代表性文章或专著
地球深部结构与形成：
1、J. Liu#, Y. Sun#, C. Lv, F. Zhang, S. Fu, V. B. Prakapenka, C.-Z. Wang, K.-M. Ho, J.-F. Lin, R. M. Wentzcovitch, "Iron-rich Fe–O compounds at Earth’s core pressures", The Innovation 4, 100354 (2023)
2、Y. Sun*, F. Zhang, Mikhail I. Mendelev*, R.M. Wentzcovitch, K.-M. Ho, "Two-step nucleation of the Earth's inner core", Proc. Natl. Acad. Sci. U.S.A., 119, e2113059119 (2022)
3、Y. Fang, Y. Sun*, R. Wang, F. Zheng, S.Q. Wu*, C.-Z. Wang, R.M. Wentzcovitch*, K.-M. Ho, "Unconventional iron-magnesium compounds at terapascal pressures", Phys. Rev. B 104, 144109 (2021)
液体与玻璃模拟
Y. Sun, S.-X. Peng, Q. Yang, F. Zhang, M.-H. Yang, C.Z. Wang, K.M. Ho, H.-B. Yu*, "Predicting Complex Relaxation Processes in Metallic Glass", Phys. Rev. Lett. 123, 105701 (2019)
Y. Sun*, H. Song, F. Zhang*, L. Yang, Z. Ye, M.I. Mendelev, C.Z. Wang, K.M. Ho, "Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach", Phys. Rev. Lett. 120, 085703 (2018)
Z.-Y. Zhou, Q. Chen, Y. Sun*, and H.-B. Yu*, "Unveiling correlation between alpha2 relaxation and yielding behavior in metallic glass", Phys. Rev. B 103, 094117 (2021)
Y. Sun*, F. Zhang, L. Yang, Z. Ye, H. Song, M.I. Mendelev, C.Z. Wang, K.M. Ho*, "Effect of Samarium doping on the nucleation of fcc-Aluminum in undercooled liquids", Scripta Mater. 154, 202 (2018)
Y. Sun, F. Zhang*, Z. Ye, Y. Zhang, X. Fang, Z. Ding, C.Z. Wang, M.I. Mendelev, R.T. Ott, M.J. Kramer and K.M. Ho*, "'Crystal Genes' in Metallic Liquids and Glasses", Sci. Rep. 6, 23734 (2016)
晶体结构预测
F. Zheng, Y. Sun*, R. Wang, Y Fang, F. Zhang, S.Q. Wu*, C.Z. Wang, V. Antropov, K.-M. Ho， "Superconductivity in Li-B-C system at 100 GPa", Phys. Rev. B 107, 014508 (2023)
Y. Sun*, F. Zhang, C.-Z. Wang, K.-M. Ho, I. I. Mazin, and V. Antropov, "Electron-phonon coupling strength from ab initio frozen-phonon approach", Phys. Rev. Materials 6, 074801 (2022)
S. Ren, Y. Sun*, F. Zhang*, A. Travesset, C.-Z. Wang and K.-M. Ho, "Phase Diagram and Structure Map of Binary Nanoparticle Superlattices from a Lennard-Jones Model", ACS Nano, 14, 6795 (2020)
Y. Sun, Y.-X. Yao, M. C. Nguyen, C.-Z. Wang, K.-M. Ho and V. Antropov*, "Spatial decomposition of magnetic anisotropy in magnets: application for doped Fe16N2", Phys. Rev. B 102, 134429 (2020)
Y. Sun, M. Cococcioni and R.M. Wentzcovitch*, "LDA+Usc calculations of phase relations in FeO", Phys. Rev. Materials 4, 063605 (2020)
R. Wang, Y. Sun*, V. Antropov*, Z. Lin, C.Z. Wang, K.M. Ho, "Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system", Appl. Phys. Lett. 115, 182601 (2019)
(#：共同一作;*：通讯作者)
