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Concurrent Multi-Scale Approach for Modeling Mechanical Behavior of Crystalline Nano-Structures

Aramoon, Amin | 2011

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 42868 (09)
  4. University: Sharif University of Technology
  5. Department: Civil Engineering
  6. Advisor(s): Khoei, Amir Reza
  7. Abstract:
  8. Mindboggling advances in nanotechnology have urged researchers to develop state-of-the-art numerical methods to enable them to simulate and to interpret phenomena at this scale. Unfortunately, Classical models have numerous shortcomings which hinder their applications in new contexts. For instance, classical Continuum Mechanics fails to appropriately depict material behavior at small scales, and, on the other hand, Molecular Dynamics simulations are computationally prohibitive. As a consequence, researchers have devised multi-scale methods during the past decade to overcome these obstacles. In fact, in multi-scale methods information is passed from one mathematical description to the other. Continuum mechanics model exploited in these models are generally based on Cauchy-Born hypothesis. In this dissertation, Concurrent Multi-Scale approach is developed, in advance. This is done by directly getting stiffness and mass matrices from atomic zone, in order to make an appropriate correlation between continuum and molecular zones. In addition, the definition of proper transient zone for model between molecular and continuum domains approach and give the model the ability of providing smooth surface of energy and stress level.
  9. Keywords:
  10. Surface Effect ; Multiscale Modeling ; Molecular Dynamics ; Computational Nanomechanics ; Cauchy-Born Rule ; Concurrent Multi-scale Model

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