| Abstract Scope |
NiTi shape memory alloys (SMAs) exhibit superelasticity but are challenged by high modulus, nonlinear stress–strain response, and broad hysteresis. We present a calibrated phase‑field modeling framework that bridges theory and experiment to optimize one‑dimensional compositional modulation (CM) parameters—wavelength, amplitude, wave shape, and composition. By analyzing transformation kinetics, strain avalanches, and mechanical hysteresis, we quantitatively validate the model's predictions against experimental benchmarks. We establish processing–structure–property relationships, demonstrating how CM reduces modulus, narrows hysteresis, and tailors stress–strain curvature. This predictive model supports the design of high‑performance SMA systems and aligns with data‑driven materials discovery initiatives. It offers guidelines for fabrication via PVD/CVD/MEB methods and leverages calibration for broader alloy systems. |