Next Article in Journal
Temperature Dependent Phase Transformation Kinetics of Reverted Austenite during Tempering in 13Cr Supermartensitic Stainless Steel
Next Article in Special Issue
Large-Scale Molecular Dynamics Simulations of Homogeneous Nucleation of Pure Aluminium
Previous Article in Journal
Effect of C Addition on as-Cast Microstructures of High Nb Containing TiAl Alloys
Open AccessArticle

The Nucleation and the Intrinsic Microstructure Evolution of Martensite from 332113β Twin Boundary in β Titanium: First-Principles Calculations

1
Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
2
School of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, China
*
Author to whom correspondence should be addressed.
Metals 2019, 9(11), 1202; https://doi.org/10.3390/met9111202
Received: 2 October 2019 / Revised: 1 November 2019 / Accepted: 4 November 2019 / Published: 7 November 2019
A clear understanding on the inter-evolution behaviors between 332113β twinning and stress-induced martensite (SIM) α″ in β-Ti alloys is vital for improving its strength and ductility concurrently. As the preliminary step to better understand these complex behaviors, the nucleation and the intrinsic microstructure evolution of martensite α″ from 332113β twin boundary (TB) were investigated in pure β-Ti at atomic scale using first-principles calculations in this work. We found the α″ precipitation prefers to nucleate and grow at 332113β TB, with the transformation of 332113β TB→130310α” TB. During this process, α″ precipitation firstly nucleates at 332113β TB and, subsequently, it grows inwards toward the grain interiors. This easy transition may stem from the strong crystallographic correspondence between 332113β and 130310α” TBs, and the region close to the 332113β TB presents the characteristics of intermediate structure between β and α″ phases. Kinetics calculations indicate the α″ phase barrierlessly nucleates at 332113β TB rather than in grain interior, where there is higher critical driving energy. Our calculations provide a unique perspective on the “intrinsic” microstructure evolution of martensite α″ from 332113β TB, which may deepen our understanding on the precipitation of martensite α″ and the inter-evolution behaviors between 332113β twinning and martensite α″ in β-Ti alloys at atomic scale.
Keywords: martensite phase transformation; phase transformation kinetics; titanium; first-principle calculation; twin boundary martensite phase transformation; phase transformation kinetics; titanium; first-principle calculation; twin boundary
Show Figures

Graphical abstract

MDPI and ACS Style

Chen, Q.-J.; Ma, S.-Y.; Wang, S.-Q. The Nucleation and the Intrinsic Microstructure Evolution of Martensite from 332113β Twin Boundary in β Titanium: First-Principles Calculations. Metals 2019, 9, 1202.

Show more citation formats Show less citations formats
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop