced in the NEMD computational approach, which leads to the increase of system energy during simulation.
晶体的表面弛豫和表面重构现象导致了MD模拟中体系总内能的升高。
Different mechanisms contribute to T1 and T2. Surface relaxation and bulk relaxation contribute to both T1 and T2. Surface, bulk and diffusion relaxations contribute to T2.
不同的机理对T1和T2都有贡献，表面驰豫和体积驰豫对T1和T2有贡献，表面驰豫、体积驰豫和扩散驰豫对T2有贡献。
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