4.5 Article

Transformations of the Microstructure and Phase Compositions of Titanium Alloys during Ultrasonic Impact Treatment Part II: Ti-6Al-4V Titanium Alloy

期刊

METALS
卷 12, 期 5, 页码 -

出版社

MDPI
DOI: 10.3390/met12050732

关键词

titanium alloy; phase transformation; electronic structure; microstructure; molecular dynamics; ab-initio calculation; ultrasonic Impact treatment; transmission electron microscopy

资金

  1. ISPMS SB RAS [FWRW-2021-0010, FWRW-2021-06]

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Experimental and theoretical studies have revealed the microstructure formation patterns in the surface layer of Ti-6Al-4V titanium alloy, including the mixed amorphous and nanocrystalline structures. Molecular dynamics simulations and ab initio calculations have provided insights into the phase transformations during ultrasonic impact treatment, with a proposed mechanism associating the development of strain-induced transformations with the presence of oxygen.
Experimental and theoretical studies enabled the reveal of patterns of the microstructure formation in the surface layer of Ti-6Al-4V titanium alloy subjected to ultrasonic impact treatment. The mixed amorphous and nanocrystalline structure of the 200 nm thick uppermost surface layer of titanium dioxide TiO2 was demonstrated using transmission electron microscopy. The 5 mu m thick intermediate layer containing nanocrystalline alpha grains, and the 50-60 mu m thick lower layer containing fragmented alpha-Ti grains with retained beta phase were also observed. The refinement of the beta-Ti phase during ultrasonic impact treatment was accompanied by the formation of the orthorhombic (alpha '') martensitic phase. Molecular dynamics simulation of strains of a vanadium-doped titanium crystallite subjected to ultrasonic impact treatment revealed the formation of striped dislocation substructures as well as the development of reversible beta ->alpha phase transformations. Ab initio calculations of the atomic structure of V-doped Ti crystallites containing alpha, beta or alpha '' phases of titanium were carried out. On the basis of the results of the experimental observations, a molecular dynamics simulation and ab initio calculations a mechanism was proposed, which associated the development of the strain-induced beta ->alpha '' phase transformations in Ti-6Al-4V alloy with the presence of oxygen. The role of the electronic subsystem in the development of the strain-induced phase transformations was discussed.

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