AFM“突跳”、“颈缩”分子动力学仿真.pdfVIP

第29卷第4期增刊 仪 器 仪 表 学 报 V01．29No．4 塑墨堡兰旦． 一 璺塾!堡塑!旦婴型垡墅!呈坐!堡!堕塑塑曼坐垒墼兰堂 AFM “突跳、 “颈缩分子动力学仿真木 田文超 中海兰 刘焕玲 (西安电子科技大学机电工程学院西安710071) 摘要针对AFIVl针尖同试样面的接触问题，利用分子动力学模拟了针尖同试样面问的粘着和分离过程；分析了接触力随 间隙和试样面原子层数的变化关系；讨论了零载荷以及受压状态下试样面原子压力分布。通过模拟，得到“突跳”粘着和“颈 缩”分离现象，并且分离过程的作用力相对于粘着过程呈现明显的滞后。 关键词分子动力学突跳颈缩原子力显微镜 Molecular SimulationofAtomicForce Back’’and Dynamics Microscope‘‘Snap “Neck Separation’’ TiallWenchaoShenHaiianLiuHuanlin 710071 (School universiO，xianChina) ofElectra-MechanicalEngineeringxidian is to AbstractThecontactforcebetweenthe andthe the theatomicforce tip samplekey contactofthe molecular withthe issimulatedthe ofthe sample relationships tip by dynamics(MD)．The adhesionwiththe andtheatomicofthe are distributionisdiscussed．The gap layer sampleanalyzed．Thepressure of back”andthe“neck discovered．Thebetweenthecontact phenomenathe“snap separation”are hysteresis andthe isobtained．The thecloseatomicinthecontactarea process separateprocess conclusions，only layer affectsthe simulationshowsthatatomsnearthecontactareaare andthosefarfrom adhesion，is got．The pressed thecontactareaare pulled． wordsmolecular simulationbackneck AFM Key dynamics snap separ