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

• 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
• Project Status: Completed (Fiscal Year 2010)
• Budget Amount: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000); Fiscal Year 2010: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2009: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2008: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
• Keywords: 計算科学 / アモルファス / ガラス / 分子動力学法 / 力学特性 / 計算化学

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.

Research Products

• [Journal Article] 非晶質金属の分子動力学シミュレーション(相転移を中心として) (2010)
  • Author(s): 野村栞里、中谷敬子
  • Journal Title: 日本機械学会関西支部機械の強度と形態研究懇話会第6回NCPフォーラム講演論文集 Pages: 1-4
• [Presentation] 非晶質金属のき裂先端場近傍の変形メカニズムの解明 (2011)
  • Author(s): 野村栞里、中谷敬子
  • Organizer: 地域交流メッセ
• [Presentation] アモルファス材料のボロノイ多面体解析による構造評価 (2011)
  • Author(s): 大原和斗、中谷敬子
  • Organizer: 地域交流メッセ
• [Presentation] 非晶質金属の分子動力学シミュレーション(相転移を中心として) (2010)
  • Author(s): 野村栞里、中谷敬子
  • Organizer: 日本機械学会関西支部機械の強度と形態研究懇話会第6回NCPフォーラム
  • Place of Presentation: 滋賀県大津市
  • Year and Date: 2010-03-29
• [Presentation] 非晶質金属の力学特性発現メカニズムの解明 (2010)
  • Author(s): 中谷敬子、野村栞里
  • Organizer: 日本機械学会関西支部強度と形態懇話会、第6回NCPフォーラム講演概要集
• [Presentation] アモルファス金属の材料特性の分子動力学シミュレーション (2009)
  • Author(s): 野村栞里、大原和斗、岸野友哉、中谷敬子
  • Organizer: 日本高専学会第15回年会・講演会
  • Place of Presentation: 愛知県豊橋市
  • Year and Date: 2009-08-28
• [Presentation] アモルファス金属の材料特性の分子動力学シミュレーション (2009)
  • Author(s): 大原和斗、中谷敬子, 他
  • Organizer: 日本高専学会第15回年会・講演会
• [Remarks] ホームページ等