Grain boundary （GB） segregation in nanocrystalline alloys can cause reduction of GB energy, which leads to thermodynamic stabilization of nanostructures. This effect has been modelled intensively. However, the previ...Grain boundary （GB） segregation in nanocrystalline alloys can cause reduction of GB energy, which leads to thermodynamic stabilization of nanostructures. This effect has been modelled intensively. However, the previous modelling works were limited to substitutional alloy systems. In this work, thermodynam- ics of nanocrystalline binary interstitial alloy systems was modelled based on a two-sublattice model proposed by Hillert [M. Hillert, et al. Acta Chem. Scand., 24 （1970） 3618] and an atomic configuration for nanocrystalline systems proposed by Trelewicz and Schuh LI.R. Trelewicz, et al. Physical Review B, 79 （2009） 094112]. The modelling calculations agree with the reported experimental data, indicating that the current thermodynamic model is capable of accounting for the alloying effect in the nanocrystalline binary interstitial alloys.展开更多
基金National Key R&D Program of China (Project No. 2017YFB0703001)NSFC of China (Nos. 51371147, 51101121, 51125002, 51134011, and 51431008)+2 种基金the Research Fund of the State Key Lab. of Solidification Processing (NWPU) (No. 146-QZ-2016)the Fundamental Research Funds for the Central Universities (No. 3102017jc03008)the Shaanxi Young Stars of Science and Technology (No. 2016KJXX-44) for financial supports
文摘Grain boundary （GB） segregation in nanocrystalline alloys can cause reduction of GB energy, which leads to thermodynamic stabilization of nanostructures. This effect has been modelled intensively. However, the previous modelling works were limited to substitutional alloy systems. In this work, thermodynam- ics of nanocrystalline binary interstitial alloy systems was modelled based on a two-sublattice model proposed by Hillert [M. Hillert, et al. Acta Chem. Scand., 24 （1970） 3618] and an atomic configuration for nanocrystalline systems proposed by Trelewicz and Schuh LI.R. Trelewicz, et al. Physical Review B, 79 （2009） 094112]. The modelling calculations agree with the reported experimental data, indicating that the current thermodynamic model is capable of accounting for the alloying effect in the nanocrystalline binary interstitial alloys.
