Seminars and Events

Atomistic modeling of γ - γ’ alloys

Date/Time: 17.09.2014. 10:25 a.m.
Place: Ruhr-Universität Bochum, Bochum, Germany

Yuri Mishin, School of Physics, Astronomy and Computational Sciences, Geroge Mason University, Fairfax, VA, USA

This talk will present an overview of recent atomistic computer simulations of γ -γ' structures in the Ni-Al system as well as ternary systems such as Ni-Al-Co and Ni-Al-Cr. The topics to discuss will include: (1) challenges in the development of interatomic potentials for the Ni-Al and Ni-Al-X systems; (2) thermodynamics of phases and calculation of phase diagrams for γ-γ' systems; (3) point defects in the γ' phase; (4) modeling of the atomic structure of coherent and incoherent γ-γ' phase boundaries; (5) calculation of the γ-γ' interface thickness and interface free energy: the capillary fluctuation method, effect of alloying, temperature and applied mechanical stresses; (6) local disordering (wetting transitions) at anti-phase boundaries in the γ' phase. Recent achievements, limitations and future directions in atomistic modeling of superalloys will be discussed.

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