An augmented numerical inverse method for determining the composition-dependent interdiffusivities in alloy systems by u
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Research Letters
An augmented numerical inverse method for determining the composition-dependent interdiffusivities in alloy systems by using a single diffusion couple Weimin Chen, Jing Zhong, and Lijun Zhang, State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083, People’sRepublic of China Address all correspondence to L. Zhang at [email protected]; [email protected] (Received 4 May 2016; accepted 6 July 2016)
Abstract By solving the problems in the previous pragmatic method [Scr. Mater. 90–91, 53–56 (2014)] and including the interdiffusion flux as the criteria, an augmented numerical inverse method was proposed and realized in a house-made code. The proposed augmented numerical inverse method was successfully applied to high-throughput determination of the composition-dependent interdiffusivities in different solid solution alloys ranging from binary, ternary to multicomponent systems by using a single diffusion couple. Moreover, the advance features of the augmented numerical inverse method were also demonstrated.
High-throughput determination of the composition-dependent interdiffusivities in the ternary and higher-order alloy systems has been a long-standing difficulty in the field of materials science, and attracts a wide range of research interests,[1–6] especially with the boost of the Materials Genome Initiative (MGI)[7,8] and/or Integrated Computational Materials Engineering (ICME)[9] projects nowadays. In 2014, two of the present authors proposed a pragmatic numerical inverse method for determining the composition-dependent interdiffusivities in ternary systems by means of a single diffusion couple.[10] Based on the measured composition–distance profiles in a single diffusion couple, the ternary interdiffusivities along the entire diffusion path can be efficiently acquired via the proposed pragmatic numerical inverse method. The reliability of the pragmatic method has been validated in several ternary diffusion couples, including Co–Cr–Nb, Co–Cr–Ta, Co–Nb–Ta, Co–Fe–Ni, and Cu–Ag–Sn,[10,11] by comprehensively comparing with the limited results of the traditional Kirkaldy–Matano method.[12] However, during more than 1-year continuous development of the proposed numerical inverse method, several problems appeared when it was either employed to obtain the high-quality datasets or applied to multicomponent alloys. Therefore, it is necessary to first list those problems and their possible solutions as follows. Problem 1: The determined interdiffusivities at the common intersection points along the diffusion paths of different diffusion couples might be different. Such slight differences truly exist when different sets of adjustable parameters are utilized for different groups of diffusion couples. One of the solutions to completely eliminate such
differences is to employ one set of adjustable parameters in the pragmatic numerical inverse method for different diffusion couples at one or more temperatures. With the only one set of adjustable parameters, the obtained inter
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