Visualization of Molecular Motions by MD Method
Various flows in micro structure have significant influences on the performance of so-called micro machines, the manufacturing processes of semiconductors, and so on. In some cases, such flows are very sensitive to the boundary conditions on the solid wall, namely, the behavior of gas molecule near the surface. In this paper, molecular motions are visualized by the molecular dynamics methods, where the substance is modeled as an aggregate of particles that simulate the molecules. A solid thin film, which is consisted of monatomic molecules, is formed and then a monatomic gas molecule has collide on the surface. The molecular motions are well observed by this visualization and the numerical results reveal that the scattering behavior of the gas molecule is neither specular nor diffuse reflection.
KeywordsIncident Angle Diffuse Reflection Molecular Motion Solid Wall Molecular Dynamic Method
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