个人简历

教育背景 2002/09－2011/06，湖南大学，材料科学与工程学院，博士 1999/09－2002/06，湖南大学，材料科学与工程学院，硕士 1991/09－1995/06，湖南大学，应用物理系，学士 工作履历 2003年4月-，湖南大学，物理与微电子科学学院，讲师 1995年8月-1999年8月,中国化学工程第四建设公司，工程师

研究领域

（1）高温高压等极端条件下材料力学性质的分子动力学研究，（2）合金结构与性能的模拟设计。

近期论文

[1] Xiaofan Li*, Wangyu Hu, Shifang Xiao, Wei-Qing Huang, Stress-induced structure transformation a nd strain rate effect in polycrystalline Mo nanowires, Physica E, 2011, 43(5):1131-1139 [2] Xiaofan Li, Wangyu Hu, Shifang Xiao, Wei-Qing Huang. Molecular dynamics simulation of polycrystalline molybdenum nanowires under uniaxial tensile strain: Size Effects. Physica E 40, 2008: 3030-3036 [3] Hui Wan, Liang Xu, Wei-Qing Huang*, Jia-Hui Zhou, Chao-Ni He, Xiaofan Li*, Gui-Fang Huang*, P. Peng, Zheng-Gui Zhou, Band structure engineering of monolayer MoS2: a charge compensated codoping strategy, RSC Adv., , 2015, 5(11):7944–7952（通讯作者） [4] Caiyun Luo, Weiqing Huang*, Liang Xu, Yincai Yang, Xiaofan Li*, Wangyu Hu, P. Peng, Gui-Fang Huang*, Enhanced photocatalytic performance of an Ag3PO4 photocatalyst via fullerene modification: first-principles study, Phys. Chem. Chem. Phys., 1 2016, 18(4): 2878-2886 （通讯作者） [5] Cai-Yun Luo, Wei-Qing Huang, Liang Xu, Yin-Cai Yang, Xiaofan Li*,Wangyu Hu, P. Peng, Gui-Fang Huang. Electronic properties a nd photoactivity of monolayer MoS2/fullerene van der Waals heterostructures. RSC Adv., 6, 2016, 43228–43236 （通讯作者） [6] Xingming Zhang, Huiqiu Deng, Shifang Xiao, Xiaofan Li*, Wangyu Hu, Atomistic simulations of solid solution strengthening in Ni-based superalloy, Computational Material Science, 2013，68:132–137 [7] Xianglai Gan, Shifang Xiao, Huiqiu Deng, Bo Wang, Xuegui Sun, Xiaofan Li*, Wangyu Hu, Thermodynamic properties of Li, Pb and Li17Pb83with molecular dynamics simulations, Fusion Engineering a nd Design, 2014，89(12): 2946–2952 [8] Qiulei Su, Huiqiu Deng, Bingyun Ao, Shifang Xiao, Xiaofan Li*, Piheng Chen, Wangyu Hu, First-principles study on the interaction of nitrogen atom with a–uranium: From surface adsorption to bulk diffusion, J. App. Phy., 2014, 115(16): 164902 [9] Bo Wang, Shifang Xiao, Xianglai Gan, Huiqiu Deng, Xiaofan Li*, Xuegui Sun, Wangyu Hu, Diffusion properties of liquid lithium–lead alloys from atomistic simulation, Comp. Mater. Sci., 2014, 93:74-80 [10] Xianglai Gan, Shifang Xiao, Huiqiu Deng, Xuegui Sun, Xiaofan Li*, Wangyu Hu, Atomistic simulations of the Fe(001)–Li solid–liquid interface, Fusion Engineering a nd Design, 2014, 89(12): 2894–2901 [11] Xiaodan Yang, Huiqiu Deng, Nengwen Hu, Shifang Xiao, Cuilan Ren, Ping Huai, Chengbin Wang, Xiaofan Li*, Wangyu Hu, Molecular Dynamics Simulation of the Displacement Cascades in Tungsten with Interstitial Helium Atoms, Fusion Science a nd Technology, 2014, 66(1): 112-117 [12] Shifang Xiao, Xiaofan Li*, Huiqiu Deng, Lei Deng, Wangyu Hu, Amorphization a nd thermal stability of aluminum-based nanoparticles prepared from the rapid cooling of nanodroplets: effect of iron addition, Phys. Chem. Chem. Phys., 2015, 17(9):6511-6522 [13] Xianglai Gan, Huiqiu Deng, Shifang Xiao, Xiaofan Li*, Wangyu Hu, The alloying processes in solid-solid a nd liquid-solid Li-Pb interfaces with atomistic simulations, Journal of Alloys a nd Compounds, 2015, 632: 467–472