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Nano materials were widely used because of their unique structures and properties, and nano joining technology was also developed. In the field of nanofabrication, although there were many varieties of advanced microscopy methods, it was difficult to observe and analyze many phenomenons and behaviors of nano materials by experiments due to the restrictions of real-time observation. Molecular dynamics simulation within nanometer spatial scales and nanoseconds time scale allowed insight into molecular motions on an atomic scale since it was consistent with the time and spatial scales of many processes in nanofabrication. Therefore, it was feasible to use molecular dynamics simulation to simulate the properties of nanomaterials and the dynamic behavior of atoms in the nano joining processes. Herein, the progresses of molecular dynamics simulation of nano-scale materials, including nanomultilayers, nanowires, carbon nanotubes and nanoparticles in the nanojoining processes, as well as applications of these materials for joining of large size materials were reviewed. Meanwhile it is illustrated that the simulation results are in good agreement with the experimental ones. The existing problems, possible solutions and development trends were discussed. © 2019, China Mechanical Engineering Magazine Office. All right reserved.
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