309 分子動力学法によるNi-Ti合金の不均質構造における相変態の観察(GS-1.4 分子動力学)

概要

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Ni-Ti alloy is used as shape memory alloy. Reversible phase transformation is basic mechanism of shape memory effect(SME). In addition to the mechanism, it is also important that SME begins with a region of inhomogeneity induced by lattice strain. Now we can obsreve on phase transformation from inhomogeneous structure in Ni-Ti alloy by means of molecular dynamics simulation. For interactions in Ni-Ti alloy, we use EAM potential function. In uniaxial tensile test of B2 structured-Ni-Ti monocrystal composed of 2176 atoms, martensite phase is formed around the model surface via stress induced phase transformation. Constrained atoms for giving displacement speed to the specimen prevent deformation from propagating through the model. This is necessary to make martensite phase remain in the model. It shows that inhomogeneity is essential factor for producing martensite phase in this simulation model.
一般社団法人日本機械学会の論文
2004-03-17