Introduction 1.5

Introduction 1.5 - Examples: Large-scale simulation of...

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University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei Examples: Large-scale simulation of crack propagation Molecular dynamics simulation with ~1 billion atoms illustrates crack propagation in a ductile metal. At first, the crack moves very rapidly and local bonds break in a "brittle" manner, but at some point the crack-tip begins to emit dislocations (the tangles in the picture) and stops propagating. Such a crack is said to become blunted and begins to cause intense local deformation but not failure. by F. F. Abraham et al.
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University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei Dislocations are linear crystal defects responsible for plastic deformation (plastic deformation is due to the motion of a large number of dislocations) Work hardening - strengthening of a material by increasing dislocation density The propagation of a dislocation across the plane causes the top half of the crystal to move ( to slip
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Introduction 1.5 - Examples: Large-scale simulation of...

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