副教授、硕士生导师
材料科学与工程学院
北京化工大学先进弹性体研究中心
E-mail：gaoyy@mail.buct.edu.cn
（一）教育与工作经历：
2016.9-现在 北京化工大学材料科学与工程学院副教授 优秀青年后备人才
2011.9-2016.7 北京化工大学化学工程与技术专业 (导师张立群院士) 本科直博
2014.9-2015.9 德国达姆斯塔特工业大学化学系 (导师Florian Müller-Plathe教授) 联合培养博士
2007.9-2011.7 北京化工大学高分子材料与工程专业 本科
（二）研究领域
主要研究领域是高性能与多功能弹性体复合材料分子设计、结构与性能的计算机模拟与实验研究。主要研究方向有：
1.弹性体复合材料的高通量计算、高通量实验、数据库与人工智能；
2.高导热高导电弹性体复合材料分子设计、结构和性能研究；
3.高强度自修复可重复加工弹性体复合材料分子设计、结构和性能研究；
4.弹性体材料流变性能和分子机制。
（三）研究成果与获奖
承担国家自然科学基金2项，北京市自然科学基金1项，重点专项课题3项以及多项横向课题。以第一作者或通讯作者发表论文50余篇, 包括ACS Nano, Macromolecules, Langmuir, Journal of Physical Chemistry B/C, Composites Science and Technology, Soft Matter, Polymer等高水平期刊。担任Advanced Nanocomposites青年编委。多次在国内外学术会议上进行邀请报告。
1.国家自然科学基金面上项目(51973012)：高导热高柔顺性热界面材料的模拟与制备研究2020.1-2023.12
2.国家自然科学基金青年项目(21704003)：弹性体纳米复合材料断裂机制的分子动力学模拟研究2018.1-2020.12
3.北京市自然科学基金面上项目(2212043)：高导电高柔顺性电磁屏蔽材料的模拟与制备研究2021.1-2023.12
4.自增塑链中官能化SSBR牌号开发及性能评价，中国石油化工股份有限公司，2021.6-2031.6
5.分子集成粘弹性阻尼声学材料的分子动力学模拟计算，中国船舶重工集团公司第七二五研究所（洛阳船舶材料研究所），2020.1-2020.12
6.覆膜状态编织石英纤维增强二氧化硅材料失效机理与吸湿模拟研究，航天材料及工艺研究所，2019.7-2021.7
7.轮胎胎面材料结合胶含量提升基因分析及研究，杭州朝阳橡胶有限公司，2018.9-2020.9
8. 2013年获得中国橡胶基础研究研讨会“中国橡胶科技创新奖”。
（四）代表性学术论文：
1. Haoxiang Li, Yimin Wang, Wenfeng Zhang, Ruibin Ma, Xiuying Zhao, Xin Liu, Liqun Zhang, and Yangyang Gao*. Structure, Dynamics, and Rheological Behavior of Associative Polymers Formed by Hydrogen Bonds. Macromolecules, 2024, 57, 3, 1106-1117.
2. Yimin Wang, Yang Zhang, Lin Su, Shikai Hu, Ping Xiang, Xiuying Zhao, Li Liu, Liqun Zhang, Yangyang Gao*. Viscoelasticity and self-healing property of dynamic covalent polymers: A molecular dynamics simulation. Polymer, 2024, 295, 126775.
3. Tong Huang, Xin Liu, Ruibin Ma, Yangyang Gao*, et al. Polynorepinephrine-regulated filler sulfonation toward interfacial reformation and conductive promotion of nanocomposite proton exchange membrane. Chemical Engineering Journal, 2024, 484, 149582.
4. Ruibin Ma, Wenfeng Zhang, Yimin Wang, Haoxiang Li, Xiuying Zhao, Xiaolin Li, Liqun Zhang, and Yangyang Gao*. Manipulating the Void Nucleation and Propagation in Silica Nanoparticle/Polyisoprene Nanocomposites via Grafted Chains: A Multiscale Simulation. Macromolecules, 2023, 56, 8448-8460.
5. Yangyang Gao*.et al. Multichannel Flexible Pulse Perception Array for Intelligent Disease Diagnosis System. ACS Nano. 2023, 17, 5673-5685.
6. Haoxiang Li, Hao Tian, Yewei Chen, Sian Xiao, Xiuying Zhao, Yangyang Gao*, and Liqun Zhang. Analyzing and Predicting the Viscosity of Polymer Nanocomposites in the Conditions of Temperature, Shear Rate, and Nanoparticle Loading with Molecular Dynamics Simulations and Machine Learning. J. Phys. Chem. B 2023, 127, 15, 3596-3605.
7. Shaoding Yang, Wenfeng Zhang, Ruibin Ma, Haoxiang Li, Yonglai Lu, Xiuying Zhao, Liqun Zhang and Yangyang Gao*. Manipulating the Thermal Conductivity of the Graphene/Poly(vinyl alcohol) Composite via Surface Functionalization: A Multiscale Simulation. Langmuir, 2023, 39, 9703-9714.
8. Wenfeng Zhang, Zoumeng Hu, Yonglai Lu, Tianhang Zhou, Huan Zhang, Xiuying Zhao, Li Liu, Liqun Zhang, and Yangyang Gao*. Molecular Dynamics Simulation on the Heat Transfer in the Cross-Linked Poly(dimethylsiloxane). J. Phys. Chem. B 2023, 127, 10243-10251.
9. Wei Sun, Haoyu Wu, Yanlong Luo, Bin Li, Lixin Mao, Xiuying Zhao, Liqun Zhang, Yangyang Gao*. Structure and dynamics behavior during the glass transition of the polyisoprene in the presence of pressure: A molecular dynamics simulation. Polymer, 2022, 238, 124433.
10. Shikai Hu, Shaoyun He, Yimin Wang, Yaowen Wu, Tao Shou, Dexian Yin, Guangyao Mu, Xiuying Zhao, Yangyang Gao, Jun Liu, Fanzhu Li, Mingming Guo, Liqun Zhang. Self-repairable, recyclable and heat-resistant polyurethane for high-performance automobile tires. Nano Energy, 2022, 95, 107012.
11. Dandan Luo, Haoyu Wu, Haoxiang Li, Wenfeng Zhang, Liqun Zhang, Yangyang Gao*. Effect of shape and size of nanofillers on the viscoelasticity of polymer nanocomposites. Polymer, 2022, 246, 124750.
12. Yimin Wang, Ruibin Ma, Haoxiang Li, Shikai Hu, Yangyang Gao*, Li Liu, Xiuying Zhao and Liqun Zhang. Effect of the content and strength of hard segment on the viscoelasticity of the polyurethane elastomer: insights from molecular dynamics simulation. Soft Matter. 2022, 18, 4090-4101.
13. Nan Hu, Yimin Wang, Ruibin Ma, Wenfeng Zhang, Bin Li, Xiuying Zhao, Liqun Zhang and Yangyang Gao*. Optimizing the fracture toughness of a dual cross-linked hydrogel via molecular dynamics simulation. Phys. Chem. Chem. Phys., 2022, 24, 17605-17614.
14. Haoyu Wu, Ruibin Ma, Yimin Wang, Xiuying Zhao, Liqun Zhang and Yangyang Gao*. Manipulating the percolated network of nanorods in polymer matrix by adding non-conductive nanospheres: A molecular dynamics simulation. Composites Science and Technology. 2022, 229, 109694.
15. Bin Li, Yong-Lei Wang, Guang Shi, Yangyang Gao, Xinghua Shi, Clifford E. Woodward, Jan Forsman. Phase Transitions of Oppositely Charged Colloidal Particles Driven by Alternating Current Electric Field. ACS Nano, 2021, 15, 2363-2373.
16. Jialiang Chen, Jiaxuan Li, Jing Zhu, Xianling Chen, Yao Liu, Yangyang Gao, Zhenyang Luo, Sizhu Wu, Yanlong Luo. New Insights into the Quantitative Relationship between Surface Chemistry of Fullerene (C60) and Solubility Parameters and Compatibility with Polymers. J. Phys. Chem. B, 2021, 125, 5420-5433.
17. Haoxiang Li, Haoyu Wu, Wenfeng Zhang, Xiuying Zhao, Liqun Zhang, Yangyang Gao*. Rheological mechanism of polymer nanocomposites filled with spherical nanoparticles: Insight from molecular dynamics simulation. Polymer, 2021, 231, 124129.
18. Wenfeng Zhang, Haoxiang Li, Hanyu Jiang, Haoyu Wu, Yonglai Lu, Xiuying Zhao, Li Liu, Yangyang Gao,* and Liqun Zhang. Influence of Surface Defects on the Thermal Conductivity of Hexagonal Boron Nitride/Poly(dimethylsiloxane) Nanocomposites: A Molecular Dynamics Simulation. Langmuir, 2021, 37, 12038-12048.
19. Huan Zhang, Ruibin Ma, Dandan Luo, Wen Xu, Yunfeng Zhao, Xiuying Zhao, Yangyang Gao*, Liqun Zhang. Understanding the cavitation and crazing behavior in the polymer nanocomposite by tuning shape and size of nanofiller. Polymer, 2020, 188, 122103.
20. Haoxiang Li, Haoyu Wu, Bin Li, Yangyang Gao*, Xiuying Zhao, Liqun Zhang. Molecular dynamics simulation of fracture mechanism in the double interpenetrated cross-linked polymer. Polymer, 2020, 199, 122571.
21. Haoyu Wu, Haoxiang Li, Wenfeng Zhang, Fanzhu Li, Bin Li, Yangyang Gao*, Xiuying Zhao, Liqun Zhang. Percolation of polydisperse nanorods in polymer nanocomposites: insights from molecular dynamics simulation. Composites Science and Technology. 2020, 196, 108208.
22. Fan Qu, Wei Sun, Bin Li, Fanzhu Li, Yangyang Gao*, Xiuying Zhao, Liqun Zhang. Synergistic effect in improving the electrical conductivity in polymer nanocomposites by mixing spherical and rod fillers. Soft Matter. 2020, 16, 10454-10462.
23. Xiaohui Duan, Huan Zhang, Jun Liu, Yangyang Gao*, Xiuying Zhao, Liqun Zhang*. Optimizing the electrical conductivity of polymer nanocomposites under the shear field by hybrid fillers: insights from molecular dynamics simulation. Polymer, 2019, 168, 138-145.
24. Yangyang Gao, Fan Qu, Wencai Wang, Fanzhu Lia, Xiuying Zhao, Liqun Zhang*. Increasing the electrical conductivity of polymer nanocomposites under the external field by tuning nanofiller shape. Composites Science and Technology. 2019, 176, 37-45.
25. Fengyan Hu, Yun Nie, Fanzhu Li, Jun Liu, Yangyang Gao*, Wencai Wang, Liqun Zhang*. Molecular dynamics simulation study of the fracture properties of polymer nanocomposites filled with grafted nanoparticles. Phys. Chem. Chem. Phys., 2019, 21, 11320-11328.
26. Yangyang Gao, Xiaohui Duan, Peng Jiang, Huan Zhang, Jun Liu, Shipeng Wen, Xiuying Zhao, Liqun Zhang*. Molecular dynamics simulation of the electrical conductive network formation of polymer nanocomposites by utilizing diblock copolymer-mediated nanoparticles. Soft Matter. 2019, 15, 6331-6339.
27. Huan Zhang, Haoxiang Li, Fengyan Hu, Wencai Wang, Xiuying Zhao, Yangyang Gao* and Liqun Zhang. Cavitation, crazing and bond scission in the chemical cross-linked polymer nanocomposite Soft Matter. 2019, 15, 9195-9204. （封面文章）
（五）代表性邀请报告：
1. 2023 International Rubber Conference；
2. 2023 全国高分子学术论文报告会；
3. 2023 软物质理论计算与模拟学术会；
4. 第三届功能材料与界面科学大会暨2023年能源青年科学家论坛
5. 2023年第四届全国功能高分子材料学术研讨会；
6. 2022流变表征前沿技术与多源数据分析云论坛。
