周笑靥副教授

周笑靥博士是深圳北理莫斯科大学副教授，在北京科技大学获得材料物理学士学位后，前往香港科技大学攻读机械工程博士学位。博士毕业后前往本田技术研究所从事研发工作。主要研究方向是利用人工智能与计算材料学开展材料性能优化设计。主持国家自然科学基金、广东省国际合作计划等6项，参与国家重点研发计划2项。在Acta Materialia, Nature Communications等期刊发表论文47篇。

■ Biography-Short  Description

Dr.  Xiao-Ye Zhou is an associate  professor at Shenzhen MSU-BIT  University. After receiving her  bachelor's degree in materials  physics from University of  Science and Technology Beijing,  she went to the Hong Kong  University of Science and  Technology to pursue her Ph.D.  in mechanical engineering. She  then went to Japan and worked in  R&D at the Honda Research  Institute after graduation.  Currently, her main research  interest is to use artificial  intelligence and computational  materials science to carry out  material design for better  performance. She is the PI of  one youth project of the  National Natural Science  Foundation of China, one open  project of the National  Engineering Center, and a key  member in two national key  research and development  programs. She has published 47  papers in Acta Materialia,  Nature Communications and other  journals.

■ 教育经历

□ 2008.09-2012.06  北京科技大学材料物理系，本科;
□ 2012.08-2016.08  香港科技大学机械工程系，博士.

■ 工作经历

□ 2016.10-2018.06 本田技术研究所，副研究员；

□ 2018.07-2022.12 深圳大学土木与交通学院，副研究员；

□ 2023.01-至今 深圳北理莫斯科大学材料系，副教授.

■ 研究领域

□ 金属材料塑性变形机理的原子模拟；

□ 高强钢、钛合金氢脆机理与跨尺度模拟；

□ 基于人工智能算法的跨尺度计算与材料优化设计；

□ 催化产氢过程的第一性原理计算

■ Research  Interest

□ Atomic simulation of plastic  deformation mechanism of metal  materials;

□ Cross-scale simulation of  hydrogen embrittlement mechanism  and mechanical behaviors of  high-strength steel;

□ Cross-scale calculation and  material optimization design  based on artificial intelligence  algorithm;

□ First-principles calculation  of catalytic hydrogen production  process

■ 主讲课程

1．人工智能通识课；

■ 社会兼职

□Rare metals期刊青年编委

■ 荣誉奖励

■ 科研工作

□2026年01月至2029年12月，国家自然科学基金面上项目，高熵合金间隙原子强韧化机制的跨尺度模拟与调控策略研究，50万，主持

□2026年01月至2028年12月，广东省国际合作项目，航空用钛合金热氢处理相变机制研究与关键技术开发，50万，主持

□2026年01月至2028年12月，广东省面上项目，高熵合金间隙原子强韧化机制的跨尺度模拟与调控策略研究，10万，主持

□2026年01月至2028年12月，深圳市面上项目，医用Ti-Nb-O合金超弹性性能调控机制研究与工艺优化，30万，主持

□2022年01月至2024年12月，国家自然科学基金青年项目，基于第一性原理计算的 FeCoNiCr 系高熵合金氢脆机理研究，30万，主持

□2022年11月至2025年10月，国家重点研发计划“先进结构与复合材料专项“，超高强钢服役过程跨尺度计算和高通量评价技术，300万，参与

.

■代表性成果（论文和专利）

1. Zhou, X.-Y.; Zhu, J.-H.; Wu, Y.; Yang, X.-S.; Lookman, T.; Wu, H.-H., Machine learning assisted design of FeCoNiCrMn high-entropy alloys with ultra-low hydrogen diffusion coefficients. Acta Mater. 2022, 224, 117535.

2. Zhou, X.-Y.; Zhu, J.-H.; Wu, H.-H.; Yang, X.-S.; Wang, S.; Mao, X., Unveiling the role of hydrogen on the creep behaviors of nanograined α-Fe via molecular dynamics simulations. Int. J. Hydrogen Energy 2021, 46 (14), 9613-9629.

3. Zhou, X.-Y.; Zhu, J.-H.; Wu, H.-H., Molecular dynamics studies of the grain-size dependent hydrogen diffusion coefficient of nanograined Fe. Int. J. Hydrogen Energy 2020, 46 (7), 5842-5851.

4. Zhou, X.-Y.; Yang, X.-S.; Zhu, J.-H.; Xing, F., Atomistic simulation study of the grain-size effect on hydrogen embrittlement of nanograined Fe. Int. J. Hydrogen Energy 2020, 45 (4), 3294-3306.

5. Zhou, X.-Y.; Wu, H.-H.; Zhu, J.-H.; Li, B.; Wu, Y., Plastic deformation mechanism in crystal-glass high entropy alloy composites studied via molecular dynamics simulations. Compos. Commun. 2021, 24, 100658.

6. Zhou, X.-Y.; Wu, H.-H.; Zhou, M.; Wang, L.; Lookman, T.; Mao, X., Enhanced hydrogen embrittlement resistance of FeCoNiCrMn multi-principal element alloys via local chemical ordering and grain boundary segregation. Acta Mater. 2025, 296, 121209.

7. Zhou, X.-Y.; Wu, H.-H.; Zhang, J.; Ye, S.; Lookman, T.; Mao, X., Unveiling the mechanism of carbon ordering and martensite tetragonality in Fe–C alloys via deep-potential molecular dynamics simulations. J. Mater. Sci. Technol. 2025, 223, 91-103.

8. Zhou, X.-Y.; Wu, H.-H.; Wu, Y.; Liu, X.; Peng, X.; Hou, S.; Lu, Z., Formation and strengthening mechanism of ordered interstitial complexes in multi-principle element alloys. Acta Mater. 2024, 281, 120364.

9. Zhou, X.-Y.; Ren, H.; Huang, B.-L.; Zhang, T.-Y., Surface-induced size-dependent ultimate tensile strength of thin films. Phys. Lett. A 2015, 379 (5), 471-481.

10. Zhou, X.-Y.; Lu, W.; Peng, X.; Zhuang, X.; Wang, M.; Yang, X.-S.; Ye, S.; Wu, H.-H., Dissecting the phase transformation mechanism of Titanium hydride at atomic scale. Acta Mater. 2025, 288, 120856.

11. Zhou, X.-Y.; Huang, B.-L.; Zhang, T.-Y., Size- and temperature-dependent Young's modulus and size-dependent thermal expansion coefficient of thin films. Phys. Chem. Chem. Phys. 2016, 18 (31), 21508-21517.

12. Zhou, X. Y.; Ren, H.; Huang, B. L.; Zhang, T. Y., Size-dependent elastic properties of thin films: surface anisotropy and surface bonding. Science China 2014, 57 (4), 680-691.

13. Zhou, X.; Fu, H.; Zhu, J.-H.; Yang, X.-S., Atomistic simulations of the surface severe plastic deformation-induced grain refinement in polycrystalline magnesium: The effect of processing parameters. J. Magnes. Alloy 2022, 10 (5), 1242-1255.

14. Zhou, M.; Pan, K.-M.; Zhou, X.-Y.; Ye, S.; Du, S.; Wu, H.-H., Surface Wear Behavior of Nanograined NbMoTaW Refractory High-Entropy Alloys via Nano-scratching Simulations. Acta Metall. Sin. Engl. 2025, 38 (6), 946-960.

15. Zhang, Z.; Xu, H.; Zhou, X.; Guo, T.; Pang, X.; Volinsky, A. A., Deformation Mechanisms of NiP/Ni Composite Coatings on Ductile Substrates. Coatings 2021, 11 (7).

16. Zhang, X.; Bai, P.; Wang, F.; Zhao, H.; Zhou, X.; Wang, S.; Gao, J.; Zhang, C.; Wu, H.-H.; Mao, X., Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloys. J. Mater. Res. Technol. 2025, 36, 3289-3297.

17. Xu, H.; Zhou, X.-Y.; Qiu, J.; Guo, T.; Gao, K.; Volinsky, A. A.; Pang, X., Effects of highly-textured and untextured polycrystalline layers on deformation mechanisms in amorphous submicron-layered materials. Vacuum 2024, 227, 113447.

18. Wu, H.-H.; Dong, L.-S.; Wang, S.-Z.; Wu, G.-L.; Gao, J.-H.; Yang, X.-S.; Zhou, X.-Y.; Mao, X.-P., Local chemical ordering coordinated thermal stability of nanograined high-entropy alloys. Rare Met. 2023, 42 (5), 1645-1655.

19. Wu, B.; Fu, H.; Zhou, X.; Qian, L.; Luo, J.; Zhu, J.; Lee, W. B.; Yang, X.-S., Severe plastic deformation-produced gradient nanostructured copper with a strengthening-softening transition. Mater. Sci. Eng. A 2021, 819, 141495.

20. Wang, F.; Zhang, X.; Zhang, C.; Zhou, X.; Wu, H.-H.; Dong, L.; Zhu, Y.; Wang, S.; Gao, J.; Zhao, H.; Huang, Y.; Lu, H.; Guo, A.; Mao, X., Effect of alloy element on hydrogen-induced grain boundary embrittlement in BCC iron. J. Mater. Res. Technol. 2024, (33), 9439-9447.

21. Wang, F.; Wu, H.-H.; Zhou, X.; Bai, P.; Shang, C.; Wang, S.; Wu, G.; Gao, J.; Zhao, H.; Zhang, C.; Mao, X., First-principle study on the segregation and strengthening behavior of solute elements at grain boundary in BCC iron. J. Mater. Sci. Technol. 2024, 189, 247-261.

22. Wang, F.; Wu, H.-H.; Dong, L.; Pan, G.; Zhou, X.; Wang, S.; Guo, R.; Wu, G.; Gao, J.; Dai, F.-Z.; Mao, X., Atomic-scale simulations in multi-component alloys and compounds: A review on advances in interatomic potential. J. Mater. Sci. Technol. 2023, 165, 49-65.

23. Wang, F.; Dong, L.; Wu, H.-H.; Bai, P.; Wang, S.; Wu, G.; Gao, J.; Zhu, J.; Zhou, X.; Mao, X., Enhanced nanocrystalline stability of BCC iron via copper segregation. Progress in Natural Science: Materials International 2023, 33 (2), 185-192.

24. Wang, B.-b.; Zhu, D.-x.; Zhang, C.-l.; Zhou, X.-y.; Wu, H.-h.; Wang, S.-z.; Wu, G.-l.; Gao, J.-h.; Zhao, H.-t.; Mao, X.-p., Influence of typical elements and heat treatment parameters on hardenability in steel: a review. J. Iron Steel Res. Int. 2024.

25. Shang, C.; Zhu, D.; Wu, H.-H.; Bai, P.; Hou, F.; Li, J.; Wang, S.; Wu, G.; Gao, J.; Zhou, X.; Lookman, T.; Mao, X., A quantitative relation for the ductile-brittle transition temperature in pipeline steel. Scripta Mater. 2024, 244, 116023.

26. Qiu, S.; Wang, L.; Wu, H.-H.; Zhou, X.; Wang, H.; Zheng, L.; Shin, K. S.; Wang, J., Twin-induced dynamic recrystallization: an experimental study in single crystal Mg. Acta Mater. 2026, 302, 121661.

27. Qin, Y.; Yu, T.; Deng, S.; Zhou, X.-Y.; Lin, D.; Zhang, Q.; Jin, Z.; Zhang, D.; He, Y.-B.; Qiu, H.-J.; He, L.; Kang, F.; Li, K.; Zhang, T.-Y., RuO2 electronic structure and lattice strain dual engineering for enhanced acidic oxygen evolution reaction performance. Nat. Commun. 2022, 13 (1), 3784.

28. Qin, Y.; Deng, S.; Zhou, X.-Y.; Yan, Z.; He, L.; Li, K.; Zhang, T.-Y., Grain Boundary Oxygen Improving the Acidic Oxygen Evolution Reaction of Zn-RuO2@ZnO. J.Am.Chem.Soc. 2025, 147 (34), 30943-30955.

29. Qin, Y.; Deng, S.; Zhou, X.-Y.; Cao, B.; Ying, Z.; Yan, Z.; Zhong, Z.; He, L.; Li, K.; Zhang, T.-Y., Ferromagnetic Surface Segregation via Stress-Concentration Coupling Boosts the Oxygen Evolution Reaction in RuO2. ACS Nano 2025.

30. Qin, Y.; Cao, B.; Zhou, X.-Y.; Xiao, Z.; Zhou, H.; Zhao, Z.; Weng, Y.; Lv, J.; Liu, Y.; He, Y.-B.; Kang, F.; Li, K.; Zhang, T.-Y., Orthorhombic (Ru, Mn)2O3: A superior electrocatalyst for acidic oxygen evolution reaction. Nano Energy 2023, 115, 108727.

31. Qian, L.; Wu, B.; Fu, H.; Yang, W.; Sun, W.; Zhou, X.-Y.; Chan, K. C.; Yang, X.-S., Atomistic simulations of the enhanced creep resistance and underlying mechanisms of nanograined-nanotwinned copper. Mater. Sci. Eng. A 2022, 855, 143912.

32. Pei, C.; Zhou, X.; Zhu, J.-H.; Su, M.; Wang, Y.; Xing, F., Synergistic effects of a novel method of preparing graphene/polyvinyl alcohol to modify cementitious material. Construction and Building Materials 2020, 258, 119647.

33. Pan, G.; Wang, F.; Shang, C.; Wu, H.; Wu, G.; Gao, J.; Wang, S.; Gao, Z.; Zhou, X.; Mao, X., Advances in machine learning- and artificial intelligence-assisted material design of steels. International Journal of Minerals, Metallurgy and Materials 2023, 30 (6), 1003-1024.

34. Mi, X.; Wang, L.; Zhou, X.; Cheng, J.; Wang, X.; Deng, K.; You, Z.; Shin, K. S., The microstructural evolution and the processing map of extruded Mg-4Al-1Si magnesium alloys. J. Alloys Compd. 2025, 1035, 181431.

35. Li, Z.; Wu, H.; Long, X.; Zhang, T.; Zhou, X., Ultrasonic vibration induced twins strengthening in Fe50Mn30Co10Cr10 metastable high entropy alloy. J. Alloys Compd. 2025, 1043, 184247.

36. Li, X.; Zhu, D.; Pan, K.; Zhou, X.; Zhu, J.; Wang, Y.; Ren, Y.; Wu, H.-H., Identifying key determinants of discharge capacity in ternary cathode materials of lithium-ion batteries. Chin. Chem. Lett. 2024, 109870.

37. Li, K.; Zhou, X.; Nie, A.; Sun, S.; He, Y.-B.; Ren, W.; Li, B.; Kang, F.; Kim, J.-K.; Zhang, T.-Y., Discovering a First-Order Phase Transition in the Li–CeO2 System. Nano Lett. 2017, 17 (2), 1282-1288.

38. Li, B.; Niu, C.-M.; Zhang, T.-L.; Chen, G.-Y.; Zhang, G.; Wang, D.; Zhou, X.-Y.; Zhu, J.-M., Advances of machining techniques for gradient structures in multi-principal-element alloys. Rare Met. 2022, 41 (12), 4015-4026.

39. Jiao, M.; Lei, Z.; Wu, Y.; Du, J.; Zhou, X.-Y.; Li, W.; Yuan, X.; Liu, X.; Zhu, X.; Wang, S.; Zhu, H.; Cao, P.; Liu, X.; Zhang, X.; Wang, H.; Jiang, S.; Lu, Z., Manipulating the ordered oxygen complexes to achieve high strength and ductility in medium-entropy alloys. Nat. Commun. 2023, 14 (1), 806.

40. He, J.; Wang, L.; Wu, H.-H.; Li, Y.; Xia, D.; Wang, H.; Zhou, X.; Zhang, Q.; Yang, Q.; Shin, K. S., A novel continues multi-shear extrusion process on the microstructure and mechanical property evolution of AZ31 magnesium alloys. J. Mater. Res. Technol. 2024, 28, 176-198.

41. Ge, Z.; Wang, L.; He, J.; Wang, H.; She, J.; Zhou, X.; Zheng, L.; Shin, K. S., Microstructure, texture, and mechanical properties of Mg–4Zn–1Mn–xCa alloys and the fabrication of biomedical Mg thin-walled micro-tubes. Journal of Materials Science 2023, 58 (47), 17930-17949.

42. Fu, H.; Zhou, X.; Wu, B.; Qian, L.; Yang, X.-S., Atomic-scale dissecting the formation mechanism of gradient nanostructured layer on Mg alloy processed by a novel high-speed machining technique. J. Mater. Sci. Technol. 2021, 82, 227-238.

43. Dong, L.; Wang, S.; Wu, G.; Gao, J.; Zhou, X.; Wu, H.-H.; Mao, X., Application of atomic simulation for studying hydrogen embrittlement phenomena and mechanism in iron-based alloys. Int. J. Hydrogen Energy 2022, 47 (46), 20288-20309.

44. Dong, L.; Wang, F.; Wu, H.-H.; Gao, M.; Bai, P.; Wang, S.; Wu, G.; Gao, J.; Zhou, X.; Mao, X., Enhanced Hydrogen Embrittlement Resistance via Cr Segregation in Nanocrystalline Fe–Cr Alloys. Acta Metall. Sin. Engl. 2023, 36 (12), 1925-1935.

45. Zhu, Y.; Qiao, H.; Zhou, X.; Zhang, R.; Wang, H.; Sun, S.; Zhang, T.-Y., Charge-dependent deposition/dissolution of Cu on different faces in a non-corrosive electrolyte: An insight from multiscale calculations. Surface Science 2022, 725, 122160.

46. Zhu, Y.; Jiang, T.; Wu, H.; Hou, F.; Zhou, X.; Wang, F.; Wang, S.; Gao, J.; Zhao, H.; Zhang, C., Recent advances and perspectives in interface engineering of high-performance alloys. International Journal of Minerals, Metallurgy and Materials 2026, 33 (1), 53-67.

47. Zhu, D.-X.; Pan, K.-M.; Wu, Y.; Zhou, X.-Y.; Li, X.-Y.; Ren, Y.-P.; Shi, S.-R.; Yu, H.; Wei, S.-Z.; Wu, H.-H.; Yang, X.-S., Improved material descriptors for bulk modulus in intermetallic compounds via machine learning. Rare Met. 2023, 42 (7), 2396-2405.

■其他