Mechanics of Phase Transformation in NiTi Shape Memory Alloys at The Atomistic Scale

During the past decade, Shape Memory Alloys (SMAs), particularly Nickel-Titanium (NiTi) alloys, have received increasing attention mainly because of their promising role to be integrated into multifunctional systems for actuation, morphing, and sensory capabilities in a broad variety of applications including biomedical, aerospace and seismological engineering. The unique performance of all the novel devices developed by SMAs relies on either the shape memory effect or pseudoelasticity, the two distinctive properties of SMAs. Both these unique properties are based on the inherent capability of SMAs to have two stable lattice structures at different stress or temperature conditions, and the ability of changing their crystallographic structure by a displacive phase transformation between a high-symmetry austenite phase and a low-symmetry martensite phase, in response to either mechanical or thermal loading. These properties make them a superior candidate for using as damping materials under high-strain-rate loading conditions in different engineering fields. SMA materials used in the most applications are polycrystalline in nature. In polycrystalline SMAs at the bulk-level, in addition to the phase transformation at the lattice-level, the thermomechanical response is also highly sensitive to the microstructural properties. In this work, the microstructure, as well as defects, such as dislocations and the stacking faults, are studied in the NiTi crystalline structure. In addition, the performance of NiTi under shock wave loading and vibrations, and their energy dissipation capabilities are examined using computational modeling, globally and locally. The effect of graphitic and metal structures, as reinforcements, on the performance of NiTi matrix composites under static and shock stress wave loading conditions is also investigated at the atomistic scale.