The 9th International Conference on Multiscale Materials Modeling

講演情報

印刷

Symposium

E. Deformation and Fracture Mechanism of Materials

[SY-E4] Symposium E-4

2018年10月30日(火) 11:15 〜 12:30 Room2

Chairs: Haifeng Song(Institute of Applied Physics and Computational Mathematics, China), Chenghua Sun(Swinburne University of Technology, Australia)

[SY-E4] First-princples prediction of plastic deformation modes in alloys

○Song Lu, Levente Vitos (KTH Royal Institute of Technology, Sweden)

First-principles alloy theory is used to establish the gamma-surface of alloys. Then we put forward a transparent model solely based on first principles simulations for mapping the deformation modes in alloys. The model bridges intrinsic energy barriers and different deformation mechanisms and resolves the complexity of the observed orientation-dependent deformation mechanisms in alloys. Examples of studies are given in austenitic stainless steels and polysynthetic twinned gamma-TiAl alloys.