Dresden 2026 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 16: Functional Materials II

MM 16.7: Talk

Tuesday, March 10, 2026, 15:30–15:45, SCH/A216

Response of NiTi martensite to mechanical loading — •Miroslav Černý and Petr Šesták — Central European Institute of Technology, CEITEC, Brno University of Technology, Purkyňova 123, Brno, Czechia

Shape-memory alloys are unique materials capable of undergoing large reversible strains and exhibiting the shape-memory effect, which is driven by external changes of temperature. These remarkable properties are based on a martensitic transformation between austenite (high-temperature phase) and martensite (low-temperature phase). The NiTi shape memory alloy has become the most widely used shape memory material in industrial, high-tech, and medical ap-plications due to its unique thermal and mechanical properties.

In this work we aim at fundamental understanding of the behavior of twins in the martensite structure under mechanical loading. For this purpose, we constructed computational supercells representing both the perfect and twinned martensite and studied their responses to shear and tensile loading. Such calculations are computationally very demanding when using ab initio approaches. Therefore, we employed machine learning to develop a new interatomic potential, tailored specifically for the martensite struc-ture. Computationally accessible predictions based on the potential were benchmarked from first principles.

Keywords: NiTi alloy; martensite; twinning; machine learning