Establishment of a framework for quantitative evaluation of elementary process of defomation of metals using atomistic simulations

2015 Fiscal Year Final Research Report

• Project/Area Number: 26820008
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Materials/Mechanics of materials
• Research Institution: Kyoto University
• Principal Investigator: Uranagase Masayuki 京都大学, 工学(系)研究科(研究院), 特定研究員 (00512766)
• Project Period (FY): 2014-04-01 – 2016-03-31
• Keywords: 原子シミュレーション / 転位 / マグネシウム

Outline of Final Research Achievements

The methodology for quantitative evaluation of dislocation nucleation using atomistic simulations is established. Then, dependence of the dislocation nucleation on stresses and temperature for magnesium is studied. In particular, I showed that "enthalpy-entropy compensation" is satisfied for basal and prismatic dislocation nucleations in a magnesium single crystal and the compressive stress in [11-20] can decrease the resolved shear stress for basal dislocation nucleation. In addition, molecular dynamics simulations on uniaxial deformation of magnesium nano pillar and bicrystal in order to study plastic deformations from plane defects.

Free Research Field

材料力学