多結晶純鉄のヤング率導出方法に関する検討 分子動力学法を用いた弾性域の一軸引張試験解析

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This report describes simulations of uniaxial tensile tests of single crystal pure iron using molecular dynamics and proposal of new calculation method of Young's modulus of polycrystal pure iron. There is a few experimental data of tensile properties of pure iron.In the simulations, tensile directions are [001], [011] and [111], which are axis of rotational symmetry of bcc-type crystals and temperature conditions are 100K-1100K. As results, we have tensile properties, especially stress-strain diagrams are important..From this, Young's modulus of single crystal pure iron are calculated. Young's modulus are different from tensile directions and tend to lower value in high temperature.We propose new calculation method of Young's modulus of polycrystal iron.It is the average of young's modulus of single crystal pure iron.