Journal article

Atomistic simulation of tensile strength and toughness of cracked Cu nanowires

Virtual tensile experiments on cylindrical copper wires of nanometric diameter were carried out using molecular dynamics techniques based on the embedded-atom method. Transverse, atomically sharp surface cracks with circular fronts of different depths are introduced to evaluate their effect on the mechanical strength of the nanowires. The axisymmetric z-axis of the specimen is on the 001 direction of the nanowires. The analysis shows that, at 0 K, the cracked Cu nanowires behave in a ductile manner, their strength being determined by dislocation or twinning nucleation from the crack tip. Their calculated fracture toughness ranges from 0.6 to 3 MPa√m.


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