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Molecular dynamics simulation on elastoplastic properties of the void expansion in nanocrystalline copper

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Abstract

Influences of different factors on the elastic-plastic properties of nanocrystalline copper containing a void are studied by the molecular dynamics method. The radius of the circular plate is 30a, while the radius of the void is 5a (a is 0.3615 nm for the lattice constant of bulk copper). The effects of crystal orientation, the void ellipticity, loading rate, and temperature of nanocrystalline copper are discussed. The elastic-plastic deformation of nanocrystalline under inner pressure is investigated in this research. The plastic zone is determined according to the dislocation nucleation from the edge of the void. The simulation results show that there are different deformation mechanisms under different crystal orientations, and the nanocrystalline copper can be strengthened by changing the void shape, decreasing the loading rate, and lowering the temperature. And the plastic zone initiation and growth are further explained. The change of different conditions has a great influence on plastic zone.

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Funding

This work is supported by the National Key Research and Development Program of China (Grant No. 2017YFC1500801), the Scientific Research Fund of Institute of Engineering Mechanics, China Earthquake Administration (Grant No. 2017QJGJ06), the Fundamental Research Funds for the Central Universities (Grant No. HEUCFP201805), and the program for Innovative Research Team in China Earthquake Administration.

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Correspondence to Zailin Yang or Jianwei Zhao.

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Yang, Y., Li, Y., Zhang, G. et al. Molecular dynamics simulation on elastoplastic properties of the void expansion in nanocrystalline copper. J Nanopart Res 20, 205 (2018). https://doi.org/10.1007/s11051-018-4305-4

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  • DOI: https://doi.org/10.1007/s11051-018-4305-4

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