Systematic pathway generation and sorting in martensitic transformations: Titanium alpha to omega

Abstract

Structural phase transitions are governed by the underlying atomic transformation mechanism; martensitic transformations can be separated into strain and shuffle components. A systematic pathway generation and sorting algorithm is presented and applied to the problem of the titanium alpha to omega transformation under pressure. In this algorithm, all pathways are constructed within a few geometric limits, and efficiently sorted by their energy barriers. The geometry and symmetry details of the seven lowest energy barrier pathways are given. The lack of a single simple geometric criterion for determining the lowest energy pathway shows the necessity of atomistic studies for pathway determination.

11 pages, 2 figures

References in corpus (4)

• Applications of a tight-binding total energy method for transition and noble metals: Elastic Constants, Vacancies, and Surfaces of Monatomic Metals
• Impurities block the alpha to omega martensitic transformation in titanium
• A New Mechanism for the Alpha to Omega Martensitic Transformation in Pure Titanium
• Tight-binding study of high-pressure phase transitions in titanium: alpha to omega and beyond

Cited by in corpus (4)

• Classical potential describes martensitic phase transformations between the $\alpha$, $\beta$ and $\omega$ titanium phases
• An Empirical Tight-Binding Model for Titanium Phase Transformations
• Isothermal Annealing of Shocked Zirconium: Stability of the Two-phase $\alpha /\omega$ Microstructure
• Observation of a metastable intermediate during solid-solid phase transformation in response to rapid compression