A Temperature Dependant Multiscale Modeling of Crack Growth in Nano Materials

Imani, Arman | 2015

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 47221 (19)
  4. University: Sharif University of Technology
  5. Department: Civil Engineering
  6. Advisor(s): Khoei, Amir Reza
  7. Abstract:
  8. The fact that materials and crack behave differently under different temperatures, brings a need for further investigation in this field. Recent studies regarding this behavior are mainly based on molecular dynamic method. While this method garuntee a highpercicion, the computational costs of this method can be high when dealing with crack propagation problem. Taking advantage of multiscale methods allows us to overcome this challenge by reducing the calculation time while providing acceptable results. In this research a multi-scale method capable of considering thermal effects has been developed. A concurrent model is created by using theory of elasticity for continuum part and taking advantage of the precission of molecular dynamic for the atomic part. In order to take the thermal effect into account, a hierarchical multiscale method based on Cauchy-Born rules is used in the coarse part of the model. We expect by using the proposed multiscale model for solving temperature based problems, the computional cost significantly decrease which will allow for larger simulations. Moreover, using non-equilibrium molecular dynamic method not only provide more accurate modeling of temperature in atomic scale, but also allow for generating a tempereature gradient field in the model
  9. Keywords:
  10. Multiscale Modeling ; Crack ; Temperature Effect ; Nanomaterials ; Non-Equilibrium Molecular Dynamics

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