2010 Fiscal Year Final Research Report

Atomistic study on the difference in thermo-mechanical properties of metal glass and amorphous alloy

Research Project

Project/Area Number	20560095
Research Category	Grant-in-Aid for Scientific Research (C)
Allocation Type	Single-year Grants
Section	一般
Research Field	Materials/Mechanics of materials
Research Institution	Osaka Prefectural College of Technology
Principal Investigator	NAKATANI Keiko Osaka Prefectural College of Technology, 総合工学システム学科, 准教授 (60295714)
Project Period (FY)	2008 – 2010
Keywords	計算科学 / アモルファス / ガラス / 分子動力学法 / 力学特性
Research Abstract	To examine the fundamental characteristics of the geometric and mechanical structure of amorphous material on an atomic scale, molecular dynamics simulations for deformation process of a single-component atomic system are carried out under the constant-pressure condition. Voronoi polyhedron analysis and calculation of the radial distribution function and the mean square displacement are performed to study the transition of characteristic features of the atomic structure in the process. It is proven that the obtained quasi-stable atomic structures have a radial distribution with the second peak separated into two apexes and are almost the Voronoi polyhedron which contains more than 5 pentagonal planes. Strong correlation between the volume of the polyhedron and the first invariant of the stress is recognized and the atom which has the (0 0 12 0)-type polyhedron.