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Pré-Publication, Document De Travail Année : 2020

Atomistic simulations of temperature-driven microstructure formation in pure Titanium

Résumé

Titanium and its alloys undergo temperature-driven martensitic phase transformation leading to the development of very complex microstructures at meso-scale. Optimizing the mechanical properties of these materials requires a deep understanding of the links between the processing parameters and the mechanisms involved in the microstructure formation and evolution. In this work, we study the temperature-induced phase transition from BCC to HCP in pure titanium using an overdamped Langevin dynamics with an empirical interatomic potential. We simulate the transition under different stress conditions and carry a detailed analysis of the final martensitic morphology by using a deformation gradient map that characterizes the local lattice distortion. Our results show how mechanical constraints play a fundamental role in defect and microstructure formation.
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Dates et versions

hal-02921359 , version 1 (28-08-2020)

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  • HAL Id : hal-02921359 , version 1

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Carolina Baruffi, Alphonse Finel, Yann Le Bouar, Brigitte Bacroix, O.U. Salman. Atomistic simulations of temperature-driven microstructure formation in pure Titanium. 2020. ⟨hal-02921359⟩
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