[SY-E4] Symposium E-4

[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.