张华磊 - 西安交通大学 - 前沿科学技术研究院

个人简介

张华磊教授博士生导师金属材料强度全国重点实验室固定成员于2011年获得瑞典皇家理工学院(Royal Institute of Technology, KTH)博士学位，师从Levente Vitos 教授和Börje Johansson教授（瑞典皇家科学院、工程院两院院士，诺贝尔奖评委会前Chair）。致力于人工智能赋能材料研究，结合量子力学计算方法和机器学习，开展金属材料的理论设计与性能调控研究。通过“从无到有”的合金设计，探索设计高性能金属材料的“捷径”，构建预测高熵合金成分-结构-性能的普适模型，实现“材料按需设计”，提升新材料研发效率，为新材料的研发提供新思路和新方法。迄今为止，已在金属领域权威期刊Acta Materialia等SCI国际期刊正式发表论文50余篇，撰写2章专著章节，发表2篇会议论文。主持3项国家自然科学基金和1项留学回国基金等，作为研究骨干参与973项目和国家重点研发计划等。

研究领域

聚焦人工智能(Artificial Intelligence，AI)赋能材料研究，开展金属材料的理论设计与性能优化研究。针对多主元高熵合金成分空间庞大、传统的“试错法”实验周期长且成本高、常规计算方法难以处理多主元合金的难题，结合第一性原理计算方法和机器学习，通过优化合金成分空间与调控性能，开发出兼具轻质、高强和高韧的高性能合金，降低实验成本并加速新材料的研发进程。

近期论文

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1. Y. L. Fu, P. J. Liu, H. L. Zhang*, X. D. Ding*, J. Sun, Accelerated design of high-strength refractory multi-principal element alloys from first-principles calculations, Journal of Materials Research and Technology, 36, 10520-10534 (2025). 2. X. G. Xu, H. L. Zhang*, X. D. Ding*, J. Sun, Rapid design and screen high strength U-based high-entropy alloys from first-principles calculations, Journal of Materials Science & Technology 179, 174-186 (2024). 3. P. J. Liu, H. L. Zhang*, Q. M. Hu, X. D. Ding, J. Sun, First-principles design of high strength refractory high-entropy alloys, Journal of Materials Research and Technology, 29, 3420-3436 (2024). 4. P. J. Liu, H. L. Zhang*, Q. M. Hu, X. D. Ding, J. Sun, Alloying Effect on Elastic and Mechanical Properties of Refractory Medium-Entropy Alloys from First-Principles Calculations, Journal of Physical Chemistry C 127, 11353-11368 (2023). 5. H. L. Fang, X. G. Xu, H.L. Zhang*, Q. Y. Sun*, J. Sun, Alloying Effect on Transformation Strain and Martensitic Transformation Temperature of Ti-Based Alloys from Ab Initio Calculations, Materials 16, 6069 (2023). 6. S. Lu*, X. Sun*, X. H. An, W. Li, Y. J. Chen, H. L. Zhang*, L. Vitos, Theory of transformation-mediated twinning, PNAS Nexus 2, 1-11 (2022). 7. X. Sun, H. L. Zhang*, D. Wang, Q. Y. Sun, S. S Zhao, S. Lu., W. Li, L.Vitos, X. D. Ding, Large recoverable strain with suitable transition temperature in TiNb-based multicomponent shape memory alloys: first-principles calculations, Acta Materialia 221, 117366 (2021). 8. H. L. Zhang*, D. D. Cai, X. Sun, H. Huang, S. Lu, Y. Z. Wang, Q. M. Hu, L. Vitos, X. D. Ding*, Solid solution strengthening of high-entropy alloys from first-principles study, Journal of Materials Science & Technology, 121, 105-116 (2022) . 9. X. Sun, S. Lu*, R. W. Xie, X. H. An, W. Li, T. L. Zhang, C. X. Liang, X. D. Ding, Y. Z. Wang, H. L. Zhang*, L. Vitos, Can experiment determine the stacking fault energy of metastable alloys? Materials & Design 199, 109396 (2021). 10. X. Sun, H. L. Zhang*, W. Li, X. D. Ding, Y. Z. Wang, L. Vitos, Generalized Stacking Fault energy of Al-doped CrMnFeCoNi high-entropy alloy. Nanomaterials 10, 59 (2020). 11. H. L. Zhang*, X. Sun*, S. Lu, Z. H. Dong, X. D. Ding, Y. Z. Wang, L. Vitos. Elastic properties of AlxCrMnFeCoNi (0 ≤ x ≤ 5) high-entropy alloys from ab initio theory. Acta Materialia 155, 12-22 (2018). 12. X. Sun, H. L. Zhang*, S. Lu, X. D. Ding, Y. Z. Wang, L. Vitos, Phase selection rule for Al-doped CrMnFeCoNi high-entropy alloys from first-principles, Acta Materialia 140, 366-374 (2017). 13. H. L. Zhang*, X. Q. Li, S. Schönecker, H. Jesperson, B. Johansson, L. Vitos*, Anomalous elastic hardening in Fe-Co alloys at high temperature, Physical Review B 89, 184107 (2014). 14. H. L. Zhang*, M. P. J. Punkkinen, B. Johansson, L. Vitos, Elastic parameters of paramagnetic iron-based alloys from first-principles calculations, Physical Review B 85, 054107 (2012). 15. H. L. Zhang*, B. Johansson, R. Ahuja, L. Vitos, First-principles study of solid-solution hardening in steel alloys, Computational Materials Science 55, 269 (2012). 16. H. L. Zhang*, B. Johansson, L. Vitos*, Density-functional study of paramagnetic iron, Physical Review B 84, 140411 (R) (Editor’s Suggestion) (2011). 17. H. L. Zhang, M. P. J. Punkkinen, B. Johansson, S. Hertzman, L. Vitos, Single-crystal elastic constants of ferromagnetic bcc Fe-based random alloys from first-principles theory, Physical Review B 81, 184105 (2010). 18. H. L. Zhang, S. Lu, M. P. J. Punkkinen*, Q. M. Hu, B. Johansson, L. Vitos, Static equation of state of bcc iron, Physical Review B 82, 132409 (2010). 19. H. L. Zhang, B. Johansson, L. Vitos, Ab initio calculations of elastic properties of bcc Fe-Mg and Fe-Cr random alloys, Physical Review B 79, 224201 (2009).