J. Mater. Sci. Technol. ›› 2023, Vol. 134: 151-162.DOI: 10.1016/j.jmst.2022.06.041

• Research Article • Previous Articles     Next Articles

A first-principle assisted framework for designing high elastocaloric Ni-Mn-based magnetic shape memory alloy

Xiao-Ming Huanga, Ying Zhaoa, Hai-Le Yana,*(), Shuai Tangb, Yiqiao Yangc, Nan Jiaa, Bo Yanga, Zongbin Lia, Yudong Zhangd, Claude Eslingd, Xiang Zhaoa,*(), Liang Zuoa   

  1. aKey Laboratory for Anisotropy and Texture of Materials (Ministry of Education), School of Material Science and Engineering, Northeastern University, Shenyang, 110819, China
    bState Key Laboratory of Rolling and Automation, Northeastern University, Shenyang, 110819, China
    cAnalytical and Testing Center, Northeastern University, Shenyang, 110819, China
    dLaboratoire d’Étude des Microstructures et de Mécanique des Matériaux (LEM3), CNRS UMR 7239, Universitéde Lorraine, 57045 Metz, France
  • Received:2022-04-15 Revised:2022-06-14 Accepted:2022-06-14 Published:2022-07-25 Online:2023-01-10
  • Contact: Hai-Le Yan,Xiang Zhao
  • About author:zhaox@mail.neu.edu.cn (X. Zhao).
    * E-mail addresses: yanhaile@mail.neu.edu.cn (H.-L. Yan),

Abstract:

A large adiabatic temperature change (∆Tad) is a prerequisite for the application of elastocaloric refrigeration. Theoretically, a large volume change ratio (∆V/V0) during martensitic transformation is favorable to enhance ∆Tad. However, the design or prediction of ∆V/V0 in experiments is a complex task because the structure of martensite changes simultaneously when the lattice parameter of austenite is tuned by modifying chemical composition. So far, the solid strategy to tailor ∆V/V0 is still urgently desirable. In this work, a first-principles-based method was proposed to estimate ΔV/V0 for Ni-Mn-based alloys. With this method, the substitution of Ga for In is found to be an effective method to increase the value of ΔV/V0 for Ni-Mn-In alloys. Combined with the strategies of reducing the negative contribution of magnetic entropy change (via the substitution of Cu for Mn) and introducing strong crystallographic texture (through directional solidification), an outstanding elastocaloric prototype alloy of Ni50(Mn28.5Cu4.5)(In14Ga3) was fabricated experimentally. At room temperature, a huge ∆Tad of -19 K and a large specific adiabatic temperature change of 67.8 K/GPa are obtained. The proposed first-principle-assisted framework opens up the possibility of efficiently tailoring ∆V/V0 to promote the design of advanced elastocaloric refrigerants.

Key words: Magnetic shape memory alloy, Elastocaloric effect, First-principles calculation, Martensitic transformation, Volume change ratio