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检索条件"任意字段=Conference on Advances in Computational Methods for X-Ray and Neutron Optics"

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Sirepo: a web-based interface for physical optics simulations - its deployment and use at NSLS-II 4

Sirepo: a web-based interface for physical optics simulation...

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conference on advances in computational methods for x-ray optics IV

作者： Rakitin, Maksim S. Chubar, Oleg Moeller, Paul Nagler, Robert Bruhwiler, David L. Brookhaven Natl Lab NSLS II Upton NY 11973 USA RadiaSoft LLC 1348 Redwood Ave Boulder CO 80304 USA Bivio LLC 4800 Baseline RdE-104-336 Boulder CO 80303 USA

ISBN: (数字)9781510612341

ISBN: (纸本)9781510612341;9781510612334

"Sirepo" is an open source cloud-based software framework which provides a convenient and user-friendly web-interface for scientific codes such as Synchrotron Radiation Workshop (SRW) running on a local machine or a remote server side. SRW is a physical optics code allowing to simulate the synchrotron radiation from various insertion devices (undulators and wigglers) and bending magnets. Another feature of SRW is a support of high-accuracy simulation of fully-and partially-coherent radiation propagation through x-ray optical beamlines, facilitated by so-called "Virtual Beamline" module. In the present work, we will discuss the most important features of Sirepo/SRW interface with emphasis on their use for commissioning of beamlines and simulation of experiments at National Synchrotron Light Source II. In particular, "Flux through Finite Aperture" and "Intensity" reports, visualizing results of the corresponding SRW calculations, are being routinely used for commissioning of undulators and x-ray optical elements. Material properties of crystals, compound refractive lenses, and some other optical elements can be dynamically obtained for the desired photon energy from the databases publicly available at Argonne National Lab and at Lawrence Berkeley Lab. In collaboration with the Center for Functional Nanomaterials (CFN) of BNL, a library of samples for coherent scattering experiments has been implemented in SRW and the corresponding Sample optical element was added to Sirepo. Electron microscope images of artificially created nanoscale samples can be uploaded to Sirepo to simulate scattering patterns created by synchrotron radiation in different experimental schemes that can be realized at beamlines.

关键词： Sirepo SRW cloud computing synchrotron radiation NSLS-II

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Analysis of hard x-ray focusing by 2D diamond CRL 5

Analysis of hard X-ray focusing by 2D diamond CRL

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conference on advances in computational methods for x-ray optics V

作者： Chubar, Oleg Wiegart, Lutz Antipov, Sergey Celestre, Rafael Coles, Rebecca Fluerasu, Andrei Rakitin, Maksim Brookhaven Natl Lab Natl Synchrotron Light Source 2 Upton NY 11973 USA Euclid Techlabs LLC Bolingbrook IL 60440 USA European Synchrotron Radiat Facil 71 Ave MartyrsCS 40220 F-38043 Grenoble 9 France

ISBN: (数字)9781510637931

ISBN: (纸本)9781510637931;9781510637924

x-ray Compound Refractive Lenses (CRLs) made out of diamond have a number of attractive features for applications at modern light sources, such as relatively large refractive index decrement and yet relatively low absorption for hard xrays, low thermal expansion coefficient and high mechanical rigidity (allowing to safely use them as first optical elements of beamlines), and relatively low undesirable scattering from their volume. However, diamond CRLs are hard to fabricate and process to a (sub-)micron accuracy of the surface shape, required for aberration-free focusing of hard xrays. We will report on results of experimental tests of first generation 2D diamond CRLs manufactured by Euclid Techlabs LLC. The tests were performed at the Coherent Hard x-ray beamline of the National Synchrotron Light Source II, and included measurements of intensity profiles of similar to 13 keV undulator radiation focused by one diamond lens in a low-demagnification geometry. Such geometry is typically used for the x-ray beam transport and can be used for the imaging-based diagnostics of the emitting electron beam. The quality of x-ray focusing with the new diamond CRL was analyzed by comparing the measurement results with partially-coherent wave-optics simulations performed with Synchrotron Radiation Workshop code. The tests of the diamond CRL also included measurements of small-angle x-ray scattering produced by it, and comparison of these data with the scattering data from a beryllium CRL with the same focal length.

关键词： synchrotron radiation light sources diamond CRL x-ray focusing

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Simulations of single-particle imaging of hydrated proteins with x-ray free-electron lasers 4

Simulations of single-particle imaging of hydrated proteins ...

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conference on advances in computational methods for x-ray optics IV

作者： Fortmann-Grote, C. Bielecki, J. Jurek, Z. Santra, R. Ziaja-Motyka, B. Mancuso, A. P. European XFEL GmbH Holzkoppel 4 D-22869 Schenefeld Germany DESY Ctr Free Electron Laser Sci Notkestr 85 D-22607 Hamburg Germany Hamburg Ctr Ultrafast Imaging Luruper Chaussee 149 D-22761 Hamburg Germany Univ Hamburg Dept Phys Jungiusstr 9 D-20355 Hamburg Germany Polish Acad Sci Inst Nucl Phys Radzikowskiego 152 PL-31342 Krakow Poland

ISBN: (数字)9781510612341

ISBN: (纸本)9781510612341;9781510612334

We employ start-to-end simulations to model coherent diffractive imaging of single biomolecules using x-ray free electron lasers. This technique is expected to yield new structural information about biologically relevant macromolecules thanks to the ability to study the isolated sample in its natural environment as opposed to crystallized or cryogenic samples. The effect of the solvent on the diffraction pattern and interpretability of the data is an open question. We present first results of calculations where the solvent is taken into account explicitely. They were performed with a molecular dynamics scheme for a sample consisting of a protein and a hydration layer of varying thickness. Through R-factor analysis of the simulated diffraction patterns from hydrated samples, we show that the scattering background from realistic hydration layers of up to 3 angstrom thickness presents no obstacle for the resolution of molecular structures at the sub-nm level.

关键词： Start-to-end simulations single-particle imaging hydration layer

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Propagation of Coherent Light Pulses with PHASE 3

Propagation of Coherent Light Pulses with PHASE

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conference on advances in computational methods for x-ray optics III

作者： Bahrdt, J. Flechsig, U. Grizolli, W. Siewert, F. Helmholtz Zentrum Berlin Albert Einstein Str 15 D-12489 Berlin Germany Paul Scherrer Inst CH-5232 Villigen Switzerland Lund Univ MAX Lab 4 SE-22100 Lund Sweden

ISBN: (纸本)9781628412369

The current status of the software package PHASE for the propagation of coherent light pulses along a synchrotron radiation beamline is presented. PHASE is based on an asymptotic expansion of the Fresnel-Kirchhoff integral (stationary phase approximation) which is usually truncated at the 2nd order. The limits of this approximation as well as possible extensions to higher orders are discussed. The accuracy is benchmarked against a direct integration of the Fresnel-Kirchhoff integral. Long range slope errors of optical elements can be included by means of 8th order polynomials in the optical element coordinates w and l. Only recently, a method for the description of short range slope errors has been implemented. The accuracy of this method is evaluated and examples for realistic slope errors are given. PHASE can be run either from a built-in graphical user interface or from any script language. The latter method provides substantial flexibility. Optical elements including apertures can be combined. Complete wave packages can be propagated, as well. Fourier propagators are included in the package, thus, the user may choose between a variety of propagators. Several means to speed up the computation time were tested - among them are the parallelization in a multi core environment and the parallelization on a cluster.

关键词： physical optics propagation of coherent light

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Theoretical analysis and development of high efficiency tender x-ray multilayer coated gratings 5

Theoretical analysis and development of high efficiency tend...

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conference on advances in computational methods for x-ray optics V

作者： Zhuang, Yeqi Huang, Qiushi Kozhevnikov, Igor, V Feng, Jiangtao Qi, Runze Sokolov, Andrey Senf, Friedmar Zhang, Zhong Wang, Zhanshan Tongji Univ Sch Phys Sci & Engn Inst Precis Opt Engn Key Lab Adv Microstruct MatMOE Shanghai 200092 Peoples R China Russian Acad Sci Shubnikov Inst Crystallog Fed Sci Res Ctr Crystal Leninskiy Pr 59 Moscow 119333 Russia Helmholtz Zentrum Berlin Mat & Energie BESSY II Albert Einstein Str 15 D-12489 Berlin Germany

ISBN: (数字)9781510637931

ISBN: (纸本)9781510637931;9781510637924

The low efficiency of conventional single layer gratings at the tender x-ray region (E=1 similar to 5 keV) significantly limits the photon flux of the beamline and the development of related imaging and spectroscopy experiments in this region. To overcome this issue, multilayer coated gratings have been proposed and developed. The diffraction behavior of a multilayer grating is more complex than a single layer grating. To understand the diffraction behavior and exert the maximum potential of this new optics, we have built an analytical theory based on coupled wave theory. A high efficiency single order diffraction regime was first identified which means only one diffraction order will be excited with a certain incidence angle and structure parameters. This is applicable to blazed multilayer gratings (BMGs). To achieve maximum efficiency, the optimum grating and multilayer structures were analyzed. The highest theoretical efficiency of a BMG can reach the same value of the coated multilayer reflectance. Moreover, blazed multilayer gratings exhibit the advantage of high harmonics suppression. For the BMG, the conventional condition of maximal diffraction efficiency, Dsin alpha = nd, where D and d is the grating period and multilayer period, respectively, alpha is blaze angle, n is diffraction order, has been proved invalid. This is due to the contribution of anti-blaze facets to diffraction and effect of strongly asymmetric diffraction. Based on these, a Cr/C BMG was fabricated in collaboration with the Department for Nanometer optics and Technology in BESSY-II. Maximum efficiency of up to 60% was demonstrated at 3 keV which is close to the theoretical prediction.

关键词： Diffraction gratings Multilayers Diffraction theory tender x-rays

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A software package named MOI is developed for calculating the mutual optical intensity propagation through beamline 5

A software package named MOI is developed for calculating th...

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conference on advances in computational methods for x-ray optics V

作者： Wang, Yong Meng, xiangyu Shi, xianbo Ren, Junchao Assoufid, Lahsen Tai, Renzhong Chinese Acad Sci Shanghai Adv Res Inst Shanghai 201210 Peoples R China Argonne Natl Lab Adv Photon Source 9700 S Cass Ave Argonne IL 60439 USA Chinese Acad Sci Shanghai Inst Appl Phys Shanghai Peoples R China

ISBN: (数字)9781510637931

ISBN: (纸本)9781510637931;9781510637924

The mutual optical intensity (MOI) package is developed to simulate the mutual optical intensity propagation through beamline and is available online at ***. In this paper we describe the basic principles of the MOI package. The propagation of the mutual optical intensity is numerically carried out by dividing the wave plane into many small elements to meet the requirements of the Fraunhofer or the Fresnel approximations. From the mutual optical intensity, the intensity, the phase distribution and the coherence between any two points in a wave plane can be extracted. The in-plane wave vector distribution in the wave plane of partially coherent beam can be obtained by considering the phase distribution inside each element. The consideration of the in-plane wave vector provides both higher accuracy and higher efficiency, which is very important to the future development of the 2D MOI code. We demonstrate applications of the MOI package on propagation simulations of partially coherent beams in different optical setup, including the propagation through an elliptically cylinder mirror and a parabolically cylinder mirror. The dependence of the in-plane wavevector on the beam coherence is analyzed. Clear. shifts are seen in the in-plane wavevector profile and disappear with decreasing coherence. The knowledge of the in-plane wave vector gives detailed analysis of the beam wavefront. The calculation efficiency depends on the number of elements. The calculation speed for the mutual optical intensity propagation with 1000 elements through one optics is about 2.5 seconds.

关键词： beamline partially coherent x-ray mutual optical intensity wavevector simulation software package

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Analysis of the optical design of the NSLS-II Coherent Hard x-ray beamline

Analysis of the optical design of the NSLS-II Coherent Hard ...

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conference on advances in computational methods for x-ray optics II

作者： Fluerasu, Andrei Chubar, Oleg Kaznatcheev, Konstantine Baltser, Jana Wiegart, Lutz Evans-Lutterodt, Kenneth Carlucci-Dayton, Mary Berman, Lonny Brookhaven Natl Lab Photon Sci Directorate Upton NY 11973 USA Univ Copenhagen Niels Bohr Inst DK-2100 Copenhagen Denmark

ISBN: (纸本)9780819487513

Ultra-low emittance third-generation synchrotron radiation sources such as the NSLS-II offer excellent opportunities for the development of experimental techniques exploiting x-ray coherence. Coherent light scattered by a heterogeneous sample produces a speckle pattern characteristic for the specific arrangement of the scatterers. This may vary over time, and the resultant intensity fluctuations can be measured and analyzed to provide information about the sample dynamics. x-ray photon correlation spectroscopy (xPCS) extends the capability of dynamic light scattering to opaque and turbid samples and extends the measurements of time evolution to nanometer length scales. As a consequence xPCS became crucial in the study of dynamics in systems including, but not being limited to, colloids, polymers, complex fluids, surfaces and interfaces, phase ordering alloys, etc. In this paper we present the conceptual optical design and the theoretical performance of the Coherent Hard x-ray (CHx) beamline at NSLS-II, dedicated to xPCS and other coherent scattering techniques. For the optical design of this beamline, there is a tradeoff between the coherence needed to distinguish individual speckles and the phase acceptance (high intensity) required to measure fast dynamics with an adequate signal-to-noise level. As xPCS is a "photon hungry" technique, the beamline optimization requires maximizing the signal-to-noise ratio of the measured intensity-intensity autocorrelation function. The degree of coherence, as measured by a two-slit (Young) experiment, is used to characterize the speckle pattern visibilities. The beamline optimization strategy consists of maximization of the on-sample intensity while keeping the degree of coherence within the 0.1-0.5 range. The resulted design deviates substantially from an ad-hoc modification of a hard x-ray beamline for xPCS measurements. The CHx beamline will permit studies of complex systems and measurements of bulk dynamics down to the micros

关键词： x-ray beamline wavefront propagation analysis coherent scattering transverse coherence photon correlation spectroscopy

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Multilayer coating design methods for a high-energy x-ray imaging optic with complex design requirements 27

Multilayer coating design methods for a high-energy x-ray im...

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conference on advances in x-ray/EUV optics and Components xVII

作者： Walton, Chris C. Kozioziemski, Bernard Fein, Jeffrey R. Romaine, Suzanne E. Vogel, Julia K. Lawrence Livermore Natl Lab Livermore CA 94550 USA Sandia Natl Labs Albuquerque NM 87185 USA Harvard & Smithsonian Ctr Astrophys Cambridge MA 02138 USA Univ Zaragoza Dept Theoret Phys Zaragoza Spain

ISBN: (纸本)9781510654655;9781510654648

Imaging of x-rays with energies >15 keV is a necessity for several applications in high-energy density physics experiments. Multilayer-coated, Wolter-type glancing-incidence optics offer higher collection efficiency than pinhole cameras or Kirkpatrick-Baez style mirrors, and can achieve spatial resolution of 10-100um over 1-8 mm fields of view with throughput similar to 1-10%. Designing the multilayer coating is a complex optimization problem, involving multiple tradeoffs. A narrow energy bandwidth (similar to 1keV) is desirable to exclude background, but a broad angular acceptance is desirable for the optic to image a large field (similar to 1-8 mm). A Wolter optic's net reflectivity is two-bounce R-2 = R-1*R-2 for a wide range of pairs of incidence angles theta(1), theta(2). In addition, the multilayer coating can be modified in several ways, such as varying the period thickness through the stack, and along the length of the optic. Parallelized searches using ordinary gradient-descent and Markov-Chain Monte Carlo (MCMC) have been applied to design an optic to image Z-pinch plasmas on the Z Machine at Sandia National Laboratories. methods are tested to design an appropriate cost function for this search, and to reduce computational cost to search the parameter space efficiently.

关键词： x-ray optics multilayer coatings plasma diagnostics high energy density optimization

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Contrast enhancement of propagation based x-ray phase contrast imaging 3

Contrast enhancement of propagation based X-ray phase contra...

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conference on advances in computational methods for x-ray optics III

作者： Pan, Adam xu, Ling Petruccelli, Jon C. Gupta, Rajiv Barbastathis, George MIT Dept Hlth Sci & Technol 77 Massachusetts Ave Cambridge MA 02139 USA SUNY Albany Dept Phys Albany NY 12222 USA Massachusetts Gen Hosp Dept Mech Engn Boston MA 02215 USA MIT Dept Mech Engn Cambridge MA 02139 USA MIT Allance Res & Technol SMART Ctr Singapore 138602 Singapore Shanghai Jiao Tong Univ Univ Michigan Joint Inst Shanghai 200240 Peoples R China

ISBN: (纸本)9781628412369

We demonstrate a quantitative x-ray phase contrast imaging (xPCI) technique derived from propagation dependent phase change. We assume that the absorption and phase components are correlated and solve the Transport of Intensity Equation (TIE). The experimental setup is simple compared to other xPCI techniques;the only requirements are a micro-focus x-ray source with sufficient temporal coherence and an x-ray detector of sufficient spatial resolution. This method was demonstrated in three scenarios, the first of which entails identification of an index-matched sphere. A rubber and nylon sphere were immersed in water and imaged. While the rubber sphere could be plainly seen on a radiograph, the nylon sphere was only visible in the phase reconstruction. Next, the technique was applied to differentiating liquid samples. In this scenario, three liquid samples (acetone, water, and hydrogen peroxide) were analyzed using both conventional computed tomography (CT) and phase contrast CT. While conventional CT was capable of differentiating between acetone and the other two liquids, it failed to distinguish between water and hydrogen peroxide;only phase CT was capable of differentiating all three samples. Finally, the technique was applied to CT imaging of a human artery specimen with extensive atherosclerotic plaque. This scenario demonstrated the increased sensitivity to soft tissue compared to conventional CT;it also uncovered some drawbacks of the method, which will be the target of future work. In all cases, the signal-to-noise ratio of phase contrast was greatly enhanced relative to conventional attenuation-based imaging.

关键词： Phase retrieval transport of intensity x-ray imaging

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Flexible optical layouts based on cylindrical mirrors with sagittal curvature for high-stability beamlines 5

Flexible optical layouts based on cylindrical mirrors with s...

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conference on advances in computational methods for x-ray optics V

作者： Luiz, Sergio A. L. Pinto, Artur C. Junior, Humberto R. Meyer, Bernd C. Zeri, Ana C. Meneau, Florian Malfatti-Gasperini, Antonio A. Soares, Marcio M. Calligaris, Guilherme A. Candido, Luciano B. Westfahl Jr, Harry Brazilian Ctr Res Energy & Mat CNPEM Brazilian Synchrotron Light Lab LNLS Rua Giuseppe Maximo Scolfaro 1000 BR-13083970 Campinas Brazil Univ Fed Paraiba Dept Fis BR-58051970 Joao Pessoa Paraiba Brazil

ISBN: (数字)9781510637931

ISBN: (纸本)9781510637931;9781510637924

Cylindrical mirrors with sagittal curvature are known for non-ideal focusing due to strong aberrations. However, the small emittance of undulator sources at new upcoming fourth-generation synchrotrons causes the footprint of the beam on a sagittal cylinder to be small enough to permit almost aberration-free focusing. The use of side deflecting sagittal cylinders in the optical design of synchrotron beamlines brings advantages to the beam performance: a) it improves stability, because horizontal plane is less affected by ground vibrations, b) it keeps the beam height with respect to the floor, c) the beam is less sensitive to slope errors in the sagittal plane. Furthermore, a sagittal cylinder in combination with a meridional cylinder or ellipse allows the change of focal spot size and position. In this work, we present the optical scheme of three beamlines including sagittal cylinders for the fourth-generation synchrotron SIRIUS. In MANACA beamline (protein crystallography) a sagittal cylinder and a meridional ellipse face each other in the horizontal plane. By changing the incidence angle of both mirrors in the same direction beam size at sample can be changed from 10 to 100 mu m. In SAGUI beamline (SAxS and xRD) both mirrors face the same direction. Changing the incidence angle in opposite direction enables to change the focus position by tens of meters. In CATERETE beamline (Coherent Diffraction Imaging) the two mirrors face each other to create a highly coherent plane wave with a focal spot of 40 mu m. We compare the performance of each beamline with their ideal optics counterpart, using wave propagation simulations (SRW).

关键词： x-ray optics sagittal cylindrical mirror wave propagation stability

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