| Literature DB >> 36079271 |
Qinhan Xia1, Changlong Tan1,2, Binglun Han1, Xiaohua Tian3, Lei Zhao2, Wenbin Zhao2, Tianyou Ma1, Cheng Wang1, Kun Zhang1,2,4.
Abstract
Ni-Mn-Sn ferromagnetic shape memory alloys, which can be stimulated by an external magnetic field, exhibit a fast response and have aroused wide attention. However, the fixed and restricted working temperature range has become a challenge in practical application. Here, we introduced strain engineering, which is an effective strategy to dynamically tune the broad working temperature region of Ni-Co-Mn-Sn alloys. The influence of biaxial strain on the working temperature range of Ni-Co-Mn-Sn alloy was systematically investigated by the ab initio calculation. These calculation results show a wide working temperature range (200 K) in Ni14Co2Mn13Sn3 FSMAs can be achieved with a slight strain from 1.5% to -1.5%, and this wide working temperature range makes Ni14Co2Mn13Sn3 meet the application requirements for both low-temperature and high-temperature (151-356 K) simultaneously. Moreover, strain engineering is demonstrated to be an effective method of tuning martensitic transformation. The strain can enhance the stability of the Ni14Co2Mn13Sn3 martensitic phase. In addition, the effects of strain on the magnetic properties and the martensitic transformation are explained by the electronic structure in Ni14Co2Mn13Sn3 FSMAs.Entities:
Keywords: Ni-Co-Mn-Sn; ferromagnetic shape memory alloys; first-principal calculations; martensitic transformation; strain engineering
Year: 2022 PMID: 36079271 PMCID: PMC9457327 DOI: 10.3390/ma15175889
Source DB: PubMed Journal: Materials (Basel) ISSN: 1996-1944 Impact factor: 3.748
Figure 1(a) Crystallographic structure in Ni16Mn13Sn3 austenitic phase. (b) Crystallographic structure in Ni15CoMn13Sn3 austenitic phase.
Equilibrium lattice parameters, total spin moments and magnetic state of the cubic austenite (Cub.) and tetragonal non-modulated martensite (Tet.) for Ni16−CoMn13Sn3 (x = 0, 1, 2) alloys with strain (−1.5~1.5%).
| Alloys | Strain | Phase | |Δ | Magnetic State | |||
|---|---|---|---|---|---|---|---|
| Ni16Mn13Sn3 | −1.5 | Cub. | 5.85 | 5.94 | 1.36 | 0.06 | AFM |
| Tet. | 5.30 | 7.26 | 1.42 | AFM | |||
| −1.0 | Cub. | 5.88 | 5.94 | 1.37 | 0.05 | AFM | |
| Tet. | 5.33 | 7.26 | 1.42 | AFM | |||
| −0.5 | Cub. | 5.91 | 5.94 | 1.38 | 0.04 | AFM | |
| Tet. | 5.35 | 7.26 | 1.42 | AFM | |||
| 0 | Cub. | 5.94 | 5.94 | 1.39 | 0.04 | AFM | |
| Tet. | 5.38 | 7.26 | 1.43 | AFM | |||
| 0.5 | Cub. | 5.97 | 5.94 | 1.40 | 0.03 | AFM | |
| Tet. | 5.41 | 7.26 | 1.43 | AFM | |||
| 1.0 | Cub. | 6.00 | 5.94 | 1.41 | 0.02 | AFM | |
| Tet. | 5.43 | 7.26 | 1.43 | AFM | |||
| 1.5 | Cub. | 6.03 | 5.94 | 1.42 | 0.01 | AFM | |
| Tet. | 5.46 | 7.26 | 1.43 | AFM | |||
| Ni15CoMn13Sn3 | −1.5 | Cub. | 5.83 | 5.92 | 1.42 | 0.02 | AFM |
| Tet. | 5.35 | 7.06 | 1.44 | AFM | |||
| −1.0 | Cub. | 5.86 | 5.92 | 1.44 | 0.01 | AFM | |
| Tet. | 5.37 | 7.06 | 1.45 | AFM | |||
| −0.5 | Cub. | 5.89 | 5.92 | 1.44 | 0.01 | AFM | |
| Tet. | 5.40 | 7.06 | 1.45 | AFM | |||
| 0 | Cub. | 5.92 | 5.92 | 1.46 | 0 | AFM | |
| Tet. | 5.43 | 7.06 | 1.46 | AFM | |||
| 0.5 | Cub. | 5.95 | 5.92 | 1.47 | 0 | AFM | |
| Tet. | 5.46 | 7.06 | 1.47 | AFM | |||
| 1.0 | Cub. | 5.98 | 5.92 | 1.49 | 0.01 | AFM | |
| Tet. | 5.48 | 7.06 | 1.48 | AFM | |||
| 1.5 | Cub. | 6.01 | 5.92 | 1.50 | 0.01 | AFM | |
| Tet. | 5.51 | 7.06 | 1.49 | AFM | |||
| Ni14Co2Mn13Sn3 | −1.5 | Cub. | 5.84 | 5.93 | 6.98 | 5.48 | FM |
| Tet. | 5.32 | 7.15 | 1.50 | AFM | |||
| −1.0 | Cub. | 5.87 | 5.93 | 7.00 | 5.50 | FM | |
| Tet. | 5.35 | 7.15 | 1.50 | AFM | |||
| −0.5 | Cub. | 5.90 | 5.93 | 7.03 | 5.51 | FM | |
| Tet. | 5.37 | 7.15 | 1.52 | AFM | |||
| 0 | Cub. | 5.93 | 5.93 | 7.06 | 5.54 | FM | |
| Tet. | 5.40 | 7.15 | 1.52 | AFM | |||
| 0.5 | Cub. | 5.96 | 5.93 | 7.08 | 5.56 | FM | |
| Tet. | 5.43 | 7.15 | 1.52 | AFM | |||
| 1.0 | Cub. | 5.99 | 5.93 | 7.10 | 5.58 | FM | |
| Tet. | 5.45 | 7.15 | 1.52 | AFM | |||
| 1.5 | Cub. | 6.02 | 5.93 | 7.13 | 5.58 | FM | |
| Tet. | 5.48 | 7.15 | 1.55 | AFM |
Figure 2Strain change (−1.5~1.5%) of the total energies of Ni16Mn13Sn3 alloys. (a) the austenitic phase. (b) the martensitic phase.
Figure 3Strain change (−1.5–1.5%) of ΔEA-M and ΔEP-F for Ni16Mn13Sn3.
Figure 4Strain change (−1.5~1.5%) of the total energies of Ni14Co2Mn13Sn3 alloys. (a) The austenitic phase. (b) the martensitic phase.
Calculated energy difference ΔEA-M in meV/atom between the austenite and martensite phases, ΔEP-F in meV/atom between the paramagnetic and ferromagnetic state, martensite transition temperature TM and Curie temperature TC in Ni16−CoMn13Sn3 (x = 0, 1, 2) alloys with strain (−1.5~1.5%).
| Alloys | Strain | Δ | Δ | ||
|---|---|---|---|---|---|
| Ni16Mn13Sn3 | −1.5 | 31.7 | 385.7 | 405 | 397 |
| −1.0 | 29.6 | 387.8 | 378 | 399 | |
| −0.5 | 27.6 | 390.0 | 353 | 401 | |
| 0 | 24.6 | 393.3 | 314 | 405 | |
| 0.5 | 22.3 | 395.2 | 285 | 407 | |
| 1.0 | 19.4 | 397.6 | 248 | 409 | |
| 1.5 | 18.5 | 400.7 | 236 | 412 | |
| Ni15CoMn13Sn3 | −1.5 | 30.8 | 392.6 | 394 | 404 |
| −1.0 | 28.1 | 395.9 | 359 | 407 | |
| −0.5 | 26.8 | 397.7 | 343 | 409 | |
| 0 | 23.4 | 398.2 | 299 | 410 | |
| 0.5 | 21.6 | 403.4 | 276 | 415 | |
| 1.0 | 18.7 | 407.3 | 239 | 419 | |
| 1.5 | 17.8 | 410.4 | 227 | 422 | |
| Ni14Co2Mn13Sn3 | −1.5 | 25.8 | 399.6 | 330 | 411 |
| −1.0 | 22.9 | 402.1 | 293 | 414 | |
| −0.5 | 19.0 | 404.8 | 243 | 416 | |
| 0 | 13.2 | 406.9 | 168 | 419 | |
| 0.5 | 12.7 | 410.7 | 162 | 423 | |
| 1.0 | 9.8 | 413.8 | 125 | 426 | |
| 1.5 | 7.2 | 415.7 | 92 | 428 |
Figure 5Relationship of ΔEA-M and experimental TM of alloys.
Figure 6Strain change (−1.5~1.5%) of the TM and the TC in Ni14Co2Mn13Sn3.
Figure 7Strain change (−1.5%, 1.5%) of the TDOS of Ni14Co2Mn13Sn3 alloys. (a) the austenitic phase. (b) the martensitic phase.
Figure 8Strain change (−1.5%, 0%, 1.5%) of the PDOS of Ni14Co2Mn13Sn3 austenitic phase. (a) −1.5% strain, (b) 0% strain, (c) 1.5% strain.
Figure 9Strain change (−1.5%, 0%, 1.5%) of the PDOS of Ni14Co2Mn13Sn3 martensitic phase. (a) −1.5% strain, (b) 0% strain, (c) 1.5% strain.