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Cohesive Mechanism of the FeCr/Ni Interface: A First-Principles Study
Yong Tan,Haizhong Zheng,Guifa Li,Lingling Xiong,Ping Peng 대한금속·재료학회 2016 METALS AND MATERIALS International Vol.22 No.1
Based on previous experimental results, a series of FeCr/Ni interface models have been constructed and analyzed using a first-principles pseudopotential plane-wave method. Several parameters, such as the ideal work of separation (W), formation enthalpy (ΔH), cohesive energy (ΔE), and electronic structure were calculated in order to analyze the bonding performance and adhesion mechanisms of elements along an FeCr/Ni interface. The largest ideal work of separation was obtained for the Fe(100)/Ni(100) interface, which implies that this interface model presented the most stable structure among a series of crystal interface indices, e.g., (100), (110), and (111). With Cr doping, the W of the FeCr(100)/Ni(100) interface was increased by 101.571 mJ/m2. The corresponding ΔH and ΔE values also indicated that the FeCr(100)/Ni(100) interface model was strengthened by doping with chromium. Furthermore, the overlap population ratio, RLBOP (RLBOP= 1.04), of FeCr(100)/ Ni(100) was smaller than that of Fe(100)/Ni(100) (RLBOP = 1.35), which implies that the toughness of the Fe(100)/Ni(100) interface can be improved by the presence of chromium impurities. Moreover, electronic structure analysis provided an understanding of the mechanical performance of the various Fe(Cr)/Ni interface models. Thus, our findings open a potential avenue for the comprehensive study of composite material designs.
Xiaoyong Shu,Shiqiang Lu,Kelu Wang,Guifa Li 대한금속·재료학회 2015 METALS AND MATERIALS International Vol.21 No.4
The hot deformation behavior of as-forged Nitinol 60 alloy (60 wt% Ni, 40 wt% Ti) was studied over the ranges of temperature, 650-850 °C, and strain rate, 0.01-1 s-1, using isothermal constant strain rate compression tests in a Gleeble-3500 simulator. The processing maps, based on the dynamic materials model, were developed to optimize the hot working parameters. The results show that the deformation parameters have a marked effect on the power dissipation efficiency and the instability parameter. A single unstable region (650-775 °C, 0.037-1 s-1), associated with flow localization and/or adiabatic shear, is detected from the processing map. This should be avoided in hot working process. The optimized hot working conditions correspond to 680-790 °C, 0.01- 0.025 s-1 with peak efficiency of 0.45 at 720 °C, 0.01 s-1, and 820-850 °C, 0.1-1 s-1 with peak efficiency of 0.5 at 850 °C, 1 s-1. Microstructure observations indicate that the main deformation mechanism of optimized domains involves dynamic recrystallization.