基于内聚力模型的单晶铝裂纹扩展的数值模拟-固体力学专业论文.docxVIP

II II Abstract Crystals accounted for the majority of the solid material in the nature. The study and application of single crystal material attracts more attentions with the development of nanomaterials science, compared with the polycrystalline material, its physical properties are more sensitive and also exhibit significant anisotropy，and the orientation of crystal should also be taken into account as an important factor. A large number of studies have shown that the mechanical behavior of crystalline materials can be corresponding to the microscopic changes in thermodynamics, to study the mechanical properties of crystal by molecular dynamics method has significant physical significance. Cracking is a common form of macro defects in crystal. It seriously affects the preparations and applications in practical engineering of crystal. The fracture behavior of single crystal aluminum with cracks was discussed in this paper by combining molecular dynamics and finite element method. First, using molecular dynamics simulations to study the tensile behavior of single crystal aluminum, record the curve of load-displacement, determine its elastic properties and the parameters of cohesive zone model, the analysis the field evolution of single crystal aluminum with cracks, the development of micro-cracks initiation and the macroscopic crack propagation behavior with finite element method. The results show that：(1) Single crystal aluminum is orthotropic anisotropy material which contains nine independent elastic constants, and the elastic matrix decided by molecular dynamics is approximately symmetrical. (2) Some branch cracks appear during the crack propagation process, but they will eventually tend to close with the development of the main crack and the redistribution of stress field. (3) Obvious stress concentration is found at the crack tip, the stress intensity factor and energy release rate calculated by the finite element results are correspond to the fracture toughne