主持项目:

1. 2026.01~2029.12：Ti/Cu共掺杂纳米晶-非晶碳基复合薄膜的耐磨与超滑特性及其界面调控机制，52572050，国家自然科学基金面上项目，50万元，在研。

2. 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，结题。

3. 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，结题。

4. 2023.01~2024.12：三维石墨烯网络增强铜基复合材料强韧化及导电特性研究，SKLSP202316，凝固技术国家重点实验室开放课题，10万元，在研。

5. 2024.01-2025.12：铜铁纳米晶合金晶界与溶质偏析/沉淀析出交互作用的热动力学行为及其强化机制，2024JC-YBQN-0503，陕西省自然科学基金青年项目，5万元，在研。

6. 2021.12-2025.12：大功率激光应用的金刚石材料制备及特性研究，2021YFB3602100-ZK02，子课题负责人，科技部重点研发计划青年科学家项目，30万元，在研。

7. 2025.05~2027.12：无机复合材料界面强化性能分析及其数据库开发，企业横向，20250557，120万元，在研。

8. 2025.11~2026.04：磁性材料基本物性测试，西北有色金属研究院，202511203，3万元，在研。

参与项目

1. 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。

2. 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，国家自然科学基金面上项目，54万元，骨干成员，排名第2，负责石墨烯复合材料多尺度建模及强化机制研究。

3. 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。

4. XXX ~ XXX：XXX，XXX，118万元，骨干成员，排名第2，负责XXX模块。

5. 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。

6. 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。

7. 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。

8. 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。

9. 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。

教改项目

1. 2021.5~2022.8：透射电镜下微纳尺度单晶原位加载变形及其位错演变虚拟仿真实验,省部级，7万元，排名第3，负责分子动力学模块的开发与维护。

2. 2020.6~2021.6: 透射电镜下微纳尺度单晶原位加载变形及其位错演变虚拟仿真实验，校级，2万元，排名第3，负责分子动力学模块的开发与维护。

3. 第二届全国虚拟仿真实验教学一流课程，透射电镜下微纳尺度单晶原位加载变形及其位错演变虚拟仿真实验，课程团队主要成员，排名第三。

***********************************************2025**************************************************

[1]     Hongwei Bao, Qinghua Zhao, Yaping Miao, Yan Li, Hang Liu, Fei Ma*, Vacancy-induced interfacial crosslinking in graphene/carbon nanotube composites and its influence on mechanical behaviors: A molecular dynamics simulation, Carbon, 2025, 232,119768.

[2]     Zhen Guo, Hui Ma, Danmin Peng, Hongwei Bao*, Zhipeng Sun, Yong Xin*, Jibin Zhang b, Fei Ma*, Temperature effects on Xe bubble structure and grain boundary migration in UO2: A molecular dynamics simulation, Journal of Materials Research and Technology, 35 (2025) 743–753.

[3]     Hao Yuan, Hongwei Bao*, Qinghua Zhao, Zhen Guo, Yan Li*, Fei Ma*, Oxygen modification enhanced bonding behaviors in Cu/graphene interface: First principles calculations, Surfaces and Interfaces, 58 (2025) 105866.

[4]     Huizhong Bai, Guijin Zou,* Hongwei Bao, Suzhi Li, Fei Ma,* and Huajian Gao*, Dual-Scale Friction Dynamics Associated with Moiré Superlattices in Layered Materials, Adv. Funct. Mater. 2025, 2420760.

[5]     Tingting Liang, Yan Li, Xu Zhang, Hongwei Bao, Fengnan Li, Xueqian Liu, Zhengfei Dai, and Hang Liu*, Selenium-doped hematite (a-Fe₂O₃) hollow nanorods for highly sensitive and selective detection of trace NO₂, J. Mater. Chem. C, 2025, https://doi.org/10.1039/D4TC05464D.

[6]     Xinru Ma, Yuchen Lei, Hongwei Bao, Wenting Wu, Fei Ma*, and Yan Li*, Strain-tunable and carrier-driven structural and magnetic phase transitions in one-dimensional dimerized MoX₃ (X = Br, I) atomic chains, Physical Review Materials, 2025, 9, 034412.

***********************************************2024**************************************************

[7]  Hui Ma, Danmin Peng, Hongwei Bao*, Zhipeng Sun*, Jibin Zhang, Fei Ma*. Interaction between Xe bubbles and grain boundaries as well as the influences on structural evolution in UO₂: A molecular dynamics simulation, Journal of Nuclear Materials, 2024, 594, 155039

[8]     Yixue Zhu, Hongwei Bao*, Zhaokai Yang, Hongquan Jiang, Fei Ma*. Grain boundaries-dominated migration failure of copper interconnect under multiphysics field: Insight from theoretical modeling and finite element analysis, Microelectronics Reliability, 2024,154,115346.

[9]     Zhaokai Yang, Yixue Zhu, Hongquan Jiang, Hongwei Bao*, Fei Ma*. Effects of Non-Gaussian Surface Roughness on Conductor Loss in High-Frequency Transmission Lines. IEEE Transactions on Components, Packaging and Manufacturing Technology, 2024, accepted.

[10] Meng Qi, Aijuan Wang, Zhaobo Li, Kai Wang, Siyu Yan, Dongliang Ge, Pei Zhao, Jiale Wang, Hongwei Bao. Evolution of microstructure and grain boundaries during annealing of high-purity tantalum materials. International Journal of Refractory Metals and Hard Materials, 2024, 121, 106664.

[11] Shuohan Yang, Hongwei Bao*, Huizhong Bai, Yan Li, Haodong Xu, Fei Ma. Effects of Fe solid solute on grain boundaries of bi-crystal Cu: A molecular dynamics simulation, Nano Materials Science, 2024,6, 86–95. (ESCI, IF:12.6)

***********************************************2023**************************************************

[12] Chunjiao Chen#, Huizhong Bai#, Hongwei Bao*, Haodong Xu, Shuohan Yang, Hui Ma,Yan Li, Fei Ma*,The atomic structure evolution and strengthening mechanism in three-dimensional network graphene enhanced Cu: A molecular dynamics simulation Journal of Alloys and Compounds, 2023, 963, 171293. (SCI, IF:6.2, 中科院二区, Top期刊)

[13] 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, 复合材料学报，2023,40(3): 1-15. （EI，中文综述）

[14] Huizhong Bai, Guijin Zou,* Hongwei Bao, Suzhi Li, Fei Ma,* and Huajian Gao*, Deformation Coupled Moiré Mapping of Superlubricity in Graphene. ACS Nano, 2023, 17, 12594−12602. (SCI, IF:17.1, 中科院一区, Top期刊)

[15] Fennan Li, Yan Li, Hongwei Bao*, Hongxing Wang, Fei Ma*，Fabrication of hydroxyl terminated diamond by high-voltage hydroxideion treatments. Applied Surface Science, 2023, 622, 156909. (SCI, IF:6.7, 中科院一区, Top期刊)

[16] Fennan Li, Hongwei Bao*, Yan Li, Hongxing Wang, Fei Ma*，Laser induced diamond/graphite structure for all-carbon deep-ultraviolet photodetector, Applied Surface Science, 2023, 636 157818. (SCI, IF:6.7, 中科院一区, Top期刊)

***********************************************2022**************************************************

[17] 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)

[18] 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:6.7, 中科院一区, Top期刊)

[19] Huizhong Bai, Hongwei Bao*, Yan Li , Haodong Xu , Suzhi Li*, Fei Ma*. One-Dimensional Strain Solitons Manipulated Superlubricity on Graphene Interface, Journal of Physical Chemistry Letters, 2022, 13, 7261−7268. (SCI, 5.7, 中科院二区，TOP期刊，Nature Index期刊)

[20] Huizhong Bai, 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:10.9, 中科院一区, Top期刊)

[21] 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:7.2, 中科院二区，Top 期刊)

[22] 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）

***********************************************2021**************************************************

[23] 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:6.2, 中科院二区)

[24] Haodong Xu, 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:6.2, 中科院二区, Top期刊)

[25] 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 IF:3.0)

[26] 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, Physical. Chemistry. Chemical. Physics, 23, 7080. (SCI, IF：3.3 中科院二区，Top期刊)

[27] Yong Xin, Hongwei Bao, Zhi -Peng, Sun, Ji -Bin Zhang, Shi -Chao Liu, Zi -Xuan Guo, Hao -Yu Wang, Fei Ma, Yuanming 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)

***********************************************2020**************************************************

[28] 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)

[29] 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24)

[30] Guanjun Chen, Zhengfei Dai, Hongwei Bao, Long Zhang, Lan Sun, Huaqiang Shan, Shuai Liu Fei Ma, Enhanced Anti-CO poisoning of platinum on mesoporous carbon spheres by abundant hydroxyl groups in methanol electro-oxidation，Electrochimica Acta, 2020, 336:135751 (SCI: IF:6.6, 中科院二区，Top期刊)

[31] 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:4.0, 中科院三区)

[32] 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:11.9, 中科院二区，Top期刊)

***********************************************2019**************************************************

[33] 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:11.9, 中科院一区，Top期刊)

*******************************************before 2019********************************************

[34] 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:3.7, 中科院三区, 他引50)

[35] 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：3.3, 中科院二区，Top期刊)

[36] 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：6.7, 中科院一区，Top期刊)

[37] 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：4.5, 中科院三区)

[38] 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:10.9, 中科院一区，Top期刊)

[39] 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:2.7, 中科院二区)

[40] 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：4.5, 中科院三区)

[41] 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: 3.9, 中科院三区).

[42] 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: 3.9, 中科院三区).

[43] 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).

[44] 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: 3.3 中科院三区，他引40).

[1]    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).

[2]    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，(Poster) .

[3]    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.

[4]    包宏伟，基于摩尔图案调控二维材料层间超润滑特性. 2023年4月21-23，湖北武汉，第十四届全国表面工程大会，口头报告.

[5]    包宏伟，铜铁合金微观组织演化及其强韧化的原子模拟. 2023年7月24-26日，甘肃兰州，中国微米纳米技术学会微纳结构表征创新论坛（2023），口头报告.

[6]    包宏伟，裂变气体与 U0₂ 晶界相互作用的分子动力学模拟，2023年12月1-3日，四川成都，2023战略资源与新能源科技创新发展大会暨2023核材料学术交流会，口头报告.

[7]    包宏伟，金属/石墨烯表界面力学行为及其润滑强韧机制的原子模拟，2024年5月10日-12日，浙江宁波，第十四届全国青年表面工程学术会议，特邀报告.

[8]    包宏伟，二维材料界面摩尔图案及其超滑演化机制， 2024年4月20-23日，河北秦皇岛，2024年全国青年摩擦学学术会议，口头报告.

[9]    包宏伟，Moiré pattern based interfacial superlubricity in two-dimensional materials, 2024年9月15-18日，天津，第七届亚洲国际摩擦学大会暨第九届中国国际摩擦学大会(ASIATRIB & CICT2024)， 口头报告（Oral）.

[10]  包宏伟，Vacancy-Induced Interfacial Crosslinking in Graphene/Carbon Nanotube， 2025年1月19-21日，广东深圳，2025 Structural Superlubricity Conference, 口头报告（Oral）.

[11] 包宏伟，极薄铜箔界面强化及其服役效能评价的多尺度模拟研究，2025年11月14-16日，广东深圳，第十七届全国薄膜技术学术研讨会，邀请报告.