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相干X射线衍射成像三维重建的数字模拟研究

周光照 王玉丹 任玉琦 陈灿 叶琳琳 肖体乔

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相干X射线衍射成像三维重建的数字模拟研究

周光照, 王玉丹, 任玉琦, 陈灿, 叶琳琳, 肖体乔

Digital simulation for 3D reconstruction of coherent x-ray diffractive imaging

Zhou Guang-Zhao, Wang Yu-Dan, Ren Yu-Qi, Chen Can, Ye Lin-Lin, Xiao Ti-Qiao
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  • 利用相干X射线衍射成像过采样采集样品的远场相干衍射图样, 结合相位重建迭代算法重建物空间样品信息. 三维重建过程中, 边界约束条件是相位重建算法中最为关键的部分. 本文采用数字模拟的方法, 利用灰度值图像作为物空间的样品, 研究并实现了边界条件的自动寻找, 重建结果显示比以往采用较松的边界约束更为精确. 利用噪声模拟方法, 研究了衍射图样中不同噪声类型的滤除对重建结果的影响. 研究发现传统的去噪方法在高噪声情况下不能直接应用于相干X射线衍射成像, 并找到了适用于相干X射线衍射成像噪声滤除的有效方法. 研究表明, 此方法能非常有效地降低噪声对重建结果的影响. 利用模拟三维纳米金颗粒作为样品, 完成了对纳米金颗粒中电子密度分布的三维重建, 在有随机噪声的影响下, 也得到了很好的重建结果, 并找到了成功实现三维重建的噪声限为信噪比不低于27.
    In coherent x-ray diffractive imaging, the oversampled far-field diffraction pattern for phase retrieval iterative algorithm is used in order to reconstruct the information about the real space. The support constraint is one of the most important steps of the 3D phase retrieval process. Here we use a small nonperiodic 2D digital image as an object for studying the algorithm of pursuing support constraint automatically and noise correction for different types of noises in the diffraction pattern. We find an efficient method of noise correction while the traditional methods do not work well in the high noise condition. The result shows that this method can be used to reduce the effect effectively for the reconstruction. We also study the 3D reconstruction for the electron density distribution of Au nano-particles. We achieve a good reconstruction separately with and without noise effect in the diffraction pattern and we find that the signal-to-noise ratio should be bigger than 27 for successful 3D reconstruction.
    • 基金项目: 国家重点基础研究发展计划(批准号:2010CB834301)、中国科学院对外合作重点项目(批准号: GJHZ09058)、国家自然科学基金(批准号: 10805071, 10705020)和上海市基础研究重点项目(批准号: 08JC1411900) 资助的课题.
    • Funds: Project supported by the National Basic Research Program of China (Grant No. 2010CB834301), the External Cooperation Program of Chinese Academy of Sciences, China (Grant No. GJHZ09058), the National Natural Science Foundation of China (Grant Nos. 10805071, 10705020), and the Key Basic Research Program of Shanghai, China (Grant No. 08JC1411900).
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    Xue Y L, Xiao T Q, Wu L H, Chen C, Guo R Y, Du G H, Xie H L, Deng B, Ren Y Q, Xu H J 2010 Acta Phys. Sin. 59 5496 (in Chinese) [薛艳玲, 肖体乔, 吴立宏, 陈灿, 郭荣怡, 杜国浩, 谢红兰, 邓彪, 任玉琦, 徐洪杰 2010 59 5496]

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    Miao J W, Chen C C, Song C Y, Nishino Y, Kohmura Y, Ishikawa T, Damien R J, Lee T K, Risbud S H 2006 Phys. Rev. Lett. 97 215503

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    Chen C C, Miao J W, Wang C W, Lee T K 2007 Phys. Rev. B 76 064113

    [22]

    Marchesini S, He H, Chapman H N, Hau-Riege S P, Noy A, Howells M R, Weierstall U, Spence J C H 2003 Phys. Rev. B 68 140101

    [23]

    Zhou G Z, Tong Y J, Chen C, Ren Y Q, Wang Y D, Xiao T Q 2011 Acta Phys. Sin. 60 028701 (in Chinese) [周光照, 佟亚军, 陈灿, 任玉琦, 王玉丹, 肖体乔 2011 60 028701]

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    Jiang H D, Song C Y, Chen C C, Xu R, Raines K S, Benjamin P F, Lu C H, Lee T K, Nakashima A, Urano J, Ishikawa T, Tamanoi F, Miao J W 2010 PNAS 107 11234

    [25]

    Barty A, Marchesini S, Chapman H N, Cui C, Howells M R, Shapiro D A, Minor A M, Spence J C H, Weierstall U, Ilavsky J, Noy A, Hau-Riege S P, Artyukhin A B, Baumann T, Willey T, Stolken J 2008 Phys. Rev. Lett. 101 055501

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    Raines K S, Sara S, Richard L S, Jiang H D, Jose A R, Benjamin P F, Henry C K, Du J C, Miao J W 2009 Nature 463 214

  • [1]

    Xie H L, Hu W, Luo H X, Du G H, Deng B, Chen R C, Xue Y L, Shi S M, Xiao T Q 2008 Acta Phys. Sin. 57 7044 (in Chinese) [谢红兰, 胡雯, 罗红心, 杜国浩, 邓彪, 陈荣昌, 薛艳玲, 师绍猛, 肖体乔 2008 57 7044]

    [2]

    Liu L X, Du G H, Hu W, Xie H L, Xiao T Q 2007 Acta Phys. Sin. 56 4556 (in Chinese) [刘丽想, 杜国浩, 胡雯, 谢红兰, 肖体乔 2007 56 4556]

    [3]

    Shi S M, Chen R C, Xue Y L, Ren Y Q, Du G H, Deng B, Xie H L, Xiao T Q 2008 Acta Phys. Sin. 57 6319 (in Chinese) [师绍猛, 陈荣昌, 薛艳玲, 任玉琦, 杜国浩, 邓彪, 谢红兰, 肖体乔 2008 57 6319]

    [4]

    Xue Y L, Xiao T Q, Wu L H, Chen C, Guo R Y, Du G H, Xie H L, Deng B, Ren Y Q, Xu H J 2010 Acta Phys. Sin. 59 5496 (in Chinese) [薛艳玲, 肖体乔, 吴立宏, 陈灿, 郭荣怡, 杜国浩, 谢红兰, 邓彪, 任玉琦, 徐洪杰 2010 59 5496]

    [5]

    Marchesini S, Chapman H N, Hau-Riege S P, London R A, Szoke A 2003 Opt. Express 11 2344

    [6]

    Schroer C G, Boye P, Feldkamp M J, Patommel J, Schropp A, Schwab A, Stephan S, Burghammer, Schöder S, Riekel C 2008 Phys. Rev. Lett. 101 090801

    [7]

    Sayre D 1952 Acta Cryst. 5 843

    [8]

    Sayre D, Schlenker M 1980 Lecture Notes in Physics (Vol. 112) (Berlin: Springer) p229

    [9]

    Fienup J R 1982 Appl. Opt. 21 2758

    [10]

    Miao JW, Charalambous P, Kirz J, Sayre D 1999 Nature 400 342

    [11]

    Miao J W, Chen C C, Song C Y, Nishino Y, Kohmura Y, Ishikawa T, Damien R J, Lee T K, Risbud S H 2006 Phys. Rev. Lett. 97 215503

    [12]

    Chapman H N, Barty A, Marchesini S, Noy A, Cui C, Howells M R, Rosen R, He H, Spence J C H, Weierstall U, Beetz T, Jacobsen C, Shapiro D 2006 J. Opt. Soc. Am. 23 1179

    [13]

    Abbey B, Williams G J, Pfeifer M A, Clark J N, Putkunz C T, Torrance A, McNulty I, Levin T M, Peele A G, Nugent K A 2008 Appl. Phys. Lett. 93 214101

    [14]

    Thibault P, Elser V, Jacobsen C, Shapiro D, Sayre D 2006 Acta Cryst. 62 248

    [15]

    Hau-Riege S P, Chapman H N, Krzywinski J, Sobierajski R, Bajt S, London R A, Bergh M, Caleman C, Nietubyc R, Juha L, Kuba J, Spiller E, Baker S, Bionta R, Tinten K S, Stojanovic N, Kjornrattanawanich B, Gullikson E, Plönjes E, Toleikis S, Tschentscher T 2007 Phys. Rev. Lett. 98 145502

    [16]

    Chapman H N, Nugent K A 2010 Nature Photon 4 833

    [17]

    Gerchberg R W, Saxton W O 1972 Optik 35 237

    [18]

    Abrahams J P, Leslie A W G 1996 Acta Crystallogr. D52 30

    [19]

    Elser V 2003 J. Opt. Soc. Am. A 20 40

    [20]

    Luke D R 2005 Inverse Probl. 21 37

    [21]

    Chen C C, Miao J W, Wang C W, Lee T K 2007 Phys. Rev. B 76 064113

    [22]

    Marchesini S, He H, Chapman H N, Hau-Riege S P, Noy A, Howells M R, Weierstall U, Spence J C H 2003 Phys. Rev. B 68 140101

    [23]

    Zhou G Z, Tong Y J, Chen C, Ren Y Q, Wang Y D, Xiao T Q 2011 Acta Phys. Sin. 60 028701 (in Chinese) [周光照, 佟亚军, 陈灿, 任玉琦, 王玉丹, 肖体乔 2011 60 028701]

    [24]

    Jiang H D, Song C Y, Chen C C, Xu R, Raines K S, Benjamin P F, Lu C H, Lee T K, Nakashima A, Urano J, Ishikawa T, Tamanoi F, Miao J W 2010 PNAS 107 11234

    [25]

    Barty A, Marchesini S, Chapman H N, Cui C, Howells M R, Shapiro D A, Minor A M, Spence J C H, Weierstall U, Ilavsky J, Noy A, Hau-Riege S P, Artyukhin A B, Baumann T, Willey T, Stolken J 2008 Phys. Rev. Lett. 101 055501

    [26]

    Raines K S, Sara S, Richard L S, Jiang H D, Jose A R, Benjamin P F, Henry C K, Du J C, Miao J W 2009 Nature 463 214

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出版历程
  • 收稿日期:  2011-01-10
  • 修回日期:  2011-03-18
  • 刊出日期:  2012-01-05

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