Establishment of a framework for quantitative evaluation of elementary process of defomation of metals using atomistic simulations
| Project/Area Number |
26820008
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Materials/Mechanics of materials
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| Research Institution | Kyoto University |
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Principal Investigator |
Uranagase Masayuki 京都大学, 工学(系)研究科(研究院), 特定研究員 (00512766)
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| Project Period (FY) |
2014-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2014: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
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| Keywords | 原子シミュレーション / 転位 / マグネシウム / 粒界 / 活性化自由エネルギー |
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| 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.
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Report
(3 results)
Research Products
(15 results)
