A Study on Effects of Surface Structure Clearance in Nanometer Scale on Molecular Behaviour in the Vicinity of a Liquid-Solid Interface

• Published in: Transactions of the Japan Society of Mechanical Engineers Series B Vol. 71; no. 708; pp. 2112 - 2116
• Main Authors: SHIBAHARA, Masahiko, KUNUGI, Tomoaki, MUKO, Katsumi, KATSUKI, Masashi
• Format: Journal Article
• Language: Japanese
• Published: The Japan Society of Mechanical Engineers 2005
• Subjects: Liquid-Solid Interface; Molecular Diffusion; Molecular Dynamics Method; Nanometer Structure Clearance
• ISSN: 0387-5016; 1884-8346
• DOI: 10.1299/kikaib.71.2112

Molecular static and dynamic behaviours in the vicinity of a liquid-solid interface were calculated by using the classical molecular dynamics method in order to investigate effects of surface structure clearances in nanometer scale on liquid molecular behaviour numerically. Surface structures on the constant surface area were composed of several hundred atoms having the same thermal properties. Surface and liquid regions in the calculation domain were controlled at a constant temperature. Fluid molecular diffusion in the vicinity of the a liquid-solid interface was dependent on the surface structure clearances in nanometer scale that affected the dynamic behaviors of fluid molecules in the vicinity of the surface.