张瑞丰 职称职务：教授
所在单位：材料物理与化学
联系电话：
电子邮箱：zrf@buaa.edu.cn 或 zrfbuaa@gmail.com
办公地点：新主楼H座10层1003房间



基本情况
现任北京航空航天大学材料学院卓越教授。2013年担任美国爱荷华州立大学材料系研究助理教授（Faculty）；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（比例6/300）；2005年获得德国洪堡基金会“Alexander von Humboldt Fellow”荣誉；2005年获得清华大学“优秀博士论文一等奖”和“优秀博士毕业生”称号。主要围绕结构材料强韧化设计和物性模拟，在高强高韧合金、硬质合金涂层材料和柔性新能源材料等领域展开深入系统研究。迄今在诸如PNAS、PRL、Acta Mater、Adv Mater、Nano Lett、Adv Energy Mater、Adv Funct Mater、Chem Mater、J Mater Chem A、Phys Rev B、Appl Phys Lett、Compt Phys Comm、Carbon、J Phys Chem C、PCCP、APL Mater、Scr Mater、Sci Rep等著名学术期刊发表论文100余篇，被SCI引用2500多次，H因子=31。学术报告40余次（主题或邀请报告30余次）。主页：https://sites.google.com/site/zrfbuaa




主讲课程
本科生课程《计算材料学》、研究生课程《材料电子结构计算和原子尺度模拟》




研究方向
材料设计、计算和模拟；材料强韧化；界面物理和力学；晶体缺陷和塑性机理；硬质合金涂层材料；合金和金属基复合材料；柔性新能源材料。
理论研究工作包括：应用组合学方法和高通量计算技术设计新型材料和预测新性能；应用多尺度计算模拟技术研究材料的结构稳定性、强韧化力学性能、磁学、动力学、电化学等性质和极端服役失效行为。实验研究工作涉及：通过快速凝固技术、物理气相沉积技术、离子束混合技术和高温高压合成技术等制备各种稳态和亚稳态结构材料；应用高分辨透射电镜、X射线衍射等技术表征材料的显微结构等。涉及的材料系统包括金属多层膜、轻质合金、高温合金、过渡族金属硼化物、碳化物、氮化物和氧化物等硬质超硬涂层材料。



研究成果
现负责国家重点研发计划课题1项和承担课题子任务1项，主持国家自然科学基金项目2项，北航青年拔尖人才计划项目。编写“Miedema Calculator”热力学计算软件（>300 注册用户），“SPaMD Simulator”功能化可扩展并行分子动力学模拟程序，“Informatics Analyzer”材料基因解析软件，“CUPLEVO”结构原型库和进化操作程序包，“Atomistic Analyzer: AACSD”晶体取向和缺陷分析程序，“Atomistic Analyzer: AADIS”位错结构和特征分析程序，“AELAS calculator”高通量弹性自动处理程序，“ADAIS calculator”高通量第一原理强度计算程序，“PNADIS”位错结构和滑移阻力半离散变分解析程序，“SPaSM Simulator”大尺度非平衡冲击波模拟程序（合作）等。合著《C++语言程序设计》系列教材(2008年清华大学优秀教材特等奖)。
部分代表性论文如下：
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 (2009).
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).
T. Ma, H. Li, X. Zheng, S. M. Wang, X. C. Wang, H. Z. Zhao, S. B. Han, R. F. Zhang*, et al. Ultrastrong Boron Frameworks in ZrB12: A Highway for Electron Conducting, Advanced Materials 29, ** (2017).
H. Zhang, Z. H. Fu, R. F. Zhang*, et al. Designing flexible two-dimensional transition metal carbides with strain-controllable lithium storage, PNAS 114, E11082 (2017).
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 (2018).
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).
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 10, ** (2018).
S. Xiang, Z. Fu, W. Li*, Y. Wei, J. Liu, H. Liu, L. Zhu, R. F. Zhang*, and H. Chen*. Highly Air-stable Carbon-based α-CsPbI3 Perovskite Solar Cells with Broadened Optical Spectrum. ACS Energy Letters 3, 1824 (2018).
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).
Z. H. Fu, H. Zhang, C. Si, D. Legut, T. C. Germann, Q. F. Zhang, S. Y. Du, J. S. Francisco, and R. F. Zhang*. Mechanistic quantification of thermodynamic stability and mechanical strength for two-dimensional transition metal carbides, The Journal of Physical Chemistry C 122, 4710 (2018).
Z. H. Fu, D. Legut, T. C. Germann, C. Si, S. Y. Du, J. S. Francisco, and R. F. Zhang*. Phonon mediated stabilization and softening of 2D transition metal carbides: case studies of Ti2CO2 and Mo2CO2, Physical Chemistry Chemical Physics 20, 14608 (2018).
P. K. Li, J. G. Zhu, A. Handoko, R. F. Zhang, H. T. Wang, D. Legut, X. Wen, Z. H. Fu, Z. W. Seh, and Q. F. Zhang, High-throughput theoretical optimization of the hydrogen evolution reaction on MXenes by transition metal modification, Journal of Materials Chemistry A 6, 4271 (2018).
Z. R. Liu and R. F. Zhang*. AACSD: An atomistic analyzer for crystal structure and defects, Computer Physics Communications 222, 229 (2018).
S. H. Zhang and R. F. Zhang*. AELAS: Automatic elastic property derivations via high throughput first-principles computations, Computer Physics Communications 220, 403 (2017).
R. F. Zhang*, X. F. Kong, H. T. Wang, S. H. Zhang, D. Legut, S. H. Sheng, S. Srinivasan, K. Rajan, and T. C. Germann. An informatics guided classification of miscible and immiscible binary alloy systems, Scientific Reports 7, 9577 (2017).
H. Z. Tian, Z. W. Seh, K. Yan, Z. H. Fu, Y. Y. Lu, R. F. Zhang, D. Legut, Y. Cui, and Q. F. Zhang. Theoretical Investigation of 2D Layered Materials as Protective Films for Lithium and Sodium Metal Anodes, Advanced Energy Materials 7, ** (2017).
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).
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).
R. F. Zhang*, S. H. Zhang, Z. J. He, J. Jing, and S. H. Sheng. Miedema Calculator: A thermodynamic platform for predicting formation enthalpies of alloys within framework of Miedema’s theory, Computer Physics Communications 209, 58 (2016).
S. J. Zheng, R. F. Zhang*, R. Huang, X. L. Ma, T. Taniguchi, Y. Ikuhara, and I. J. Beyerlein. Structure and energetics of nanotwins in cubic boron nitrides, Applied Physics Letters 109, 081901 (2016).
K. Liu, R. F. Zhang*, I. J. Beyerlein, X. Y. Chen, H. Yang, and T. C. Germann. Cooperative dissociations of misfit dislocations at bimetal interfaces, APL Materials 4, 111101 (2016).
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).
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).
R. F. Zhang*, X. D. Wen, D. Legut, Z. H. Fu, S. Veprek, E. Zurek, and H. K. Mao. Crystal Field Splitting is Limiting the Stability and Strength of Ultraincompressible Orthorhombic Transition Metal Tetraborides, Scientific Reports 6, 23088 (2016).
Z. Zhang, R. F. Zhang*, D. Legut, D. Q. Li, Z. H. Fu, S. H. Zhang, and H. B. Guo. Pinning effect of reactive elements on the adhesion energy and adhesive strength of incoherent NiAl/Al2O3 interfaces, Physical Chemistry Chemical Physics 18, 22864 (2016).
X. Meng, R. F. Zhang, Z. H. Fu, and Q. F. Zhang. Domain-dependent Electronic Structure and Optical Absorption Property in Hybrid Organic-inorganic Perovskite, Physical Chemistry Chemical Physics 18, 27358 (2016).
S. Srinivasan, S. R. Broderick, R. F. Zhang, A. Mishra, S. B. Sinnott, S. Saxena, J. M. LeBeau, and K. Rajan. Mapping Chemical Selection Pathways for Designing Multicomponent Alloys: an informatics framework for materials design, Scientific Reports 5, 17960 (2015).
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).
X. H. Yu, R. F. Zhang*, D. Weldon, S. C. Vogel, J. Z. Zhang, D. W. Brown, Y. B. Wang, H. M. Reiche, S. M. Wang, S. Y. Du, C. Q. Jin, and Y. S. Zhao. High pressure phase-transformation induced texture evolution and strengthening in zirconium metal: Experiment and modeling, Scientific Reports 5, 12552 (2015).
Q. F. Zhang, Y. P. Wang, Z. M. Seh, Z. H. Fu, R. F. Zhang, and Y. Cui. Understanding the Anchoring Effect of Two-Dimensional Layered Materials for Lithium-Sulfur Batteries, Nano Letters 15, 3780 (2015).
L. Han, S. M. Wang, J. L. Zhu, S. B. Han, W. M. Li, B. J. Chen, X. C. Wang, X. H. Yu, B. C. Liu, R. F. Zhang*, Y. W. Long, J. G. Chen, J. Z. Zhang, Y. S. Zhao, and C. Q. Jin. Hardness, elastic and electronic properties of chromium monoboride, Applied Physics Letters 106, 221902 (2015).
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 ofultra-Incompressible transition metal diboride: Case study of OsB₂ and IrB₂, Physical Review B 90, 094115 (2014).
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).
J. Wang, R. F. Zhang, C. Zhou, I. J. Beyerlein and A. Misra, Interface dislocation patterns and dislocation nucleation in face-centered-cubic and body-centered-cubic bicrystal interfaces, International Journal of Plasticity 53, 40 (2014).
I. J. Beyerlein, J. Wang and R. F. Zhang. Mapping dislocation nucleation behavior from bimetal interfaces, Acta Materialia 61, 7488 (2013).
S. H. Sheng, R. F. Zhang and S. Veprek. Decomposition mechanism of Al_xSi_yN_z solid solutions and possible mechanism of formation of covalent nc-AlN/ Si₃N₄ nanocomposites, Acta Materialia 61, 4226 (2013).
R. F. Zhang*, S. H. Sheng, and S. Veprek. Origin of different plastic resistance of transition metal nitrides and carbides: stiffer yet softer, Scripta Materialia68, 913 (2013).
S. H. Sheng, R. F. Zhang and S. Veprek. P Decomposition mechanism of Al_xSi_yN_z solid solutions and possible mechanism of formation of covalent nc-AlN/ Si₃N₄ nanocomposites, Acta Materialia 61, 4226 (2013).
I. J. Beyerlein, J. Wang and R. F. Zhang. Interface-dependent nucleation in nanostructured layered composites, APL Materials 1, 032112 (2013).
R. F. Zhang, T. C. Germann, J. Wang, X. Y. Liu, and I. J. Beyerlein. Role of interface structure on the plastic response of Cu/Nb nanolaminates under shock compression: Non-equilibrium molecular dynamics simulations, Scripta Materialia 68, 114 (2013).
S. M. Wang, X. H. Yu, Z. J. Lin, R. F. Zhang, D. W. He, J. Q. Qin, J. L. Zhu, J. T. Han, L. Wang, H. K. Mao, J. Z. Zhang, and Y. S. Zhao. Synthesis, crystal structure, and elastic properties of novel tungsten nitrides, Chemistry of Materials 24, 3023 (2012).
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).
R. F. Zhang, Z. J. Lin, H. K. Mao, and Y. S. Zhao. Thermodynamic stability and unusual strength of ultraincompressible rhenium nitrides, Physical Review B 83, 060101 (R) (2011).
R. F. Zhang, J. Wang, I. J. Beyerlein, and T. C. Germann. Dislocation nucleation mechanisms from fcc/bcc incoherent interfaces, Scripta Materialia 65, 1022 (2011).
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).
S. H. Sheng, R. F. Zhang and S. Veprek. Study of spinodal decomposition and formation of nc-Al₂O₃/ZrO₂ nanocomposites by combined ab initio density functional theory and thermodynamic modeling, Acta Materialia 59, 3498 (2011).
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).
S. H. Sheng, R. F. Zhang and S. Veprek. Phase stabilities and decomposition mechanism in the Zr-Si-N system studied by combined ab initio DFT and thermodynamic calculation, Acta Materialia 59, 297 (2011).
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).
R. F. Zhang, A. S. Argon and S. Veprek. Understanding why the thinnest SiN_x interface in transition metal nitrides is stronger than ideal, bulk crystal, Physical Review B 81, 245418 (2010).
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).
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).
R. F. Zhang*, S. H. Sheng and S. Veprek. On the anisotropic shear resistance of hard transition metal nitrides TMN (TM = Ti,Zr,Hf), Applied Physics Letters 94, 121903 (2009).
R. F. Zhang and S. Veprek. Deformation paths and atomistic mechanism of B4->B1 phase transformation in aluminium nitride, Acta Materialia 57, 2259 (2009).
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).
S. H. Sheng, R. F. Zhang and S. Veprek. Phase stabilities and thermal decomposition in Zr_1-xAl_xN system studied by ab initio calculation and thermodynamic modeling, Acta Materialia 56, 968 (2008).
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 (2008).
R. F. Zhang*, S. Veprek and A. S. Argon. Mechanical and electronic properties of hard rhenium diboride of low elastic compressibility studied by first-principles calculation. Applied Physics Letters 91, 201914 (2007).
R. F. Zhang and S. Veprek. Crystalline-to-amorphous transition in Ti_1-xSi_xN solid solution system and stability of fcc SiN studied by combined ab initiodensity functional theory and thermodynamic calculations, Physical Review B 76, 174105 (2007).
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).
R. F. Zhang, S. H. Sheng and S. Veprek. First principles studies of ideal strength and bonding nature of AlN polymorphs in comparison to TiN. Applied Physics Letters 91, 031906 (2007).
R. F. Zhang and S. Veprek. Phase stabilities and spinodal decomposition in Cr_1-xAl_xN system studied by ab initio LDA and thermodynamic modeling: Comparison with Ti_1-xAl_xN and TiN/Si₃N₄system. Acta Materialia 55, 4615 (2007).
R. F. Zhang, S. H. Sheng and S. Veprek. Mechanical strengths of silicon nitrides studied by ab initio calculations. Applied Physics Letters 90, 191903 (2007).
R. F. Zhang, H. F. Yan, Y. X. Shen and B. X. Liu. Formation of amorphous alloys by ion beam mixing and its multi-scale theoretical modeling in the equilibrium immiscible Sc-W system. Journal of Physical Chemistry B 109, 4391 (2005).
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 (2005).
L. T. Kong, R. F. Zhang, Z. C. Li and B. X. Liu. Magnetic moments of Co and Co-Ag alloys in equilibrium/nonequilibrium structures studied by ab initio calculations. Physical Review B 68, 13446 (2003).
R. F. Zhang and B. X. Liu. Proposed model for calculating the standard formation enthalpy of binary transition-metal systems. Applied Physics Letters 81, 1219 (2002).