置于软质（聚合物）基底上的石墨烯片在单轴压缩过程中的褶皱形成
Wrinkle formation during uniaxial compression of a graphene sheet lying on a soft (polymer) substrate
AI总结：
本文通过建模石墨烯/聚合物体系的单轴压缩，揭示软基底渗入与穿透对褶皱形成的影响，并提出利用基底熔化—冷却消除石墨烯褶皱的方法。
摘要：
本文对置于平坦可变形（聚合物）基底上的单层和多层石墨烯片中褶皱与折叠的形成进行了建模。结果表明，基底的可变形性导致出现显著特征。与刚性晶体的平坦表面不同，软质聚合物基底的分子可以渗入石墨烯片的褶皱和折叠中，完全填充片层下方的空隙。此外，片层的垂直折叠不仅可以朝向远离基底的上方，还可以朝向基底内部向下并穿透基底。通过对双组分石墨烯/聚合物体系的单轴压缩进行建模，研究考虑了外压和基底分子的热振动。高外压 p≥150 bar 会使体系初始基态产生明显的额外稳定作用。当单轴压缩超过临界值时，石墨烯片中会出现一组局部化褶皱，其内部由基底分子填充。温度升高会导致褶皱尺寸增大、数量减少。最大的褶皱形成于基底开始熔化之前。熔化会导致所有褶皱和小型折叠完全消失。熔化基底的冷却会使其结晶，但表面石墨烯片中的褶皱体系并不会恢复。因此，聚合物基底的熔化及其随后的冷却可作为一种消除石墨烯片局部化褶皱和折叠的方法。
英文摘要：
Modeling of wrinkles and folds formation in single and multilayer graphene sheets lying on flat deformable (polymer) substrates has been carried out. It is shown that the deformability of the substrate leads to the appearance of significant features. In contrast to the flat surfaces of rigid crystals molecules of soft polymer substrates can penetrate into wrinkles and folds of the graphene sheet, completely filling the voids beneath the sheet. Moreover, the vertical folds of the sheet can be directed not only upward from the substrate, but also down into the substrate, penetrating it. By modeling the uniaxial compression of the two-component graphene/polymer system, the external pressure and thermal vibrations of the substrate molecules have been taken into account. High external pressure $p\ge 150$~bar leads to a noticeable additional stabilization of the initial ground state of the system. At uniaxial compression above the critical value, a system of localized wrinkles whose interior is filled with molecules of the substrate appears in the graphene sheet. Increasing temperature leads to an increase in the size of wrinkles and to a decrease in their number. The largest wrinkles form before the substrate begins to melt. Melting leads to the complete disappearance of all wrinkles and small folds. Cooling of the melted substrate leads to its crystallization, but the system of wrinkles in the graphene sheet on the surface is not restored. Therefore, melting of the polymer substrate and its subsequent cooling can serve as a method getting rid of localized wrinkles and folds of the graphene sheet.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
