Molecular Dynamics Simulation on the Interaction between a Nano-scale Sphere and a Plane

• Main Authors: Kung Ching Haung, 黃功慶
• Other Authors: J. J. Wu
• Format: Others
• Published: 2012
• Online Access: http://ndltd.ncl.edu.tw/handle/28338383899095443498

碩士 === 長庚大學 === 機械工程學系 === 100 === Molecular dynamics simulation is used to analyze the interaction between a nano-scale fcc-sphere and a plane. First of all, the structure for the sphere and plane is established. The interaction force between atoms is assumed to follow the Lennard-Jones potential. Then the equation of motions for the atoms can be solved. The sphere radius, the velocity of the sphere and the lattice directions of (010) and (111) are used as parameters. Then, simulation is employed by the molecular dynamics simulation software Lammps. The relationship among the total force, contact radius and the distance is obtained. The results are compared with the JKR and the DMT models. Form the results, it is found that: The velocity of the sphere does not affect the contact behavior much. Therefore, the results can be compared with static continuum mechanics theory. The results are affected by the effective Young’s modulus, sphere radius and the Tabor parameter. The effective Young’s modulus needs to be corrected for the interaction between a sphere and a plane.