Stabilizing Effect of (100) Compound Twinning in NiTi Martensite

摘要

According to experimental findings, the martensite structure of NiTi is monoclinic (B19'). However, previous first principles calculations have shown that, after a full optimization of the lattice, the ideal martensite structure relaxed into orthorhombic B33 structure. Present calculations reveal that a presence of twins in a real martensite can stabilize the B19' structure.