计算机在材料科学与工程学院 教授 - 材料科学与工程学院

代表性学术论文如下：(*标示为通讯作者)

合金设计与制备

(1) Bo Wu∗, Zheyu Xie, Jinchang Huang, Jinwei Lin, Yixu Yang, Linqiao Jiang, Jianglin Huang, Guoxin Ye, Chunfeng Zhao, Shangjin Yang, Baisheng Sa, Microstructures and thermodynamic properties of high-entropy alloys CoCrCuFeNi, Intermetallics 93 () 40–46.

(2)Zenyi Wei, Yixu Yang, Jinchang Huang, Bo Wu, Baisheng Sa, Yeyan Huang, Shuliang Wang, Maohua Lin, C-T. Tsai, Kewu Bai, Prediction of site occupancy of C15 Laves phase at finite temperature based on quasi-harmonic approximation model, Intermetallics, , 96: 33-40.

(3) Kangming Hu, Jinchang Huang, Zhenyi Wei, Qiong Peng, Zheyu Xie, Baisheng Sa, and Bo Wu*，Elastic and thermodynamic properties of the Ti2AlNb orthorhombic phase from first-principles calculations, Phys. Status Solidi B, , 254(6): 1600634

(4) Zhenyi Wei, Shushi Tou, Bo Wu*, Kewu Bai, First principle investigation of crystal lattice structure, thermodynamics and mechanical properties in ZnZrAl2 intermetallic compound, Solid State Communications 247()82–87. ISSN:0038-1098

(5) Zeyou Zhou, Bo Wu*, Shushi Dou, Chunfeng Zhao, Yuanpeng Xiong, Yufeng Wu, Shangjin Yang, Zhenyi Wei. Thermodynamic properties of elements and compounds in Al-Sc binary system from ab initio calculations based on density functional theory. Metallurgical and Materials Transactions A. , 45A: 1720-1735.

(6) Yufeng Wu, Bo Wu*, Zhenyi Wei ,Zeyou Zhou, Chunfeng Zhao, Yuanpeng Xiong, Shushi Tou, Shangjin Yang, Baiyang Zhou, Yanqun Shao. Structural, half-metallic and elastic properties of the half-Heusler compounds NiMnM (M = Sb, As and Si) and IrMnAs from first-principles calculations. Intermetallics. , 53: 26-33.

(7) *Bo Wu, Hailong Liu, Chaoran Huang, Min Wang, Li Su, Chunfeng Zhao, Zeyou Zhou, Yuanpeng Xiong, Yanqun Shao, Baiyang Zhou. Prediction of the site ordering behaviours of elements in C15 NbCr2-based intermetallics by combining thermodynamic model with ab-initio calculation. Intermetallics. , 35: 104-109.

功能材料设计与制备

(1) Sahar Ramin Gul, Matiullah Khan* ,Yi Zeng*, Bo Wu*,Understanding the thermodynamic properties of 20%CeO2 stabilized ZrO2 coatings with atomistic modeling and simulations, Materials Research Express, 6 ( ) 076532

(2) Sahar Ramin Gul, Matiullah Khan*, Yi Zeng*, Bo Wu*,Theoretical investigations of electronic and thermodynamic properties of Ce doped La2Zr2O7 pyrochlore, Materials Research Express, 6 () 085210.

(3) Sahar Ramin Gul, Matiullah Khan*, Yi Zeng* and BoWu*, Understanding the improved stability and reduced thermal conductivity of yttria stabilized zirconia: A combined experimental and atomistic modeling study, Computational Materials Science, 153 () 208-216.

(4) Qiong Peng, Kangming Hu,, Baisheng Sa, Jian Zhou, Bo Wu, Xianhua Hou, Zhimei Sun, Unexpected elastic isotropy in a black phosphorene/TiC2 van der Waals heterostructure with flexible Li-ion battery anode applications, Nano Research, , 10(9): 3136-3150.

(5) Qiong Peng, Rui Xiong, Baisheng Sa*, Jian Zhou, Cuilian Wen, Bo Wu*, Masakazu Anpo, Zhimei Sun*, Computational mining of photocatalysts for water splitting hydrogen production: two dimensional InSe-family monolayers, Catal. Sci. Technol., , 7, 2744.

(6) Qiong Peng, Zhenyu Wang, Baisheng Sa*, Bo Wu*, Zhimei Sun, Blue Phosphorene/MS2 (M = Nb, Ta) Heterostructures As Promising Flexible Anodes for Lithium-Ion Batteries, ACS Appl. Mater. Interfaces , 8, 13449-13457.

(7) Qiong Peng, Zhenyu Wang, Baisheng Sa*, Bo Wu*, Zhimei Sun*, Electronic structures and enhanced optical properties of blue phosphorene/transition metal dichalcogenides van der Waals heterostructures,Scientific Reports, , 6:31994

(8) *Tao Yu,Bo Wu*.A theoretical perdiction on CN6O: structure, stability and performance. Inorganic Chemistry Frontiers, , (2): 991-1000.

(9)Guangqing Pei, Changtai Xia*, Bo Wu, Tao Wang, Lili Zhang, Jun Xu, Studies of magnetic interactions in Ni-doped ZnO from first-principles calculations,Computational Materials Science, ,43:489-494.

(10)Bo Wu*, Matvei Zinkevich, Fritz Aldinger, Wenqing Zhang,Ab initiostructural and energetic study of LaMO3(M = Al, Ga) perovskites.Journal of Physics and Chemistry of Solids, , 68: 570–575.

(11) Bo Wu*, Matvei Zinkevich, Fritz Aldinger,Dingzhong Wen, Lu Chen,Ab initiostudy on structure and phase transition of A-type and B-type rare earth sesquioxides Ln2O3(Ln = La−Lu, Y, and Sc) based on density function theory,Journal of Solid State Chemistry, , 180: 3280-3287.

多尺度集成模拟及其深度开发(1) Bo Wu*, Anglika Brückner-Foit, Qiang Li, Lu Chen, Jinbiao Fu,Chaohui Zhang. A reliability assessment method for structural metallic component with inherent flaws based on finite element analysis and probabilistic fracture mechanics model,International Journal of Fatigue,,31,1882-1888.

授权发明专利

(1)工业延期雷管延期体用锌铝基合金挤压管及其制备方法，专利号：ZL 1 0293925.4

(2)一种高纯度、高成分均匀性的镍铬合金靶材制备方法，专利号：ZL 1 0236313.8

(3)一种环保型锌铝阻尼合金及其制备方法，专利号：ZL11136548.4 (4)一种锌铝合金管成分设计及其制备方法，专利号：ZL10461161.X (5)一种蓝磷／过渡金属二硫化物异质结阳极材料及制备方法，专利号：ZL10895587.6