Understanding of the nano-scale kinetics in phase transformation phenomena based on the rare event technique

2015 Fiscal Year Final Research Report

• Project/Area Number: 25420007
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Materials/Mechanics of materials
• Research Institution: Chiba Institute of Technology (2015); The University of Tokyo (2013-2014)
• Principal Investigator: Hara Shotaro 千葉工業大学, 工学部, 准教授 (10401134)
• Project Period (FY): 2013-04-01 – 2016-03-31
• Keywords: 分子動力学 / マルチスケール / 相変態 / 析出

Outline of Final Research Achievements

The degradation phenomena such as the phase transformation in energy materials tend to link with very slow kinetic processes at an atomic scale, which makes it difficult to study the detailed mechanism simply in the framework of classical molecular dynamics due to its limited time scale. In this work, the rare event techniques have been applied to the fundamental processes such as (1) vacancy migration near Ni/NiO interface, (2) cation segregation near zirconia surface and (3) phase transition in zirconia, which successfully allows us to capture the underlying essential physics from an atomic scale.

Free Research Field

機械材料・材料力学