繰り込み群分子動力学によるシリコン単結晶切削時の欠陥生成プロセス解析

抄録

Renormalization group molecular dynamics has been proposed to simulate physical phenomena in various scales ranging from nanometer to micrometer. The method can handle various scales not only in separate manner but also in combined manner such that microscale phenomena which occur only in macroscale field can be analyzed by re-doing locally zoomed simulation based on results in macroscale simulation. The method is then used to analyze how defects can be formed in a monocrystal silicon when it is machined. The mechanism which has been made clear is combined static/dynamic one such that a locally unstable static stress state causes micro shearing triggerd by dynamically repeated tensile/compressive action caused by acoustic wave. This event then creates amorphous zone with weakened material property in crystal structure under the relief face of a tool and leads to formation of a microcrack-like defect there, again by dynamic tensile stress associated with acoustic wave passing through the region.