A molecular dynamics study of the nucleus interface structure and orientation relationships during the austenite-to-ferrite transformation in pure Fe. (2nd January 2018)

• Record Type: Journal Article
• Authors: Song, H.; Hoyt, J. J.
• Is Part Of: Canadian metallurgical quarterly. Volume 57:Number 1(2018)
• Page Start: 12
• Page End: 19
• Publication Date: 2018-01-02
• Subjects: Solid-state transformation -- heterogeneous nucleation -- barrier-free nucleation -- neighbour vector analysis -- disconnection; Metallurgy -- Periodicals; 669.05
• DOI: 10.1080/00084433.2017.1361183
• Languages: English
• ISSNs: 0008-4433

Abstract

ABSTRACT: Molecular dynamics simulations using an embedded-atom method potential for pure iron (Fe) were performed to investigate the solid-state transformation of a body-centred-cubic phase from a polycrystalline face-centred-cubic matrix. A Kurdjumov–Sachs orientation relationship accompanied with a step-ledge disconnection structure was detected in high mobility phase boundaries of a full 3D classical and barrier-free nucleation specimen. The results imply that interface coherency is an important factor for both nucleation and growth processes, which may significantly affect the transition rate of the austenite–ferrite transformation.