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Abstract

In this lecture, we will have a look at the mechanical properties of metals and alloys, such as stiffness, strength, and fracture toughness, as selection criteria for materials design. After looking at some macroscopic manifestations of these properties, we will have a look at the microscopic processes behind these terms - lattice distortions, dislocation motion and crack propagation - and then focus on the atomistic (and partially electronic) origins of these processes. Finally, different methods to simulate mechanical deformation on the atomic scale and to extract mechanical properties of micro- and macro-structures will be introduced.