Application of Dynamics Multi-scale Modeling of Dislocation in Nano-Crystalline Materials <br/>

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Application of Dynamics Multi-scale Modeling of Dislocation in Nano-Crystalline Materials

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Type of Document: M.Sc. Thesis
Language: Farsi
Document No: 46298 (09)
University: Sharif University of Technology
Department: Civil Engineering
Advisor(s): Khoei, Amir Reza
Abstract:
Dislocations are one of the most important classes of defects in crystals. They have significant effects on the physical properties of crystals. They could be primarily created during the formation of a crystal or during the loading on specimen. Dislocation’s movement due to stress is the main cause of crystal plasticity. Since dislocation is a change in perfect crystal structure it is possible to identify it in the molecular level. However, the high computational cost of the MD level, has led researchers to using the multi-scale methods. Researchers have used many various multi-scale methods to study dislocations. The method used in this paper is based on energy. Total energy of system for shear test and biaxial loading in DD level is calculated separately. Then the energy of the system is transformed to elastic tensor by derivation of strain. This tensor represents the material behavior in the continuum media. Finally the results were extracted from a two-dimensional representative volume element of Cu with a 1μmx1μm FCC crystal
Keywords:
Multi-Scale Analysis ; Representative Volume Element ; Face Centered Cubic (FCC)Alloy ; Crystalline Structure ; Nanocrystal ; Dislocation

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