围绕科技前沿与国家重大需求方向，长期致力于材料表/界面力学行为及其调控设计的多尺度模拟研究。在二维材料表/界面结构及形变/相变特性，范德华层状材料界面超润滑机理与调控以及高性能铜合金复合材料模拟设计等领域获得了突出成果。目前主持国家自然科学基金青年项目1项，中国博士后基金面上项目1项，作为骨干成员参与科技部重点研发计划、国家自然科学基金面上、陕西省杰青及中国核动力研究院横向项目多项，为陕西省创新团队及西安市重点实验室核心成员。在Int. J. Plast、J. Phys. Chem. Lett，Carbon, Physical review B, Appl. Surf. Sci., JPCC等国际知名期刊发表SCI论文30余篇，其中以第一/通讯作者发表SCI论文10篇。

主持项目：

• 2020.1~2022.12：二维晶体层间超润滑行为及界面调控机制研究，51901177，国家自然科学基金青年项目，25万元，进行中。
• 2019.1~2020.12：基于摩尔图案调控的二维材料界面结构及其超润滑研究，2019M653596，国家博士后基金面上项目二等资助，8万元，进行中。

参与项目：

• 2021.11~2024.11：高强极薄铜箔制造成套技术及装备研制（质量稳定性控制及性能评价），2021YFB3400805，科技部重点研发计划子课题，262万元，骨干成员，排名第4，主要负责高强极薄铜箔多场服役性能评价。
• 2023.1~2025.12：石墨烯增强铜基复合材料强韧性与热/电传输特性的协同调控机制研究，52271136，54万元，骨干成员，排名第2。
• 2021.1~2023.12：石墨烯增强高性能铜基复合材料，2021JC-06，陕西省杰出青年基金，30万元，排名第3，主要负责石墨烯增强铜基材料的理论模拟设计。
• 2021.11~2024.12：XXX研究，XXX，XXX子课题，118万元，骨干成员，排名第2，负责XXX模块。
• 2017.1~2019.12：石墨烯大面积制备过程中的金属原子同步掺杂及其物理效应研究，51601142，国家自然科学基金青年项目,20万元，排名第6，主要负责石墨烯-金属原子相互作用及其摩尔图案特征。
• 2018.9~2020.12：磷烯/TMDs异质结的电子和光学特性及其应变和电场调控研究，11704304，国家自然科学基金青年项目，24万元，排名第6，主要负责二维异质结构的前期设计与光电特性的理论计算。
• 2017.3~2019.12：TMDs二维原子晶体的2H-1T相变及界面特性增强机制研究,51771144，国家自然科学基金面上项目，65万元，排名第5，主要负责TMDs二维晶体结构相变机制及其光电特性理论预测
• 2018.7~2020.3：燃料及材料辐照行为的微观尺度数值模拟计算分析，20180734，核动力研究院横向课题，190万元，排名第3，主要负责核燃料及包壳材料建模及热力学特性的分子动力学模拟。
• 2019.4~2021.6：镍基自润滑耐磨复合涂层的激光熔覆制备及自润滑机理研究，20190468，陕西省表面工程与再制造重点实验室开放课题，6万元，排名第4，主要负责金属涂层界面润滑特征的理论分析。

发表文章：

1. Hongwei Bao^#, Haodong Xu^#, Yan Li , Huizhong Bai , Fei Ma. The interaction mechanisms between dislocations and nano-precipitates in CuFe alloys: A molecular dynamic simulation, International Journal of Plasticity, 2022, 155, 103317 (SCI, IF:8.5, 中科院一区, Top期刊，塑性力学顶刊)
2. Hongwei Bao, Yaping Miao, Yan Li, Huizhong Bai, Fei Ma*, Unveiling the moiré evolution and superlubricity in twisted bilayer 2D phosphorus at atomistic scale, Applied surface science, 2022, 606,154796 (SCI, IF:7.4, 中科院一区, Top期刊)
3. Huizhong Bai（指导博士生）, Hongwei Bao *, Yan Li , Haodong Xu , Suzhi Li*, Fei Ma*. One-Dimensional Strain Solitons Manipulated Superlubricity on Graphene Interface, J. Phys. Chem. Lett. 2022, 13, 7261−7268 (SCI, 6.9, 中科院二区，TOP期刊，Nature Index期刊)
4. Huizhong Bai（指导博士生）, Hongwei Bao *, Yan Li , Haodong Xu , Suzhi Li*, Fei Ma*.Moire pattern based universal rules governing interfacial superlubricity: A case of graphene, Carbon, 2022,191, 28-35. (SCI, IF:11.3, 中科院一区, Top期刊)
5. Xinyue Cao, Huizhong Bai, Wenting Wu, Hongwei Bao*, Yan Li*. Improving the catalytic activity of two-dimensional Mo2_C for hydrogen evolution reaction by doping and vacancy defects. International Journal of Hydrogen Energy, 2022 (SCI, IF:7.14, 中科院二区，Top 期刊)
6. 包宏伟, 李燕, 马飞*, 金属钨辐照缺陷与氢/氦作用的计算模拟研究进展, 稀有金属材料与工程，2022，3，1101（SCI，中文综述）
7. 陈春娇，包宏伟*，白惠中，杨朔寒，李燕，马飞*，石墨烯增强铜基复合材料研究进展，2022复合材料学报，（EI，中文综述）
8. Yaping Miao, Hongwei Bao*, Wei Fan, Yan Li*, Fei Ma*. The Adsorption behaviors of pristine MoS₂ and N-MoS₂ Monolayer: A First-Principles Calculation, Surfaces and Interfaces, 2021, 27, 101580. (SCI, IF:6.1, 中科院二区)
9. Haodong Xu, （指导硕士生） Hongwei Bao*, Yan Li, Huizhong Bai, Fei Ma*.Atomic scale insights into the rapid crystallization and precipitation behaviors in FeCu binary alloys, Journal of Alloys and Compounds, 2021, 882: 160725. (SCI, IF:6.4, 中科院二区, Top期刊)
10. Hongwei Bao, Yaping Miao*, Fei Ma*. Effect of point defects and nanopores on the fracture behaviors in single-layer MoS₂ nanosheets, Nano Express, 2021, 2(4): 040006. (ESCI新刊)
11. Weiwei Liu, Hongwei Bao, Yan Li * and Fei Ma*. Highly tunable electronic structure and linear dichroism in 908 twisted a-phosphorus carbide bilayer: a first-principles calculation, Phys. Chem. Chem. Phys., 2021, 23, 7080. (SCI, IF：3.676, 中科院二区，Top期刊)
12. Yong Xin, Hongwei Bao, Zhi -Peng, Sun, Ji -Bin Zhang, Shi -Chao Liu, Zi -Xuan Guo, Hao -Yu Wang, Fei Ma, Yuan -Ming Li. Effects of Th doping on mechanical properties of U_1–xTh_xO₂: An atomistic simulation, 物理学报 Acta Phys. Sin., 2021, 70, 12, 122801. (中文SCI)
13. Yan Li, Hongwei Bao, Jian Zhou, and Fei Ma*， Tunable charge density wave in a lateral black/blue phosphorene heterostructure: A first-principles calculation，Physical Review B 102, 165308 (2020) (SCI: IF:3.575, 中科院二区，Top期刊)
14. Yunjin Sun†, Xing Tang†, Hongwei Bao, Zhi Yang*, Fei Ma*. The effects of hydroxide and epoxide functional groups on the mechanical properties of graphene oxide and its failure mechanism by molecular dynamics simulations, RSC Advances, 2020, 10, 29610. (SCI: IF:3.361, 中科院三区，他引9)
15. Guanjun Chen, Zhengfei Dai, Hongwei Bao, Long Zhang, Lan Sun, Huaqiang Shan, Shuai Liu Fei Ma, Electrochimica Acta, 2020, 336:135751 (SCI: IF:6.901, 中科院二区，Top期刊)
16. Yaping Miao, Hongwei Bao, Wei Fan, Fei Ma, Modulation of the electronic structure and magnetism performance of V-doped monolayer MoS₂ by strain engineering, Journal of Physics and Chemistry of Solids, 2020, 142:109459. (SCI: IF:4.4, 中科院三区)
17. Guanjun Chen, Huaqiang Shan, Yan Li, Hongwei Bao, Tingwei Hu, Long Zhang, Shuai Liu, Fei Ma*, Hollow PtCu Nanoparticles Encapsulated into Carbon Shell via Mild Annealing of Metal-Organic Frameworks. Journal of Materials Chemistry A, 2020,8,1039. (SCI: IF:14.5, 中科院一区，Top期刊)
18. Guanjun Chen, Zhengfei Dai*, Lan Sun, Long Zhang, Shuai Liu, Hongwei Bao, Jinglei Bi, Shengchun Yang, and Fei Ma*, Synergistic Effects of Platinum-Cerium Carbonate Hydroxides-Reduced Graphene Oxide on Enhanced Durability for Methanol Electro-Oxidation. Journal of Materials Chemistry A, 2019,7,6562. (SCI: IF:14.5, 中科院一区，Top期刊)
19. Hongwei Bao, Yuhong Huang, Zhi Yang, Yaping Miao, Yunjin Sun, Yu Bai, Kewei Xu, and Fei Ma*.  Molecular dynamics simulation of nano-crack propagation in Single-layer MoS₂ nanosheets, Journal of Physical Chemistry C, 2018, 122, 1351−1360. (SCI, IF:4.309, 中科院二区, Top期刊，他引41)
20. Hongwei Bao, Yuhong Huang, Zhi Yang, Yaping Miao, Yunjin Sun, Yu Bai, Kewei Xu, and Fei Ma*. Circular torsion induced fan-blade shaped wrinkling in two-dimensional nano-rings, Phys. Chem. Chem. Phys., 2017, 19, 25360. (SCI, IF：3.567, 中科院二区，Top期刊)
21. Hongwei Bao, Yuhong Huang, Zhi Yang, Yaping Miao, Paul K Chu, Kewei Xu, Fei Ma*. Tensile loading induced phase transition and rippling in single-layer MoS₂, Applied Surface Science, 2017, 404, 180. (SCI, IF：7.4, 中科院一区，Top期刊)
22. Hongwei Bao, Yuhong Huang, Fei Ma*, Zhi Yang, Yaping Miao, Kewei Xu, and Paul K. Chu. Size-dependent elastic modulus of single-layer MoS₂ nano-sheets, Journal of Materials Science, 2016, 51 6850. (SCI, IF：3.442, 中科院三区)
23. Tingwei Hu, Hongwei Bao, Shuai Liu, Xiangtai Liu, Dayan Ma, Fei Ma*, Kewei Xu*. Near-Free-Standing Epitaxial Graphene on Rough SiC Substrate by Flash Annealing at High Temperature, Carbon, 2017, 120: 219-225. (SCI: IF:11.3, 中科院一区，Top期刊)
24. Yaping Miao , Yuhong Huang , Hongwei Bao, Kewei Xu, Fei Ma, Paul K Chu, Tunable magnetic coupling in Mn-doped monolayer MoS₂ under lattice strain. J. Phys.: Condens. Matter, 2018, 30, 215801. (SCI: IF:2.617, 中科院二区)
25. Zhi Yang, Yuhong Huang, Hongwei Bao, Kewei, Xu*, Fei Ma*. Synergistic effects of grain boundaries and edges on fatigue deformations of sub-5 nm graphene nanoribbons, Journal of Materials Science, 2017,52: 10871. (SCI, IF：3.442, 中科院三区)
26. Zhi Yang, Yuhong Huang, Fei Ma*, Yaping Miao, Hongwei Bao, Kewei, Xu*, Paul K. Chu. Lattice shearing in nano-grained graphene sheets: a molecular dynamics simulation. RSC Advances, 2015, 5: 105194. (SCI, IF: 3.049, 中科院三区).
27. Zhi Yang, Yuhong Huang, Fei Ma*, Yaping Miao, Hongwei Bao, Kewei, Xu*, Paul K. Chu. Energy dissipation in mechanical loading of nano-grained graphene sheets, RSC Advances, 2016, 6: 60856. (SCI, IF: 3.049, 中科院三区).
28. Zhi Yang, Yuhong Huang, Fei Ma*, Yaping Miao, Hongwei Bao, Kewei, Xu*. Misorientation angle depended deformation of bilayer graphene sheets under in-plane loading. Integrated Ferroelectrics, 2017,179, 120. (SCI, IF: 0.457).
29. Fuling Tang*, Houmin Cai, Hongwei Bao, Hongtao Xue, Wenjiang Lu, Liang Zhu, Zhiuuan Rui. Molecular dynamics simulations of void growth in γ-TiAl single crystal. Computational Materials Science, 2014, 84 232. (SCI, IF: 2.530, 中科院三区，他引40).
30. 路文江*，包宏伟，汤富领，蔡后敏，芮执元，朱亮. 纳米线高应变率拉伸超塑性，兰州理工大学学报，2015,41,1.

学术会议：

• Hongwei Bao and Fei Ma*, Effects of point defects on the deformation behaviors of SLMoS₂ nanosheets under tensile loading. 14th International Conference on Fracture (ICF14), 2017, Rhodes, Greece. (oral).
• Hongwei Bao and Fei Ma*, Molecular Dynamics Simulation of Nano-Crack Propagation in Single-Layer MoS₂ Nanosheets. 2019 International Symposium on Graphene Advanced Nanomaterials and Defects Engineering, Xi’an, China
• 包宏伟，基于摩尔图案调控二维材料层间超润滑特征. 2021年5月14-16，江苏扬州，第十三届全国青年表面工程学术会议，口头报告