KSME International Journal

, 16:1440 | Cite as

Molecular dynamics simulation of adhesion processes



Adhesion of a hemispherical tip to the flat surface in nano-structures is simulated using the molecular dynamics technique. The tip and plates are modeled with the Lennard-Jones molecules. The simulation focuses on the deformation of the tip. Detailed descriptions on the evolution of interaction force, the energy dissipation due to adhesion hysteresis, the formation-growth-breakage of adhesive junction as well as the evolution of molecular distribution during the process are presented. The effects of the tip size, the maximum tip approach, the tip temperature, and the affinity between the tip and the mating plate are also discussed.

Key Words

Molecular Dynamics Simulation Adhesion Nano-Structure 



Distance between upper and lower surfaces




Simulation domain size


Molecular mass


Total number of molecules


Inter-distance between moleculesi andj


Cutoff radius







Greek Symbols


Affinity factor


Energy parameter


Length parameter


Potential function






i th andj th molecules


Period for adhesion process


For tip


For upper plate


Directions in rectangular coordinate


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Copyright information

© The Korean Society of Mechanical Engineers (KSME) 2002

Authors and Affiliations

  1. 1.Department of Mechanical and System Design EngineeringHongik UniversitySeoulKorea

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