Open AccessEffect of cooling rate on structural transformations in Ti-Al-V nanoalloy: molecular dynamics study
Author(s) -
N.Yu. Sdobnyakov,
V. M. Samsonov,
V.S. Myasnichenko,
П.М. Ершов,
A. N. Bazulev,
S A Veresov,
Сергей Сергеевич Богданов,
K. G. Savina
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/2052/1/012038
Subject(s) - molecular dynamics , isothermal process , crystallization , materials science , chemical physics , thermodynamics , nanotechnology , crystallography , chemistry , computational chemistry , physics
Using the isothermal molecular dynamics and the tight-binding potential, crystallization of Ti6Al4V nanodroplets was simulated. The objects of the research consisted of 2869 atoms, including 172 Al atoms and 115 V ones. The OVITO program was employed to recognize local structures and nanophases arisen in the course of cooling nanoalloy with the cooling rates of 0.1 and 0.4 K/ps. We have found that the cooling rate effect on the structure of the Ti6Al4V nanoalloy and the thermally induced structural transformations is much more pronounced than the size effect.