Sliding Mechanism in Copper Grain Boudaries Effect of vacancy Peter Ballo Department of Physics Faculty of Electrical Engineering and Information Technology.

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Presentation transcript:

Sliding Mechanism in Copper Grain Boudaries Effect of vacancy Peter Ballo Department of Physics Faculty of Electrical Engineering and Information Technology Slovak University of Technology, Ilkovičova 3, Bratislava Slovak Republic

GB

Relaxed geometry of the 160-atom supercell for the  5 tilt grain boundary in copper

Evolution of the atomic structure of the pure grain boundary during the sliding process using SA simulation.

The variation of the relative grain boundary energy during sliding as a function of the sliding distance

Vacancy formation energy as a function of the layer number from the interface.

Relaxed geometry of the 160-atom supercell for the  5 tilt grain boundary in copper

Charge density distribution for GB in aluminum (a) and copper (b) computed by LDA approximation – right panel The left panel shows the grain boundary atomic structure.

That’s all folks