Calculation and validation of a grain boundary complexion diagram for Bi-doped Ni. (15th March 2017)

• Record Type: Journal Article
• Authors: Zhou, Naixie; Yu, Zhiyang; Zhang, Yuanyao; Harmer, Martin P.; Luo, Jian
• Is Part Of: Scripta materialia. Number 130(2017)
• Page Start: 165
• Page End: 169
• Publication Date: 2017-03-15
• Subjects: CALPHAD -- Complexion -- Grain boundary -- Interfacial thermodynamics -- Segregation; Materials -- Periodicals; Metallurgy -- Periodicals; Metalen; Legeringen; Materiaalkunde; Metals, metalworking and machinery industries; Metals; Electronic journals; 620.11
• DOI: 10.1016/j.scriptamat.2016.11.036
• Languages: English
• ISSNs: 1359-6462

Abstract

Abstract: A grain boundary (GB) "phase" (complexion) diagram is computed via a lattice type statistical thermodynamic model for the average general GBs in Bi-doped Ni. The predictions are calibrated with previously-reported density functional theory calculations and further validated by experiments, including both new and old aberration-corrected scanning transmission electron microscopy characterization results as well as prior Auger electron spectroscopy measurements. This work supports a major scientific goal of developing GB complexion diagrams as an extension to bulk phase diagrams and a useful materials science tool. Graphical abstract: Highlights: A grain boundary complexion (phase) diagram is computed for Ni-Bi. Predictions have been verified by experiments. Complexion diagrams are an extension to bulk phase diagrams.