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教育经历
2007 辽宁大学,物理学院,物理学专业,理学学士
2014 北京科技大学,数理学院,凝聚态物理专业,理学博士 -
工作经历
2014.05-2018.06 国家材料服役安全科学中心,助理研究员
2018.07-今 国家材料服役安全科学中心,副研究员 -
主要研究方向
主要进行经典力场的构建与应用,以及金属材料表面/界面物理和化学性能的模拟研究。注重模拟材料的微观静力学/动力学过程,解析体系中的微观机理与宏观现象之间的关联。涉及第一性原理、分子动力学、相场模拟、有限元模拟等多尺度计算方法,具体包括:
1. 凝聚态物理中的材料模拟与设计
2. 材料表面/界面中的物理机理
3. 经典力场的构建与应用
4. 氢脆应力腐蚀与合金氢致损伤机理
5. 多元(高熵)合金微观组织性能计算 -
代表性论文
1. Jin Wang, Ni Lu, Chuan-Hui Zhang*, Study of high temperature mechanical properties and irradiation behavior of Zr3Al alloy by Chen’s lattice inversion EAM. Materials Today Communications 38, 107664 (2024)
2. Ni Lu, Bingkang Li, Junkai Wang, Chuan-Hui Zhang*, Enhancing Strength and Ductility of CrCoNi Medium-Entropy Alloy through the 9R Phase and Doping. Materials Chemistry and Physics 312, 128667 (2024)
3. Zixin Zhang, Chuan-Hui Zhang*, Bao Chen#, Theoretical study on the effect of element segregation on the dissolution and diffusion of hydrogen at the Ni/Ni3Al interface. International Journal of Hydrogen Energy 50, 342-351 (2024)
4. Jin Wang, Lianhong Ding, Mengmeng Duan, Chuan-Hui Zhang*, Element Doping Improving Mechanical Properties of βʹ Phase in Al-Mg-Si Alloy. MRS Communications 13, 1187-1195 (2023)
5. Tingting Yang, Jin Wang, Chuan-Hui Zhang*, Microscopic mechanism of the effect of Nb and Cr co-doping on the strength and ductility of Ti2AlC/Ti3Al coherent interface. Surfaces and Interfaces 41, 103233 (2023)
6. Junkai Wang, Bingkang Li, Chuan-Hui Zhang*, First principles study on the influence of multi-element doping on the mechanical properties of θ/Al interface in Al-Cu alloy. Materials Today Communications 34, 105114 (2023)
7. Bingkang Li, Junkai Wang, Chuan-Hui Zhang*, Bonding Strength and Fracture Properties of Al(021)/Al2CuMg (001) Interface and Ag-Doped Modification: A First-Principles Study. Advanced Engineering Materials 25, 2201125 (2023)
8. Ni Lu, Jin Wang, Chuan-Hui Zhang*, First‑principles study of the structural and mechanical properties of substitution‑doped Mg5Si6. Journal of Materials Research 37, 2996-3008 (2022)
9. Bingkang Li, Junkai Wang, Chuan-Hui Zhang*, First-principles study on the effects of V, Nb, Cd, Ag, Ge and Sb doped in Al2CuMg phase of Al-Zn-Mg-Cu alloy, Modern Physics Letters B, 35 (2021) 2150478
10. Bao Chen, Chuan-Hui Zhang*, Ying Jin, First-principles study on surface fracture of Al-Zn-Mg-Cu alloy under stress load and H environment, Surfaces and Interfaces, 26 (2021) 101366
11. Junkai Wang, Bingkang Li, Chuan-Hui Zhang*, First‑principles study of the effect of V, Co, Ca, Sr, Ga, As doping on the mechanical properties of Al2Cu, Applied Physics A, 127 (2021) 637
12. Bao Chen, Chuan-Hui Zhang*, Ying Jin, The roles of Cl- and OH- in the dissociation of H2O molecules on an Al surface: A first-principles calculation, Journal of Physics and Chemistry of Solids, 159 (2021) 110281
13. Bao Chen, Chuan-Hui Zhang*, Ying Jin, Tensile strain induced surface reactions for co-adsorption of H2O and OH- on vacancy Al (111) surface, Vacuum, 192 (2021) 110459.1
14. Bao Chen, Chuan-Hui Zhang*, Ying Jin, First-principles calculation of interface binding strength and fracture performance of b’/Al interface in Al-Mg-Si-Cu alloy, Journal of Alloys and Compounds 830 (2020) 154515
15. Bao Chen, Chuan-Hui Zhang*, Dong-bai Sun, Ying Jin, First-principles calculations of initial Cr deposition on the Fe surface, Computational Materials Science,167, 183-190 (2019)
16. Chuan-Hui Zhang, Bao Chen, Ying Jin, Dong-bai Sun, A DFT study on the failure mechanism of Al2O3 film by various point defects in solution, Chemical Physics, 504, 48-56 (2018)
17. Chuan-Hui Zhang, Bao Chen, Ying Jin, Density functional theory study of the OH, Cl and H2O coadsorption on the step-defect Al2O3 film surface, Journal of Theoretical and Computational Chemistry, 17, 1850002 (2018)
18. Chuan-Hui Zhang, Bao Chen, Dong-bai Sun, A DFT study of H2O dissociation on metal-precovered Fe (100) Surface, Surface and Interface Analysis, 50, 420-429 (2018)
19. Chuan-Hui Zhang, Bao Chen, Ying Jin, Dong-bai Sun, First-principles modeling of layer-defect of Al2O3 surface eroded by H2O and Cl-, Journal of Physics and Chemistry of Solids, 110, 129-135 (2017)
20. Chuan-Hui Zhang, Ying Wang, Dong-bai Sun, The molecular dynamics simulation on the mechanical properties of Ni glass with external pressure, International Journal of Modern Physics B, 31, 1750138 (2017)
21. Chuan-Hui Zhang, Min Liu, Ying Jin, Dong-bai Sun, The corrosive influence of chloride ions preference adsorption on α-Al2O3(0001) surface, Applied Surface Science, 347, 386-391 (2015)
22. Min Liu, Ying Jin, Chuan-Hui Zhang, Christofer Leygraf, Lei Wen, Density-functional theory investigation of Al pitting corrosion in electrolyte containing chloride ions, Applied Surface Science, 357, 2028-2038 (2015)
23. Santao Qi, Chuan-Hui Zhang*, Bao Chen, Jiang Shen, Nanxian Chen, First-principles study on the ferromagnetic half-metallic Mn2FeAs alloy, Journal of Solid State Chemistry, 225, 8-12 (2015)
24. Santao Qi, Jiang Shen, Chuan-Hui Zhang*, First-principles study on the structural, electronic and magnetic properties of the Ti2VZ (Z = Si, Ge, Sn) full-Heusler compounds, Materials Chemistry and Physics, 164, 177-182 (2015)
25. Chuan-Hui Zhang, Shuo Huang, Jiang Shen, Nan-Xian Chen, Structural and mechanical properties of Fe-Al compounds: An atomistic study by EAM simulation, Intermetallics, 52, 86-91 (2014)
26. Shuo Huang, Chuan-Hui Zhang, Rui-Zi Jiang, Jiang Shen, Nan-Xian Chen, Site preference and alloying effect on elastic properties of ternary B2 RuAl-based alloys, Intermetallics, 51, 24-29 (2014)
27. Chuan-Hui Zhang, Shuo Huang, Rui-Zi Jiang, Jiang Shen, Nan-Xian Chen, Effects on Mechanical Properties of Refractory Metal Doped Ti3Al Alloy, International Journal of Modern Physics B, 27, 1350147 (2013)
28. Chuan-Hui Zhang, Shuo Huang, Jiang Shen, Nan-Xian Chen, Atomistic modeling of Co-Al compounds, Journal of Materials Research, 28, 2720-2727 (2013)
29. Qiong Ran, Chuan-Hui Zhang*, Jiang Shen, Silicene-like beryllium encapsulated nanowires, Chemical Physics, 397, 42-47(2012)
30. Chuan-Hui Zhang, Shuo Huang, Jiang Shen, Nan-Xian Chen, Chen's lattice inversion embedded-atom method for Ni-Al alloy, Chinese Physics B, 21, 113401 (2012)
31. Chuan-Hui Zhang, Qiong Ran, Jiang Shen, Structural stability of silicene-like nanotubes, Computer Physics Communications, 183, 30-33 (2012)
32. Chuan-Hui Zhang, Jiang Shen, A novel endohedral silicon nanotube, Chemical Physics Letters, 478, 61 (2009)
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主要科研项目
1. 新能源电池镀镍添加剂解析及工艺研究, 企业横向 (编号:2023-0243), 2023.03-2025.03, 3万元, 参与人
2. 多场耦合作用下涂层损伤与失效的动力学机制, 国家重点研发计划重点专项, (编号:2022YFA1603803), 2022.12-2027.11, 12万元, 参与人
3. 氢混环境下燃气轮机典型部件氢损伤机制及腐蚀失效机理研究, 航空发动机及燃气轮机基础科学中心重点项目, (编号:P2022-B-IV-009-002), 2022.10-2024.10, 36.7万元, 课题负责人
4. 航空航天用铝合金表面防护与性能提升的模拟设计,中央高校基本科研业务费(编号:FRF-GF-20-25B),2020.12-2021.11,5万元,项目负责人
5. 金属/氧化膜界面势的构建及应用,中央高校基本科研业务费(编号:FRF-TP-18-005A3),2019.3-2020.11,20万元,项目负责人
6. 基于相场法/分子动力学模拟耦合界面的沥青低温断裂机理多尺度研究,国家自然科学基金青年基金(编号:51708026),2018.01-2020.12,23万元,参与人
7. 含Cl离子溶液中Al2O3膜破坏微观机理的原子级模拟研究,国家自然科学基金青年基金(编号:51501009),2016.01-2018.12,23万元,项目负责人
8. Cl离子吸附对氧化铝膜开裂影响的原子级模拟研究,中央高校基本科研业务费(编号:FRF-TP-15-011A2),2015.10-2016.09,5万元,项目负责人
9. Ni-P纳米颗粒生长过程的原子级模拟,中国博士后基金(编号:2014M560886),2014.09-2016.04,5万元,项目负责人
10. 金属点蚀中电化学参数与结构形貌的多尺度计算,中央高校基本科研业务费(编号:FRF-TP-14-011A1),2014.07-2015.06,5万元,项目负责人 -
指导学生情况
每年招收硕士生两名,诚邀有兴趣的同学加入