J. Mater. Sci. Technol. ›› 2018, Vol. 34 ›› Issue (4): 613-619.DOI: 10.1016/j.jmst.2017.09.003

Special Issue: Nanomaterials 2018

• Orginal Article • Previous Articles     Next Articles

Modelling thermodynamics of nanocrystalline binary interstitial alloys

Guibin Shan, Yuzeng Chen*(), Mingming Gong, Hao Dong, Feng Liu*()   

  1. State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072, China
  • Received:2016-12-21 Revised:2017-02-21 Accepted:2017-02-23 Online:2018-04-20 Published:2018-05-04
  • Contact: Chen Yuzeng,Liu Feng

Abstract:

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, thermodynamics 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 [J.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.

Key words: Nanocrystalline materials, Grain boundary segregation, Interstitial solid solution, Two-sublattice model, Thermal stability