STRUCTURAL DESIGN METHOD FOR LUBRICANT MOLECULE, DYNAMIC BEHAVIOR ANALYZING METHOD, AND THEIR DEVICES

摘要

PROBLEM TO BE SOLVED: To provide a structural design method for a new lubricant molecule, a dynamic behavior analyzing method, and their devices capable of precisely designing the structure of the aimed lubricant molecule and clarifying the dynamic behavior of the lubricant molecule in a nano-region with high precision. SOLUTION: In this method for the structural design of the lubricant molecule, the structural candidate of the lubricant molecule is determined (S1), a pair of solid walls under the actual sliding conditions are arranged in a simulation space (S2), and the lubricant molecules of the structural candidate are arranged between the solid walls at a density under the sliding conditions (S3). The traction coefficient of the lubricant molecules is calculated (S4), and whether the calculated traction coefficient coincides with the traction coefficient of the aimed lubricant molecule or not is determined (S5). If it coincides, the lubricant molecule of the structural candidate is judged to be the aimed lubricant molecule. If it does not coincide, another structural candidate is determined, and a series of above processes are repeated.