Martensitic Transformation in Crystal-Amorphous Superlattices of NiTi Shape Memory Alloy

Bhavna Singh, Shivam Tripathi · arXiv · 2026

Crystal-amorphous superlattices in NiTi are simulated to shift martensitic transformation behavior, boosting reversibility and stiffness while raising transformation critical stress.

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Plain English summary

Shape memory alloys (SMAs) can change structure when heated or stressed, producing useful thermo-mechanical behavior through reversible martensitic transformation. This study uses large-scale molecular dynamics simulations to examine NiTi crystal-amorphous superlattices (CAS) with different crystalline phase fractions. It finds that partial amorphization changes the transformation pathway, adding an initial continuous, second-order-like step before the usual first-order martensitic transformation. The simulations also show that adding an amorphous phase can improve reversibility by reducing thermal hysteresis substantially (from 275 K in fully crystalline NiTi to 95–110 K in CAS-NiTi). At the same time, the elastic modulus and the critical stress needed to trigger stress-induced martensitic transformation increase by about 60–90%, depending on how much material remains crystalline.

Why this matters

The abstract states that the influence of partial amorphization on martensitic transformation and thermo-mechanical behavior in crystal-amorphous superlattices of NiTi remains largely unexplored, and this work investigates it via simulations, reporting pathway changes and performance tuning. No experimental demonstration, prototype, or commercialization evidence is provided; results are simulation-based.

Key findings

  • Partial amorphization modifies the martensitic transformation pathway, adding an initial continuous (second-order-like) transformation before the conventional first-order step.
  • Thermal hysteresis decreases from 275 K (fully crystalline NiTi) to 95–110 K (CAS-NiTi).
  • Elastic modulus increases by ~60–90% depending on crystalline fraction.
  • Critical stress for stress-induced martensitic transformation increases by ~60–90% depending on crystalline fraction.
  • Mechanisms attributed include heterogeneous nucleation at crystal-amorphous interfaces, retained austenite aiding reverse transformation, and mechanical constraint from the amorphous phase.

Limitations

The abstract reports results from large-scale molecular dynamics simulations; it does not provide experimental validation, and it does not specify which specific crystalline/amorphous architectures beyond “different crystalline phase fractions” were studied.

Publication

Publisher
arXiv
Publication date
July 3, 2026
Research type
Preprint
arXiv
2607.03172
Access
open

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Method note: Summaries and ratings on this page are generated by AI from the abstract only. Read the original paper for full context. · Model: gpt-5.4-nano-2026-03-17