Investigation of NbC/TiC Heterogeneous Nucleation Interface by First-Principles and Experimental Methods

• Published in: Metals (Basel ) Vol. 9; no. 12; p. 1265
• Main Authors: Dong, Jianhong, Hou, Dejian, Li, Jin-Yan, Huang, Rui
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 01.12.2019
• Subjects: Atoms & subatomic particles; Carbon; Chemical potential; Chemical precipitation; Covalent bonds; Energy; Epitaxial growth; Experimental methods; Experiments; First principles; High strength low alloy steels; Interface stability; Interfaces; Interfacial properties; Mathematical analysis; Morphology; Niobium carbide; Nucleation; Precipitates; Research methodology; Stacking sequence (composite materials); Steel; Titanium carbide

The mechanism of the heterogeneous nucleation of NbC on TiC precipitates was investigated systematically in this paper. The interfacial properties of NbC (100)/TiC (100), NbC (110)/TiC (110), and NbC (111)/TiC (111) interfaces were studied by first-principles calculations. The results showed that th...