Experimental investigation and thermodynamic description of the Li–Si–Ni ternary system. (December 2015)

• Record Type: Journal Article
• Authors: Long, Zhaohui; Tang, Chihua; Ding, Jing; Gong, Jin; Yin, Fucheng; Jin, Zhanpeng
• Is Part Of: Calphad. Volume 51(2015)
• Page Start: 13
• Page End: 23
• Publication Date: 2015-12
• Subjects: Phase equilibria -- Li–Si–Ni -- First-principle -- CALPHAD; Phase diagrams -- Data processing -- Periodicals; Thermochemistry -- Data processing -- Periodicals; Diagrammes de phases -- Informatique -- Périodiques; Thermochimie -- Informatique -- Périodiques; Thermodynamica; Electronic journals; 541.363
• DOI: 10.1016/j.calphad.2015.06.007
• Languages: English
• ISSNs: 0364-5916

Abstract

Abstract: The 150 °C isothermal section of Li–Si–Ni ternary system has been experimentally established. The investigation is based on X-ray powder diffraction and scanning electron microscopy techniques on about 80 ternary alloys, prepared by argon-arc melting of proper elemental ingots. The existence of six ternary compounds, i.e. τ1 (LiNi2 Si), τ2 (Li13 Ni40 Si31 ), τ3 (LiNi6 Si6 ), τ4 (Li13 Ni9 Si18 ), τ5 (Li0.6 Ni5.4 Si6 ) and τ6 (Li75 Ni20 Si128 ) is conformed. Fourteen three-phase regions have been detected, i.e. Li13 Si4 +τ1 +Li22 Si5, Li13 Si4 +τ1 +τ2, γ+τ1 +τ2, Li7 Si3 +τ4 +τ2, Li7 Si3 +τ4 +Li12 Si7, τ6 +τ4 +Li12 Si7, γ+τ1 +β1, γ+δ+τ2, τ3 +δ+τ5, ε+δ+τ5, NiSi2 +(Si)+τ5, (Si)+τ5 +τ4, τ2 +τ3 +τ4 and τ5 +NiSi+NiSi2 . Furthermore, thermodynamic description of the Li–Ni and Li–Si–Ni systems is carried out with the CALPHAD approach on the basis of the present experimental results and the first-principle calculation of the formation enthalpies for τ1 and τ3 ternary compounds. Reasonable agreement of the phase equilibria in the Li–Si–Ni ternary system between the experiment and thermodynamic calculation is achieved. Highlights: Phase equilibria of the Li–Si–Ni ternary system have been obtained. Li–Ni binary system has been assessed using the CALPHAD approach. Li–Si–Ni ternary system has been reasonably optimized.