Modelling of martensite slip and twinning in NiTiHf shape memory alloys

Abstract

High-temperature shape memory alloy NiTiHf holds considerable promise for structural applications. An important consideration for these advanced alloys is the determination of the magnitude of the twinning stress. Theoretical stresses for twinning and dislocation slip in NiTiHf martensites are determined. The slip and twinning planes are (0 0 1) and (0 1 1) for monoclinic and orthorhombic crystals, respectively. The determination of the slip and twinning stress is achieved with a proposed Peierls–Nabarro-based formulation informed with atomistic simulations. In the case of the twin, multiple dislocations comprising the twin nucleus are considered. The overall energy expression is minimized to obtain the twinning and slip stresses. The magnitude of the predicted twinning stresses is lower than slip stresses which explains why the NiTiHf alloys can undergo reversibility without plastic deformation. In fact, the predicted critical resolved shear stress levels of 433 MPa for slip and 236 MPa for twinning in the case of 12.5% Hf agree very well with the experimental measurements. The high slip resistance confirms that these materials can be very attractive in load-bearing applications.

Keywords:

• shape memory materials
• simulation
• twinning
• stresses
• alloys
• atomistic simulation

Acknowledgement

This work was supported by the National Science Foundation [CMMI 13-33884], Washington DC, USA.