针对梯度拉伸荷载作用下正方形锯齿型石墨烯薄膜的褶皱变形进行了分子动力学模拟． 研究了石墨烯表面形成褶皱的发展、演化过程，揭示了边界条件和荷载条件对石墨烯褶皱变形的重要影响，得到了褶皱波幅、波长、离面位移和褶皱方向角等随加载位移的变化规律，研究了石墨烯尺寸、温度和荷载梯度对石墨烯褶皱变形的影响． 结果表明:褶皱的发展、演化过程可分为褶皱前期、中期、后期、末期 4 个阶段;随着加载位移增加，褶皱幅值、幅值波长比和最大离面位移逐渐增大，褶皱波长和方向角则减小;尺寸和温度对石墨烯褶皱都会产生重要影响，而荷载梯度对石墨烯褶皱影响甚微．

This paper deals with molecular dynamics simulation of the wrinkling deformation of a zigzag square sin-gle-layer graphene sheet (SLGS) subjected to gradient tensions． In the investigation，the formation and evolution of the wrinkles on graphene surface are analyzed，and the effects of boundary and loading conditions on the wrink-ling deformation are explored． Then，the variations of the wrinkling amplitude，the wavelength，the out-of-plane displacement and the direction angle with the loading displacement are revealed，and the effects of graphene size，temperature and loading grad on the wrinkling are discussed． It is found that (1) the formation and evolution process of wrinkles can be divided into four stages，namely the prophase stage，the metaphase stage，the ana-phase stage and the telophase stage; (2) with the increase in loading displacement，the wrinkling amplitude，the ratio of amplitude to wavelength and the maximum out-of-plane displacement all increase，while the wrinkling wavelength and the direction angle decrease; and (3) both the size and the temperature remarkably affect the gra-phene wrinkling，while the loading grad has little effect on the wrinkling．