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Monte Carlo simulation of polycrystalline microstructures and finite element stress analysis
Affiliation:1. Science and Technology on Thermostructural Composite Materials Laboratory, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an, Shaanxi 710072, People’s Republic of China;2. School of Mechanics and Engineering, Southwest Jiaotong University, Chengdu, Sichuan 610031, People’s Republic of China;3. Laboratoire de Mécanique et d’Energétique, Université d’Evry, Evry 91020, France;1. Superalloys Division, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016, China;2. High Temperature Materials Research Group, Korea Institute of Materials Science, 797 Changwondaero, Changwon, Gyeongnam 641-831, Republic of Korea;1. Graduate School of Advanced Sciences of Matter, Hiroshima University, Higashi‐Hiroshima 739-8530, Japan;2. Cryogenic and Instrumental Analysis Division, N-BARD, Hiroshima University, Higashi‐Hiroshima 739-8526, Japan;1. School of Materials Science and Engineering, Harbin Institute of Technology, Harbin, 150001, China;2. School of Materials Science and Engineering, Harbin Institute of Technology at Weihai, Weihai, 264209, China;3. Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai, 264209, China;4. Shandong Province Key Laboratory of Powder Metallurgy in Advanced Manufacturing, Laiwu Vocational and Technical College, Laiwu, 271100, China;1. Loughborough University, Loughborough, Leicestershire LE11 3TU, United Kingdom;2. Colorado School of Mines, Golden, CO 80401, USA;3. National Renewable Energy Laboratory, Golden, CO 80401, USA
Abstract:A two-dimensional numerical model of microstructural effects is presented, with an aim to understand the mechanical performance in polycrystalline materials. The microstructural calculations are firstly carried out on a square lattice by means of a 2-D Monte Carlo (MC) simulation for grain growth, then the conventional finite element method is applied to perform stress analysis of a plane strain problem. The mean grain size and the average stress are calculated during the MC evolution. The simulation result shows that the mean grain size increases with the simulation time, which is about 3.2 at 100 Monte Carlo step (MCS), and about 13.5 at 5000 MCS. The stress distributions are heterogeneous in materials because of the existence of grains. The mechanical property of grain boundary significantly affects the average stress. As the grains grow, the average stress without grain boundary effect slightly decreases as the simulation time, while the one with strengthening effect significantly decreases, and the one with weakening effect increases. The average stress and the grain size agree well with the Hall–Petch relationship.
Keywords:Polycrystalline microstructure  Grain growth  Stress analysis  Monte Carlo simulation  Finite element method
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