Dresden 2020 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 49: Structural Materials (Steels, light-weight materials, high-temperature materials) - I

MM 49.3: Talk

Thursday, March 19, 2020, 10:45–11:00, BAR 205

Effect of Re and Os on the 1/2<111> dislocations in W — •Aparna P. A. Subramanyam, Thomas Hammerschmidt, and Ralf Drautz — ICAMS, Ruhr Universität-Bochum, Bochum, Germany

W is the prime candidate for plasma facing first wall material in fusion reactors. The neutron bombardment causes nuclear transmutation of W atoms to Re and Os atoms which affect the mechanical properties of the material. In order to understand these effects, we perform large-scale atomistic simulations with a recently developed analytic bond-order potential (BOP) for the ternary W-Re-Os system. This tight-binding based BOP provides a robust description of the underlying electronic structure and is validated against available experimental and ab-initio data. Here, we discuss the effects of Re and Os on the energetics and local atomic structure of the 1/2 <111> edge and screw dislocations in W. We also analyze the motion of these dislocations in pure W as well as in W-Re and W-Os alloys in terms of Peierls stresses and discuss the influence of these elements on the kink pair formation energy in W.