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非晶中结构遗传性及描述

武振伟 李茂枝 徐莉梅 汪卫华

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非晶中结构遗传性及描述

武振伟, 李茂枝, 徐莉梅, 汪卫华

Inherited structure of amorphous matter

Wu Zhen-Wei, Li Mao-Zhi, Xu Li-Mei, Wang Wei-Hua
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  • 非晶态物质广泛存在于人们的日常生活和工业生产活动中,但人们对其原子结构及其结构与性能关系的认识还远不如对晶体材料那样充分.非晶态物质的原子结构不具备空间平移对称性,这使得传统针对晶体材料的实验技术和手段无法直接有效地应用到非晶态物质的结构分析中.用常规的衍射实验数据分析方法并不能直接地观察到非晶态物质的本征结构特征,但这些实验衍射数据往往隐含有极其重要的微观结构信息.本文简要综述了这些衍射数据背后所隐含的与金属玻璃中程序相关的结构信息.研究发现,非晶态物质中的一类隐含序与晶体结构中的球周期序紧密相关,意味着非晶态物质与晶体材料之间在原子结构上存在着非凡的同源性.进一步的研究结果还表明,不同隐含拓扑序之间纠缠的强弱与体系本身的玻璃形成能力存在明显的对应关系,这为衡量金属合金玻璃形成能力强弱的经验规律——混乱原理提供了微观结构上的理解,同时为进一步深入认识和理解非晶态材料衍射数据所隐含的微观结构信息提供了新的分析思路和方法.
    The inherent atomic packing mode of glassy solid is still one of the most interesting and fundamental problems in condensed-matter physics and material science. Although significant progress has been made and provided insights into the atomic-level structure and short-to-medium-range order in glass, the way of leading to the medium-range order is still unclear. Does a universal rule exist in nature to construct a glass structure as what has been discovered for crystals? Is there any connection between glassy and crystalline structures? If so, what does the connection look like and how is the connection related to the properties of the glassy solids? A glassy state is usually obtained through supercooling a liquid fast enough to avoid crystallization. The amorphous nature of glassy solid is experimentally ascertained by X-ray diffraction (XRD), transmission electron microscopy or selected area electron diffraction (SAED). Almost all kinds of glassy solids exhibit similar maze-like SAED patterns without any local lattice fringes and broad diffraction maximum characteristics in XRD data. However, the glassy solids are inherently different in atomic-level structure, demonstrated by their different response behaviors under certain conditions, for example, the diverse annealing-precipitated crystallinephases, the distinct mechanical strengths and ductilities, and the different thermal stabilities against crystallization. Unfortunately, such a difference in inherent structure among glassy solids cannot be easily differentiated from a trivial analysis of the experimental diffraction data. However, the diffraction data such as structure factors or pair correlation functions (PCFs) are not as trivial as they look like. On the contrary, some studies have demonstrated that plenty of structural information is hidden behind the data of structure factors or PCFs, for example, global packing containing both spherical-periodic order and local translational symmetry has been revealed by analyzing PCFs of many metallic glasses. A fractal nature of medium-range order in metallic glassis also found by examining the relationships between the first peak positions in structure factors and atomic molar volumes in many metallic glasses. In fact, the oscillation in the structure factor or PCF is an indication that a certain order does exist in amorphous solid. Therefore, a more careful scrutiny of the diffraction data is desired to gain a more in-depth insight into the glassy structure features and find a clue to unveil the natures of the inherent structures in different glasses. In this paper, we briefly review the recent molecular dynamics simulation results that the distinct hidden orders of atomic packing formula in medium range in these pure glassy solids are unveiled to be inherited from bcc order in glassy Fe and fcc order in glassy Ni, respectively, reflecting nontrivial structural homology between glassy and crystalline solids. By analyzing the partial PCFs of three two-component metallic glasses of CuZr, NiAl, and NiCu which are similar but have distinct glass-forming ability via MD simulations, very different hidden orders are observed in each individual system, indicating that the hidden orders are more complex in multicomponent metallic glasses. The different hidden orders in a multicomponent metallic glass may be entangled topologically. More different hidden orders lead to more complex topological entanglement. Further analysis indicates that the formation of the hidden orders during cooling and their topological entanglement produces the geometrical frustration against crystallization and is closely correlated with the glass-forming ability of metallic alloys. A “genetic map” of hidden orders in metallic glass is finally constructed, which provides new insights into the structural properties and structure-property relationships in metallic glass-forming liquids and glasses.
      通信作者: 武振伟, zwwu@pku.edu.cn
    • 基金项目: 国家重点基础研究发展计划(批准号:2015CB856801)、国家自然科学基金(批准号:11525520,51631003)和中国博士后科学基金(批准号:2017M610687)资助的课题.
      Corresponding author: Wu Zhen-Wei, zwwu@pku.edu.cn
    • Funds: Project supported by the National Basic Research Program of China (Grant No. 2015CB856801), the National Natural Science Foundation of China (Grant Nos. 11525520, 51631003), and the China Postdoctoral Science Foundation (Grant No. 2017M610687).
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    Yavari A R 2006 Nature 439 405

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    Bernal J D 1960 Nature 185 68

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    Gaskell P H 1978 Nature 276 484

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    Sheng H W, Luo W K, Alamgir F M, Bai J M, Ma E 2006 Nature 439 419

    [7]

    Ma D, Stoica A D, Wang X L 2009 Nat. Mater. 8 30

    [8]

    Li M, Wang C Z, Hao S G, Kramer M J, Ho K M 2009 Phys. Rev. B 80 184201

    [9]

    Liu X J, Xu Y, Hui X, Lu Z P, Li F, Chen G L, Lu J, Liu C T 2010 Phys. Rev. Lett. 105 155501

    [10]

    Zeng Q, Sheng H, Ding Y, Wang L, Yang W, Jiang J Z, Mao W L, Mao H K 2011 Science 332 1404

    [11]

    Hirata A, Kang L J, Fujita T, Klumov B, Matsue K, Kotani M, Yavari A R, Chen M W 2013 Science 341 376

    [12]

    Pan S P, Qin J Y, Wang W M, Gu T K 2011 Phys. Rev. B 84 092201

    [13]

    Zallen R 1983 The Physics of Amorphous Solids (Wiley Online Library)

    [14]

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    Frank F C 1952 Proc. R. Soc. London Ser. A 215 43

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    Cheng Y Q, Ma E 2011 Prog. Mater. Sci. 56 379

    [20]

    Leocmach M, Tanaka H 2012 Nat. Commun. 3 974

    [21]

    Tanaka H, Kawasaki T, Shintani H, Watanabe K 2010 Nat. Mater. 9 324

    [22]

    Tanaka H 2005 J. Non-Cryst. Solids 351 3385

    [23]

    Greer A L, Cheng Y Q, Ma E 2013 Mater. Sci. Eng. R 74 71

    [24]

    Schneider S, Thiyagarajan P, Johnson W L 1996 Appl. Phys. Lett. 68 493

    [25]

    Mattern N, Khn U, Hermann H, Ehrenberg H, Neuefeind J, Eckert J 2002 Acta Mater. 50 305

    [26]

    Schroers J, Johnson W L 2004 Phys. Rev. Lett. 93 255506

    [27]

    Dimiduk D M, Woodward C, LeSar R, Uchic M D 2006 Science 312 1188

    [28]

    Chen M, Inoue A, Zhang W, Sakurai T 2006 Phys. Rev. Lett. 96 245502

    [29]

    Liu Y H, Wang G, Wang R J, Zhao D Q, Pan M X, Wang W H 2007 Science 315 1385

    [30]

    Wang W H 2012 Nat. Mater. 11 275

    [31]

    Greer A L 1995 Science 267 1947

    [32]

    Tang C, Harrowell P 2013 Nat. Mater. 12 507

    [33]

    Suryanarayana C, Seki I, Inoue A 2009 J. Non-Cryst. Solids 355 355

    [34]

    Lee S W, Huh M Y, Fleury E, Lee J C 2006 Acta Mater. 54 349

    [35]

    Wu Z W, Li M Z, Wang W H, Liu K X 2015 Nat. Commun. 6 6035

    [36]

    Bennett C H 1972 J. Appl. Phys. 43 2727

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    [38]

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    Lu Z P, Liu C T 2004 J. Mater. Sci. 39 3965

    [40]

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  • 收稿日期:  2017-05-31
  • 修回日期:  2017-07-11
  • 刊出日期:  2017-09-05

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