Atomistic simulations of the deformation behavior of an Nb nanowire embedded in a NiTi shape memory alloy

[Display omitted] The influence of pre-strain and temperature on the superior properties exhibited by an Nb nanowire embedded in a NiTi shape memory alloy (SMA) are investigated via molecular dynamics simulations. To this end, a new Nb-Ni-Ti ternary interatomic potential based on the second nearest-...

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Bibliographic Details
Published in:Acta materialia 2022-04, Vol.228, p.117764, Article 117764
Main Authors: Lee, Jung Soo, Ko, Won-Seok, Grabowski, Blazej
Format: Article
Language:English
Subjects:
Interatomic potential
Molecular dynamics
Nanowire
Quasi-linear elasticity
Shape memory alloy
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Summary:[Display omitted] The influence of pre-strain and temperature on the superior properties exhibited by an Nb nanowire embedded in a NiTi shape memory alloy (SMA) are investigated via molecular dynamics simulations. To this end, a new Nb-Ni-Ti ternary interatomic potential based on the second nearest-neighbor modified embedded-atom method (2NN MEAM) is developed and employed. The origin of the unique phenomena of quasi-linear elasticity, slim hysteresis, and reduction in Young's modulus observed for pre-strained nanowire-SMA composites is uncovered. The results demonstrate the importance of plastic deformation in the embedded Nb nanowires and reveal how the deformation facilitates the just-mentioned, unprecedented phenomena. A simple and straightforwardly obtainable descriptor to correlate and monitor the Young's modulus evolution during pre-straining is proposed. Furthermore, our simulations suggest that the desired Young's modulus can be obtained for a wide range of application temperatures through appropriate pre-straining.
ISSN:1359-6454
1873-2453
DOI:10.1016/j.actamat.2022.117764