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Atomistic based continuum investigation of plastic deformation in nanocrystalline copper |
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| Affiliation: | 1. Department of Engineering Mechanics, Key Laboratory of Soft Machines and Smart Devices of Zhejiang Province, Zhejiang University, Hangzhou, Zhejiang 310027, China;2. International Center for Applied Mechanics, State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi''an Jiaotong University, Xi''an 710049, China;3. Department of Mechanical Engineering, The University of Hong Kong, Hong Kong, China;4. HKU-Shenzhen Institute of Research and Innovation (HKU-SIRI), Shenzhen, Guangdong, China;5. School of Engineering, Brown University, Providence, Rhode Island 02912, USA |
| Abstract: | A continuum model of nanocrystalline copper was developed based on results from independent atomistic calculations on 11 bicrystals containing high angle grain boundaries. The relationship between grain boundary structure and its mechanical response was investigated. Based on the atomistic calculations; a constitutive law for grain boundary interfaces was implemented within a finite element calculation that consisted of a microstructure loaded in compression. The yield strength as a function of grain size was compared to experimental data and molecular dynamics results. Calculations were performed to demonstrate the relationship between intragranular plasticity and grain boundary sliding. |
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