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•Yi Sun, Chen Wang and Yunjun Chen, Molecular dynamics simulations of the deformation behavior of gadolinia-doped ceria solid electrolytes under tensile loading, Journal of Power Sources, 233, 2013, 131-138
• Z.W. Cui, Y. Sun, J. Qu, Molecular dynamics simulation of reduced CeO2, Solid State Ionics, v. 226, 2012, 24-29
• Y. Sun, Y.J. Chen, Y. Liu and G. Kang, Molecular dynamics simulation of crack tip processes in ceria and gadolinia doped ceria, Computational Materials Science, v.51, 2012, 181–193
• Zeng, F. L., Y. Sun, et al.. "Multiscale simulations of wedged nanoindentation on nickel." Computational Materials Science 62: 2012, 47-54.
• Zeng, F. L., Y. Z. Liu, Sun Y., et al.. "Nanoindentation, nanoscratch, and nanotensile testing of poly(vinylidene fluoride)-polyhedral oligomeric silsesquioxane nanocomposites." Journal of Polymer Science Part B-Polymer Physics 50(23): 2012, 1597-1611
• Zhang, G. H., Y. Sun, et al.. "Dynamic characteristics of self-acting gas bearing-flexible rotor coupling system based on the forecasting orbit method." Nonlinear Dynamics 69(1-2): 2012, 341-355
• X. Y. Song, Y. Sun, X.R. Wu and F.L. Zeng., Molecular dynamics simulation of a novel kind of polymer composite incorporated with polyhedral oligomeric silsesquioxane (POSS), Computational Materials Science, v.50, 2011, 3282–3289
• J. Li , Y. Sun , Z.W. Cui and F.L. Zeng., Least square method for the calculation of elastic constants, Computer Physics Communications, v. 182, 2011, 1447–1451
• Q. Li, Y. Sun, Z. Li and Y. Zhou, Lonsdaleite – A material stronger and stiffer than diamond, Scripta Materialia, v. 65, 2011, 229–232
• F.L. Zeng, Y. Sun, Y. Zhou and Q. Li, A Molecular dynamics simulations study to investigate the elastic properties of PVDF and POSS nanocomposites, Modelling and Simulation in Materials Science and Engineering , v. 19, 2011, 025005
• E.L. Hu, Y. Sun, F.L. Zeng, Nanoindentation simulation of pe/poss under different shapes of indenters, Acta Mechanica Solida Sinica, v.24, 2011, 365-372
• Cui Zhiwei, Sun Yi, Qu, Jianmin, semi-ab initio interionic potential for gadolinia-doped ceria, Solid State Ionics, v. 187, 2011, 8-18
• X.R. Wu, Y. Sun, X.Y. Song, Development of novel dental nanocomposites reinforced with polyhedral oligomeric silsesquioxane (POSS), Dental Materials, v. 26, 2010, 456–462
• Y. Huang, Y Sun, J. Shen, Tuning the mechanical performance of a Ti-based bulk metallic glass by pre-deformation, Intermetallics, v. 18, 2010, 2044-2050
• F.L. Zeng, Y. Sun and Y. Zhou., Molecular simulations of the miscibility in binary mixtures of PVDF and POSS compounds, Modelling and Simulation in Materials Science and Engineering , v. 17, 2009, 075002
• Z.W. Cui, Y. Sun and J. Qu, The neighbor list algorithm for a parallelepiped box in molecular dynamics simulations, Chinese Science Bulletin, v.54, 2009, 1463-1469
• Zhiwei Cui, Yi Sun, Jun Li, Jianmin Qu, Combination method for the calculation of elastic constants, Physical Review B 75, 214101, 2007