707 分子動力学法を用いた Ni-Ti ナノ合金の変形挙動に関する研究

概要

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Downsized Ni-Ti alloy makes its shape memory property better. Now we evaluate deformation property on nano scale Ni-Ti alloy by molecular dynamics simulation. For interactions in Ni-Ti alloy, we use EAM potential function. In uniaxial tensile simulation of B2 structured-Ni-Ti monocrystal composed of 2176 atoms, it is observed that sudden stress relaxation behavior occurs. This is because, first, tensile loading gives all atoms elastic energy, then, some atoms of model edge exhibit extremely high potential energy and crystalline structure around these atoms changes by slip or lattice transformation. We conduct subsequent un-loading heating, and cooling simulation, in which increase of stress including recovery of lattice structure is observed. It shows possibility of shape memory effect as appearing in martensitic transformation.
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