基本情况

张瑞丰，男，教授，博士生导师，国家高层次青年人才。2013年担任美国爱荷华州立大学材料系研究助理教授；2009年获得美国洛斯阿拉莫斯国家实验室“Los Alamos Director’s Postdoctoral Fellow”荣誉；2005年获得德国洪堡基金会“Alexander von Humboldt Fellow”荣誉。以材料基因工程和智能设计的核心技术突破为支撑，深耕基础研究，自主研发“材料建模、模拟、分析和可视化集成化平台SPaMD”，“合金热力学数据库与计算平台MiedCalc”，材料数据库、模型库和算法库开放共享平台MICID等。提出了多功能柔性MXene材料理性设计原则，提升了柔性材料力化耦合理论设计前沿地位；构建了强固体材料多维力学参量高通量设计方案，指导设计出多种新型超硬/高强材料；发展了多选区内应力平衡和复杂界面自动建模等关键技术，揭示了异质界面微观力学机制及极端服役行为，奠定了材料微纳力学领域的重要基础。迄今在诸如Chem Rev、Phys Rep.、PNAS、PRL、Adv. Mater.、Adv. Funct. Mater.、Acta Mater.、Phys. Rev. B、Inter. J. Plasticity、Corr. Sci.等著名学术期刊发表论文180余篇，被SCI引用6000多次，H因子=50；获批16项软件著作权，授权13项国家发明专利。担任Modelling and Simulation in Materials Science and Engineering等国际期刊编委。

主讲课程

研究生课程：《材料电子结构计算和原子尺度模拟》

本科生课程：《材料热力学基础》、《计算材料学》、《材料概论》

研究方向

（1）计算材料学、材料信息学、材料智能设计

（2）材料强韧化、晶体缺陷和界面塑性、电催化和储能

（3）硬质材料、高强合金、新能源材料

教学研究成果

教材和专著：

《计算材料学：电子结构与原子行为》，高等教育出版社

《C++语言程序设计（第3版）》系列教材，清华大学出版社

代表性论文：

[1] Z. H. Fu, N. Wang, D. Legut, C. Si, Q. F. Zhang, S. Y. Du, T. C. Germann, J. S. Francisco* and R. F. Zhang*. Rational design of flexible two-dimensional MXenes with multiple functionalities, Chemical Reviews 119, 11980-12031(2019)

[2] R. F. Zhang*, S. H. Zhang, Y. Q. Guo, Z. H. Fu, D. Legut, T. C. Germann, and S. Veprek. First principles design of strong solids: approaches and applications, Physics Reports 826, 1-49 (2019).

[3] H. Zhang, Z. H. Fu, R. F. Zhang*, Q. F. Zhang, H. Z. Tian, D. Legut, T. C. Germann, Y. Q. Guo, S. Y. Du, and J. S. Francisco*. Designing flexible two-dimensional transition metal carbides with strain-controllable lithium storage, PNAS114, E11082 (2017).

[4] B. Wei, Z. H. Fu, D. Legut, T. C. Germann, S. Y. Du, H. J. Zhang, J. S. Francisco, and R. F. Zhang*. Rational Design of Highly Stable and Active MXene-Based Bifunctional ORR/OER Double-atom Catalysts, Advanced Materials 33, 2102595 (2021).

[5] Y. Z. Li, B. Wei, M. H. Zhu, J. C. Chen, Q. K. Jiang, B. Yang, Y. Hou, L. C. Lei, Z. J. Li*, R. F. Zhang*, and Y. Y. Lu*. Synergistic effect of atomically dispersed Ni-Zn pair sites for enhanced CO2 electroreduction, Advanced Materials 33, 2102212 (2021).

[6] T. Ma, H. Li, X. Zheng, S. M. Wang, X. C. Wang, H. Z. Zhao, S. B. Han, R. F. Zhang*, P. W. Zhu*, Y. W. Long, J. G. Cheng, Y. M. Ma, Y. S. Zhao, C. Q. Jin, and X. H. Yu*. Ultrastrong Boron Frameworks in ZrB12: A Highway for Electron Conducting, Advanced Materials 29, 1604003 (2017).

[7] R. F. Zhang, D. Legut, Z. J. Lin,Y. S. Zhao, H. K. Mao and S. Veprek. Stability and strength of transition-metal tetraborides and triborides, Physical Review Letters 108, 255502 (2012).

[8] R. F. Zhang, A. S. Argon and S. Veprek. Friedel oscillations are limiting the strength of superhard nanocomposites and heterostructures, Physical Review Letters 102, 015503 (1-4) (2009).

[9] Y. Shi, B. Wei, D. Legut, S. Y. Du, J. Francisco, and R. F. Zhang*. Highly stable single atom modified MXenes as cathode-active bifunctional Li-CO2 battery, Advanced Functional Materials 32, 2210218 (2022).

[10] Y. T. Gu, B. Wei, D. Legut, Z. H. Fu, S. Y. Du, H. J. Zhang, J. S. Francisco, and R. F. Zhang*. Single atom-modified hybrid transition metal carbides as efficient hydrogen evolution reaction catalysts, Advanced Functional Materials 31, 2104285 (2021).

[11] S. Chen, Z. H. Fu, H. Zhang, D. Legut, T. C. Germann, Q. F. Zhang, S. Y. Du, J. S. Francisco, and R. F. Zhang*. Surface Electrochemical Stability and Strain-tunable Lithium Storage of Highly Flexible 2D Transition Metal Carbides, Advanced Functional Materials 28, 1804867 (2018).

[12] X. F. Kong, N. Gao, I. J. Beyerlein, B. N. Yao, S. J. Zheng*, X. L. Ma, D. Legut, T. C. Germann, H. J. Zhang and R. F. Zhang*. Interface facilitated transformation of voids directly into stacking fault tetrahedra, Acta Materialia 188, 1 (2020).

[13] Y. Q. Guo, S. H. Zhang, I. J. Beyerlein, D. Legut, S. L. Shang, Z. K. Liu, and R. F. Zhang*. Synergetic effect of solute and strain on strengthening of Zn-based and Mg-based alloys, Acta Materialia 181, 423 (2019).

[14] X. F. Kong, I. J. Beyerlein, Z. R. Liu, B. N. Yao, D. Legut, T. C. Germann, and R. F. Zhang*. Stronger and more failure resistant with three dimensional serrated bimetal interfaces, Acta Materialia 166, 231 (2019).

[15] Y. Y. Xiao, X. F. Kong, B. N. Yao, D. Legut, T. C. Germann, and R. F. Zhang*. Atomistic insight into the dislocation nucleation at crystalline/crystalline and crystalline/amorphous interfaces, Acta Materialia 162, 255 (2019).

[16] X. Y. Chen, X. F. Kong, A. Misra, D. Legut, B. N. Yao, T. C. Germann, and R. F. Zhang*. Effect of dynamic evolution of misfit dislocation patterns on the dislocation nucleation and shear sliding at semi-coherent bimetal interfaces, Acta Materialia 143, 107 (2018).

[17] R. F. Zhang*, I. J. Beyerlein, S. J. Zheng, S. H. Zhang, A. Stukowski, and T. C. Germann. Manipulating dislocation nucleation and shear resistance of bimetal interfaces by various atomic steps, Acta Materialia 113, 194 (2016).

[18] R. F. Zhang*, T. C. Germann*, X. Y. Liu, J. Wang and I. J. Beyerlein*. Layer size effect on the shock compression behavior of fcc-bcc nanolaminates, Acta Materialia 79, 74 (2014).

[19] R. F. Zhang, J. Wang, I. J. Beyerlein, A. Misra and T. C. Germann. Atomic-scale study of nucleation of dislocations from fcc/bcc interfaces, Acta Materialia 60, 2855 (2012).

[20] R. F. Zhang* and S.Veprek. Deformation paths and atomistic mechanism of B4 to B1 phase transformation in aluminium nitride, Acta Materialia 57, 2259-2265 (2009).

[21] R. F. Zhang, S. H. Sheng and S.Veprek. Stability of Ti-B-N solid solutions and the formation of nc-TiN/a-BN nanocomposites studied by combined ab initio and thermodynamic calculations, Acta Materialia 56, 4440-4449 (2008).

[22] R. F. Zhang and S.Veprek. Phase stabilities and spinodal decomposition in Cr1-xAlxN system studied by ab initioLDA and thermodynamic modeling: Comparison with Ti1-xAlxN and TiN/Si3N4 system, Acta Materialia 55, 4615 (2007).

[23] Y. Zhang, Z. R. Liu, B. N. Yao, D. Legut, and R. F. Zhang*. Atomic insights into interface-mediated plasticity and engineering principles for heterogenuous serrated interfaces, International Journal of Plasticity 160, 103498 (2023).

[24] X. P. Shen, B. N. Yao, Z. R. Liu, D. Legut, H. J. Zhang* and R. F. Zhang*. Mechanistic insights into interface-facilitated dislocation nucleation and phase transformation at semicoherent bimetal interfaces, International Journal of Plasticity 146, 103105 (2021).

[25] C. J. Wang, B. N. Yao, Z. R. Liu, X. F. Kong, D. Legut, R. F. Zhang*, and Y. Deng*. Effect of solutes on dislocation nucleation and interface sliding of bimetal semi-coherent interface, International Journal of Plasticity 131, 102725 (2020).

[26] Q. Zhang, C. J. Wang, H. J. Zhang, Z. R. Liu, S. H. Zhang, D. Legut, S. Veprek and R. F. Zhang*. Designing ultrahard nanostructured diamond through internal defects and interface engineering at different length scales, Carbon170, 394 (2020).

[27] S. H. Zhang, D. Legut, Z. H. Fu, T. C. Germann, and R. F. Zhang*. High-throughput screening for novel superhard carbon and boron nitride allotropes with superior stiffness and strength, Carbon 137, 156 (2018).

[28] T. F. Xu, Z. R. Liu, D. Legut, and R. F. Zhang*. Interface mediated sp2-sp3 interconversion in ultrahard diamond-graphite nanocomposites with supertoughness, Physical Review B 110, 134107 (2024).

[29] T. F. Xu, Z. Y. Zheng, D. Legut, and R. F. Zhang*. Dinitrogen bonding induced metal-semiconductor transition leading to ultrastiffening in boron subnitride, Physical Review B 108, L180103 (2023).

[30] B. N. Yao, Z. R. Liu, D. Legut, and R. F. Zhang*. Hybrid potential model with high feasibility and flexibility for metallic and covalent solids, Physical Review B 108, 024108 (2023).

[31] T. F. Xu, Z. R. Liu, D. Legut, and R. F. Zhang *. Anomalous bond softening mediated by strain-induced Friedel-like oscillations in BC2N superlattice, Physical Review B 106, L060101 (2022).

[32] S. H. Zhang, D. Legut, T. C. Germann, S. Veprek, H. J. Zhang and R. F. Zhang*. Plastic flow between nanometer-spaced planar defects in nanostructured diamond and boron nitride, Physical Review B 101, 014104 (2020).

[33] S. H. Zhang, I. J. Beyerlein, D. Legut, Z. H. Fu, Z. Zhang, S. L. Shang, Z. K. Liu, T. C. Germann, and R. F. Zhang*. First principles investigation of strain effects on the stacking fault energies, dislocation core structure and Peierls stress of magnesium and its alloys, Physical Review B 95, 224106 (2017).

[34] Z. H. Fu, Q. F. Zhang*, C. Si, D. Legut, T. C. Germann, T. Lookman, S. Y. Du, J. S. Francisco, and R. F. Zhang*. Stabilization and strengthening effects of functional groups in two-dimensional titanium carbide, Physical Review B 94, 104103 (2016).

[35] Z. J. He, Z. H. Fu, D. Legut, X. H. Yu, Q. F. Zhang, V. I. Ivashchenko, S. Veprek, and R. F. Zhang*. Tuning lattice stability and mechanical strength of ultraincompressible tungsten carbides by varying the stacking sequence, Physical Review B 93, 184104 (2016).

[36] R. F. Zhang*, D. Legut, Z. H. Fu, S. Veprek, Q. F. Zhang, and H. K. Mao. Mechanical strength and electronic instability in ultra-incompressible platinum dinitrides, Physical Review B 92, 104107 (2015).

[37] R. F. Zhang*, D. Legut, X. D. Wen, S. Veprek, K. Rajan, T. Lookman, H. K. Mao, and Y. S. Zhao. Bond deformation paths and electronic instabilities of ultra-Incompressible transition metal diboride: Case study of OsB2 and IrB2, Physical Review B 90, 094115 (2014).

[38] R. F. Zhang*, Z. J. Lin* and S. Veprek*. Anisotropic ideal strengths of superhard monoclinic and tetragonal carbon and their electronic origin, Physical Review B 83, 155452 (2011).

[39] R. F. Zhang, Z. J. Lin, Y. S. Zhao and S. Veprek. Superhard materials with low elastic moduli: Three-dimensional covalent bonding as the origin of superhardness in B6O, Physical Review B 83, 092101 (2011).

[40] R. F. Zhang, Z. J. Lin, Ho-Kwang Mao and Y. S. Zhao. Thermodynamic stability and unusual strength of ultraincompressible rhenium nitrides, Physical Review B 83, 060101 (R) (2011).

[41] R. F. Zhang, D. Legut, R. Niewa, A. S. Argon and S. Veprek. Shear-induced structural transformation and plasticity in ultra-incompressible ReB2 limit its hardness, Physical Review B 82, 104104(2010).

[42] R. F. Zhang, A. S. Argon and S. Veprek. Understanding why the thinnest SiNx interface in transition metal nitrides is stronger than ideal, bulk crystal, Physical Review B 81, 245418 (2010).

[43] R. F. Zhang*, S. Veprek and A. S. Argon. Effect of nanometer-sized grains on the superhardness of c-BC5: A first-principles study, Physical Review B 80, 233401(2009).

[44] R. F. Zhang, A. S. Argon and S. Veprek. Electronic structure, stability, and mechanism of the de-cohesion and shear of interfaces in superhard nanocomposites and heterostructures, Physical Review B 79, 245426 (2009).

[45] R. F. Zhang*, S.Veprek and A. S. Argon. Anisotropic ideal strengths and chemical bonding of wurtzite BN in comparison to zincblende BN, Physical Review B 77, 172103 (2008).

[46] R. F. Zhang and S.Veprek. Crystalline-to-amorphous transition in Ti1-xSixN solid solution system and stability of fccSiN studied by combined ab initio density functional theory and thermodynamic calculations, Physical Review B 76, 174105 (2007).

[47] R. F. Zhang*, S. H. Sheng and S. Veprek. Mechanism of the B3 to B1 transformation in cubic AlN under uniaxial stress, Physical Review B 76, 075208 (2007).

[48] R. F. Zhang, Y. Kong and B. X. Liu. Construction of n-body potentials of the hcp-bcc metal systems under the framework of embedded atom method, Physical Review B 71, 214102 (1-8) (2005).

[49] B. Wei, D. Legut, S. Sun, H. T. Wang, Z. Z. Shi, H. J. Zhang, and R. F. Zhang*. Synergistic effect of solute and strain on the electrochemical degradation in representative Zn-based and Mg-based alloys, Corrosion Science 188, 109539 (2021).