北京航天航空大学材料学院材料物理与化学系张瑞丰教授

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张瑞丰
职称职务：教授
所在单位：材料物理与化学
联系电话：010-82315007
电子邮箱：zrf@buaa.edu.cn 或 zrfbuaa@gmail.com
办公地点：北京市海淀区学院路37号北京航空航天大学新主楼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“卓越百人计划”教授，入选中组部“青年##计划”和北航“青年拔尖人才计划”。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。迄今在Phys. Rev. Lett., Adv. Mater., Acta Mater., Nano Lett., Phys. Rev. B, Appl. Phys. Lett., Sci. Rep., Comp. Phys. Lett.等著名学术期刊发表论文90余篇（第一/通讯作者60余篇），被SCI引用1700多次，H因子=26，学术报告30余次（主题或邀请报告10余次）。主页：https://sites.google.com/site/zrfbuaa

主讲课程
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；硬质和超硬材料；合金和金属基复合材料；新能源材料；材料强韧化；界面物理和力学 ；材料极端条件服役失效行为
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
曾独立主持和参与完成国际项目：德国洪堡研究基金，德国自然科学基金项目，美国洛斯阿拉莫斯国家实验室LDRD项目，美国能源部能源前沿研究中心项目（EFRC）等。现主持国家自然科学基金项目2项，中组部青年##计划项目，北航青年拔尖人才计划项目，承担国家重点研发计划重点专项1项。编写“Miedema Calculator”热力学软件（>300注册用户）, “Informatics Analyzer”材料基因解析软件，“Atomistic Analyzer: AACSD”晶体缺陷和晶粒取向原子级分析程序， “HITUSS”高通量晶体结构筛选程序包，“AICISS”第一原理强度预测程序包，合作编写“SPaSM Simulator”大尺度非平衡分子动力学模拟和可视化程序等。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, 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).
• 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).
• T. Ma, H. Li, X. Zheng, S. 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 (2016) in press.
• 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).
• 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).
• 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 AlxSiyNz 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 Materialia 68, 913 (2013).
• S. H. Sheng, R. F. Zhang and S. Veprek. P Decomposition mechanism of AlxSiyNz solid solutions and possible mechanism of formation of covalent nc-AlN/ Si3N4 nanocomposites, Acta Materialia 61, 4226 (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, 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, 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, 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 SiNx 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 Zr1-xAlxN 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 Ti1-xSixN solid solution system and stability of fcc SiN studied by combined ab initio density 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 Cr1-xAlxN system studied by ab initio LDA and thermodynamic modeling: Comparison with Ti1-xAlxN 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).

nianzhonghui

北航张瑞丰Acta. Mater.：更高强度和更耐失效的三维锯齿状双金属界面

金属基纳米复合材料由于其优异的性能而备受关注和广泛研究，比如，优异的抗辐射损伤性能，良好的热稳定性，以及在常温和室温条件下的较高强度和塑性阻力。这些性能上的显著增强可以归因于双金属界面在高温、辐射和机械变形条件下表现出的特定界面结构稳定性。研究表明，诸多关键的力学行为，例如位错形核、缺陷的吸收和湮灭，都起源于界面区域。虽然低能双金属平界面结构在材料中普遍存在，但也有可能通过宏观的或局域的晶体学取向改变而形成高能界面结构。虽然这些高能界面出现的频率可能较低，但它们仍然是缺陷形成和相间运动的优先位置，在材料变形响应中发挥重要作用。

近日，北京航空航天大学张瑞丰教授利用原子尺度模拟和界面缺陷理论，考虑Cu/Ag和Cu/Nb两种典型双金属系统，揭示了高能界面可以通过形成周期性原子级锯齿结构来实现界面局部低能态，并且提出了一种普适的界面锯齿结构设计原则，以期获得最佳力学性能的界面结构。在几种不同的应变条件下，与平坦界面相比，具有原子级周期锯齿的界面具有更高的位错形核垒和更高的界面剪切阻力。这种理想的性能组合并不是通常研究的低能界面所具备的力学特征：低能界面通常具有高的位错形核势垒和低的界面滑移阻力。通过对错配位错结构演化以及点阵位错形核的详细分析表明，周期锯齿结构能够改变塑性变形初期的位错形核的数量和开动的滑移系统，同时能够有效降低界面区域错配位错产生的应力集中。最后，作者基于大量对比性的模拟结果，提出了针对于高能界面力学韧塑性调制策略，即通过优化设计原子锯齿状界面来改善金属基纳米结构材料的力学强度、提升界面滑移和蠕变抗力。原子级锯齿状界面具有更高稳定性和力学强度的同时能够有效缓解应变局域化，进而为实验界面设计提供了理论基础、具有较大的应用前景。该成果近日以题为“Stronger and more failure-resistant with three-dimensional serrated bimetal interfaces”发表在知名期刊Acta. Mater.上。

作者利用原子模拟和位错理论，揭示了两个有代表性的高能量，平坦Cu{110}//{110}Ag界面和准平坦Cu{112}//{112}Nb界面的界面特征和变形机制，以及它们的锯齿变体。结果可归纳如下：
1. 对于平坦Cu{110}//{110}Ag界面，锯齿的引入显着改变了界面错配位错，从具有较大伯格斯矢量的位错转变为Shockley不全位错和Hirth型位错。对于具有内禀小平面的Cu{112}//{112}Nb界面，锯齿的引入不会改变错配位错的种类，但会改变它们的形态；
2. 与平坦界面或准平面界面相比，锯齿状界面在单轴拉伸/压缩载荷下实现更高的峰值应力和临界应变，这意味着更高的位错成核势垒。界面结构和错配位错的重新配置改变了优选的滑移系统和变形机制，并减轻了界面处的应变集中；
3. 锯齿状Cu{112}//{112}Nb界面沿着锯齿交替分布的方向具有更高的剪切阻力，同时阻碍了具有面外伯格斯矢量的错配位错开动；
4. 与非密排的平坦界面相比，锯齿状界面具有较低的界面能，表明锯齿界面较高的热力学稳定性。

文献链接：Stronger and more failure-resistant with three-dimensional serrated bimetal interfaces (Acta Mater. 2018, DOI: 10.1016/j.actamat.2018.12.051)