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。
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。
The surface relaxation and reconstruction are reproduced in the NEMD computational approach, which leads to the increase of system energy during simulation.
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