The 9th International Conference on Multiscale Materials Modeling

Presentation information

Poster Session

E. Deformation and Fracture Mechanism of Materials

[PO-E1] Poster Session 1

Symposium E

Mon. Oct 29, 2018 5:45 PM - 8:00 PM Poster Hall

[P1-29] The influence of nano-sized Ti3Al particles on the mechanical properties of α-titanium alloys

Yan He1,2,3, Wang Hao1, Dongsheng Xu1, Yang Rui1 (1.IMR, CAS, China, 2.Coll. of Physics Science and Technology, SYNU, China, 3.Univ. of chinese Academy of Sciences, China)

In α-titanium alloys, Ti3Al (α2 phase) precipitates under a perceivable aluminum content. The size and distribution of α2 particles has significant influence on the mechanical property of α-Ti alloys. Experimentally, it is found that nanometric α2 particles drastically decrease the toughness of α-Ti alloys after certain thermal treatment. However, the strength and the ductility do not vary linearly with the size of α2 particles and the atomic details of hardening and fracture remain unclarified. Therefore, we employed molecular dynamic simulation with the embedded-atom potential to systematically study the deformation process of α-Ti with different size and distribution of α2 particles. The result shows that 1) the α/α2 interface is coherent; 2) in an α grain with an α2 particle and incoming dislocations, the existence of an α2 particle blocks the dislocations and the strength increases with the size of the α2 particle; and subsequently cracks nucleate at the impacting site on the gain boundary with the crack stress decreasing with the size of the α2 particle; 3) the resulting strength and toughness vary with the size of the α2 particle in a parabola manner. The present simulation result quantitatively agrees with experiments and helps identifying the critical α2 particle size for the design of structural titanium alloys.