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Molecular Dynamics Simulation of Mechanical Behavior of Metalic Nanostructures

Rabiefar, Hossein | 2010

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 41147 (07)
  4. University: Sharif University of Technology
  5. Department: Materials Science and Engineering
  6. Advisor(s): Simchi, Abdolreza; Kazeminezhad, Mohsen
  7. Abstract:
  8. In this work, mechanical behavior of Ni nanowires with various dimensions under tensile loading at different temperatures and strain rates was simulated by molecular dynamics. Lennard-Jones and Sutton-Chen potential functions were utilized. The relationship between the tensile properties of Ni nanowires and temperature, strain rate, aspect ratio and crystal orientation was studied. It was shown that with increasing the aspect ratio of the nanowires the strength of the material decreases. A change in the fracture mode of the nanowire from slippage at low strain rates (<10 m/s) to amorphous deformation at high loading rates was observed. The crystal orientation was found to influence the strength and deformation mechanism. The results were discussed according to the interatomic distance and the Schmid factor. It was deduced that by increasing the distance between atomic planes, elastic modulus is decreased while the required elastic work is increased, meaning the fact that starting of plastic deformation becomes more difficult. Increasing of the Schmid factor the angle between the loading direction and slippage plane decreases that leads to a decrease in the yield stress
  9. Keywords:
  10. Molecular Dynamic Simulation ; Nanowire ; Mechanical Behavior ; Fracture Mechanism ; Nickel ; Tensile Test

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