This PDF file contains the front matter associated with SPIE Proceedings Volume 8141, including the Title Page, Copyright Information, Table of Contents, Introduction, and the Conference Committee listing.

Modern hard x-ray scanning microscopes generate x-ray beams with lateral sizes well below 100 nm. Characterizing these beams in terms of shape and size by conventional techniques is tedious, requires highly accurate test objects and stages, and yields only incomplete information. Since recently, we use a ptychographic scanning coherent diffraction imaging technique in order to characterize hard x-ray nano beams in x-ray scanning microscopes, obtaining a detailed quantitative picture of the complex wave field in the nano focus and allowing one to reconstruct the exit wave field behind the nano-focusing optic, giving detailed insight into its aberrations.

We present a method for the propagation of partially coherent radiation using coherent mode decomposition and wavefront propagation. The radiation field is decomposed into a sum of independent coherent modes. Each mode is then propagated separately using conventional wavefront propagation techniques. The summation of these modes in the plane of observation gives the coherence properties of the propagated radiation. As an example, we analyze propagation of partially coherent radiation transmitted through a single circular aperture.

Partially-coherent wavefront propagation calculations have proven to be feasible and very beneficial in the design of beamlines for 3rd and 4th generation Synchrotron Radiation (SR) sources. These types of calculations use the framework of classical electrodynamics for the description, on the same accuracy level, of the emission by relativistic electrons moving in magnetic fields of accelerators, and the propagation of the emitted radiation wavefronts through beamline optical elements. This enables accurate prediction of performance characteristics for beamlines exploiting high SR brightness and/or high spectral flux. Detailed analysis of radiation degree of coherence, offered by the partially-coherent wavefront propagation method, is of paramount importance for modern storage-ring based SR sources, which, thanks to extremely small sub-nanometer-level electron beam emittances, produce substantial portions of coherent flux in X-ray spectral range. We describe the general approach to partially-coherent SR wavefront propagation simulations and present examples of such simulations performed using "Synchrotron Radiation Workshop" (SRW) code for the parameters of hard X-ray undulator based beamlines at the National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory. These examples illustrate general characteristics of partially-coherent undulator radiation beams in low-emittance SR sources, and demonstrate advantages of applying high-accuracy physical-optics simulations to the optimization and performance prediction of X-ray optical beamlines in these new sources.

Advances at SR sources in the generation of nanofocused beams with a high degree of transverse coherence call for effective techniques to simulate the propagation of partially coherent X-ray beams through complex optical systems in order to characterize how coherence properties such as the mutual coherence function (MCF) are propagated to the exit plane. Here we present an approach based on Monte Carlo sampling of the Green function. A Gauss-Shell Stochastic Source with arbitrary spatial coherence is synthesized by means of the Gaussian copula statistical tool. The Green function is obtained by sampling Huygens-Fresnel waves with Monte Carlo methods and is used to propagate each source realization to the detector plane. The sampling is implemented with a modified Monte Carlo ray tracing scheme where the optical path of each generated ray is stored. Such information is then used in the summation of the generated rays at the observation plane to account for coherence properties. This approach is used to simulate simple models of propagation in free space and with reflective and refractive optics.

This paper presents the outcome of ray tracing simulations for different optical schemes to be setup at the European X-ray Free Electron Laser facility (XFEL.EU), Germany: one- or two- channel (cut) crystal X-ray monochromators (K-Mono; using spontaneous radiation) are planned and designed mainly for photon beam based alignment, which is gap tuning of the undulator segments and phase tuning of the phase shifters during commissioning and maintenance of the undulators. The coherent SASE (Self Amplified Spontaneous Emission) radiation will be monitored pulse-resolved by single-shot spectrometers of which two types are investigated: i) a three element spectrometer, design proposed by Yabashi et al., which consists of a curved focusing mirror, followed by a flat analyzer crystal and a 2D-detector.ii) a two element spectrometer based on a reflection zone plate that reflects and focuses in one step, and a 2D-detector (currently under development).

We present a new software project aimed at development of a novel and unique software environment, suited and capable of solving a wide set of X-ray FEL optics problems. The complex of programs is based upon libraries of the Synchrotron Radiation Workshop (SRW) package. The software can be used by XFEL experimental groups for developing scientific instruments, planning experiments and processing experimental data. Specific examples of applications of FEL wavefront propagation simulations are presented: modeling of edge radiation at the soft X-ray FEL facility FLASH and of the wavefront propagation through grazing incidence optics of the hard X-ray beamlines of the European XFEL. Possible ways for parallelization of calculations are also discussed.

A software system has been developed for high-performance Computed Tomography (CT) reconstruction, simulation and other X-ray image processing tasks utilizing remote computer clusters optionally equipped with multiple Graphics Processing Units (GPUs). The system has a streamlined Graphical User Interface for interaction with the cluster. Apart from extensive functionality related to X-ray CT in plane-wave and cone-beam forms, the software includes multiple functions for X-ray phase retrieval and simulation of phase-contrast imaging (propagation-based, analyzer crystal based and Talbot interferometry). Other features include several methods for image deconvolution, simulation of various phase-contrast microscopy modes (Zernike, Schlieren, Nomarski, dark-field, interferometry, etc.) and a large number of conventional image processing operations (such as FFT, algebraic and geometrical transformations, pixel value manipulations, simulated image noise, various filters, etc.). The architectural design of the system is described, as well as the two-level parallelization of the most computationally-intensive modules utilizing both the multiple CPU cores and multiple GPUs available in a local PC or a remote computer cluster. Finally, some results about the current system performance are presented. This system can potentially serve as a basis for a flexible toolbox for X-ray image analysis and simulation, that can efficiently utilize modern multi-processor hardware for advanced scientific computations.

Penetration, micro-resolution, and scattering were the keywords of x-ray analyses in the 20th century. Over the last 15 years, a great class of coherent imaging techniques has emerged as new tools, allowing for low-dose imaging of biological specimen on the nanoscale. Apart from experimental and technical challenges, a better understanding of partially coherent beam propagation is the key for exploiting the new methods' full performance. We present a simulation framework to calculate the mutual intensity and the degree of spatial coherence of typical x-ray focusing and filtering devices used at 3rd generation synchrotron radiation sources. We propose the following modeling scheme: A set of independent point-sources yield independent basic fields, which are superposed in a stochastic manner; by taking the ensemble average, both partially coherent intensity and degree of coherence can be obtained from the mutual intensity. By including real structure effects, like height deviations of focusing mirrors, and vibration of optical components, advanced predictions of x-ray beams can be made. This knowledge is expected to improve reconstruction results from coherent imaging experiments. Coherence simulations of focusing mirrors are presented and validated with analytical results as well as with experimental tests. Coherence filtering by use of x-ray waveguides is shown numerically. We also present first simulations for partially coherent focusing by compound refractive lenses.

Polycapillary optics consist of hundreds of thousands of tiny hollow tubes that utilize total external reflection to redirect x-rays incident at grazing angles. These optics have been developed for various applications, from beam filtering to x-ray collimating or focusing. A fully three-dimensional Monte-Carlo-based ray-tracing simulation of polycapillary optics has been developed to model a variety of optics geometries. Good agreement to experimental data was found with a small number of fitting parameters.

The software package PHASE includes routines for the propagation of coherent light within the stationary phase approximation (SPA). The code is based on a nonlinear analytic transformation of electric field arrays across longitudinally extended optical elements in normal and grazing-incidence geometries. Recently, the representation of the optical elements (OEs) has been extended to 8th-order polynomials in the OE-coordinates. Strongly curved mirror surfaces can be treated and systematic fabrication errors can be modeled up to 8th order. Each element is represented by an individual matrix and the combination of several elements is accomplished by simple matrix multiplications. The SPA-method can be interpreted as a thick lens approximation, whereas the Fourier Optics algorithm deals with thin lenses. Both methods have advantages and disadvantages. Recently, the PHASE package has been extended to Fourier Optics methods. The appropriate propagator or even a combination of different propagators can be selected from the same interface, which is running under IDL. This permits a one-by-one comparison of both methods via the same interface, which helps to evaluate the advantages and limitations of both methods.

we present the developments of the McXtrace project, a free, open source software package based on Monte Carlo ray tracing for simulations and optimisation of complete X-ray instruments. The methodology of building a simulation is presented through an example beamline, namely Beamline 811 at MAX-lab, Lund, Sweden - a beamline dedicated to materials science.

The X-ray emission of the HU52 Apple2 undulator of the SOLEIL DEIMOS (Dichroism Experimental Installation for Magneto-Optical Spectroscopy) beamline is analyzed using the Bragg diffraction of a Si(111) crystal at various undulator gaps in linear horizontal polarization. Measurements are compared with simulations in order to determine undulator properties. The method allows also to get information on the electron beam.

The coherent soft x-ray and full polarization control (CSX) beamline at the National Synchrotron Light Source - II (NSLS-II) will deliver 1013 coherent photons per second in the energy range of 0.2-2 keV with a resolving power of 2000. The source, a dual elliptically polarizing undulator (EPU), and beamline optics should be optimized to deliver the highest possible coherent flux in a 10-30 μm spot for use in coherent scattering experiments. Using the computer code Synchrotron Radiation Workshop (SRW), we simulate the photon source and focusing optics in order to investigate the conditions which provide the highest usable coherent intensity on the sample. In particular, we find that an intermediate phasing magnet is needed to correct for the relative phase between the two EPUs and that the optimum phase setting produces a spectrum in which the desired wavelength is slightly red-shifted thus requiring a larger aperture than originally anticipated. This setting is distinct from that which produces an on-axis spectrum similar to a single long undulator. Furthermore, partial coherence calculations, utilizing a multiple electron approach, indicate that a high degree of spatial coherence is still obtained at the sample location when such an aperture is used. The aperture size which maximizes the signal-to-noise ratio of a double-slit experiment is explored. This combination of high coherence and intensity is ideally suited for x-ray ptychography experiments which reconstruct the scattering density from micro-diffraction patterns. This technique is briefly reviewed and the effects on the image quality of proximity to the beamline focus are explored.

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 microsecond time scales. In general, the 10-fold increase in brightness of the NSLS-II, compared to other sources, will allow for measurements of dynamics on time-scales that are two orders of magnitude faster than what is currently possible. We also conclude that the common approximations used in evaluating the transverse coherence length would not be sufficiently accurate for the calculation of the coherent properties of an undulator-based beamline, and a thorough beamline optimization at a low-emittance source such as the NSLS-II requires a realistic wave-front propagation analysis.

Convenience and cost often lead to synchrotron beamlines where the final bendable Kirkpatrick-Baez focusing pair must relay the final image to different samples at different image distances e.g., [Proc. FEL2009, 246-249 (2009)] either for different experimental chambers, or diagnostics. We present an initial analytical approach, starting from, and extending the work of Howells et al. [OE 39(10), 2748-62 (2000)] to analyze the trade-offs between choice of mirror, bending couples and the given, shaped sagittal width of the optic. Both experimentally and in simulation, we have found that after an appropriate re-bending, sagittally shaped optics can perform with high quality at significantly different incidence angles and conjugate distances. We present one successful demonstration from the ALS Optical Metrology Beamline 5.3.1, and review some new closed form analytical solutions with a view towards understanding our results.

The Sub-micron Resolution X-ray spectroscopy (SRX) beamline will benefit from the ultralow emittance of the National Synchrotron Light Source II to address a wide variety of scientific applications studying heterogeneous systems at the sub-micrometer scale. This work focuses on the KB branch (ΔE: 4.65-28 keV). Its main optical components include a horizontally focusing mirror forming an adjustable secondary source, a horizontally deflecting monochromator and two sets of Kirkpatrick-Baez mirrors as focusing optics of two distinct inline stations for operations requiring either high flux or high resolution. In the first approach, the beamline layout was optimized with ray-tracing calculations involving Shadowvui computer codes. As a result, the location and characteristics of optics were specified for achieving either the most intense or the smallest monochromatic beam possible on the target (10¹³ ph/s or 10¹² ph/s respectively in a 500 nm or 65 nm focal spot). At the nanoprobe station, the diffraction limited focusing of X-rays is governed by the beam coherence. Hence, a classical geometric approach is not anymore adapted. To get reliable estimates of the Nanoprobe performances, a wavefront propagation study was performed using Synchrotron Radiation Workshop (SRW) code. At 7.2 keV, calculations show an intense (10¹² ph/s) 67 nm wide diffraction limited spot achieved with actual metrological data of mirrors.

The ray-tracing is power-full technique for the design and the prediction of the performances of an X-Ray optics. When working with traditional monolithic shells, the possible design is quite constrained once fixed the focal length, the dimensions of the module and the field of view: simulations are used to determine the effective area and optical performances of realized mandrels and shells, taking into account for example profile errors or roundness measurements. Instead, when the optics are segmented into two separate reflective surface, integration errors with respect to position and rotation of the plates play an important role and may be also used to recover intrinsic plate errors. Moreover when the mirror segments are produced by replica, it is possible to optimize the design of a module to be cost effective. In this paper we present the design of a prototype module for the International X-ray Observatory (IXO) resulting from a proprietary ray tracing code. The module will be composed by 20 plate pairs all made with the same integration forming mandrel. The degradation of optical performances of the prototype are expected to be limited to few arc seconds.

Numerical simulation of the performance of new beamlines and those under upgrade requires sophisticated and reliable information about the expected surface slope and height distributions of planned x-ray optics before they are fabricated. Obtaining such information should be based on the metrology data measured from existing mirrors that are made by the same vendor and technology, but, generally, with different sizes, slope and height rms variations. In this work, we demonstrate a method for highly reliable forecasting of the expected surface slope distributions of the prospective x-ray optics. The method is based on an autoregressive moving average (ARMA) modeling of the slope measurements with a limited number of parameters. With the found parameters of the ARMA model, the surface slope profile of an optic with the newly desired specification can reliably be forecast. We demonstrate the high accuracy of this type of forecasting by comparing the power spectral density distributions of the measured and forecast slope profiles.

Systematic error and instrumental drift are the major limiting factors of sub-microradian slope metrology with state-of-the-art x-ray optics. Significant suppression of the errors can be achieved by using an optimal measurement strategy suggested in [Rev. Sci. Instrum. 80, 115101 (2009)]. Here, we report on development of an automated, kinematic, rotational system that provides fully controlled flipping, tilting, and shifting of a surface under test. The system is to be integrated into the Advanced Light Source long trace profiler, LTP-II, allowing for complete realization of the advantages of the optimal measurement strategy method. We describe in detail the system's specification, design operational control and data acquisition. The performance of the system is demonstrated via the results of high precision measurements with a number of super-polished mirrors.

This paper present the advance in X-ray optics performances prediction achieved by means of a advantageous synergy between the TraceIT ray-tracing code, capable to take into account the mirror shells shape error, and an opportune mirror shells 3D metrology. The trend for future X-ray missions is to make use of optical modules working in grazing incidence whose mirror shells are characterized by large diameters and small thickness. The floppiness of these mirrors induces noticeable shape errors and a consequent degradation of the optical quality. It is hence crucial to have a simulation tool capable to evaluate these errors impact on the mirror optical quality at the focal plane and, of course, a metrological machine capable to characterize the shell 3D shape. The synergy between these two contributions, accurate 3D mirror shells metrology and TraceIT ray-tracing, offers us the possibility to simulate the quality of an optical surface within an uncertainty of 1 arcsec. This work shows the TraceIT code structure and its advantages, a brief description of the adopted metrological machine and an example of their synergised applications: the evaluation of the optical quality of a prototypal mirror shell and an estimation of the committed in this evaluation caused by the metrological error.

Ray tracing simulations are often performed for an ideal situation of perfect alignment, but it is usually necessary to move optical components for various reasons. The mounts that hold these components can be complicated and modeling their motion is vital to understanding how they affect the performance of the system. This paper examines the behaviour of a six-strut kinematic mount using MapleSim to investigate and understand precisely how a mirror pole moves with its mount and quantify any cross-coupled motion that may occur during actuator adjustments. This positional information can be used to mitigate errors, improve ray tracing results, and assist in alignment.

Theoretical analysis of high-energy-resolution x-ray optics, such as backscattering and four-bounce monochromators and analyzers, has been carried out using computer modeling within the framework of the dynamical theory of x-ray diffraction. This analysis identifies several important techniques for the precise alignment and determination of the energy and bandwidth of the monochromators. The destructive contribution of multiple-wave diffraction to the scattering intensity of x-ray backscattering optics has also been analyzed in details. An important method has been identified which allows this destructive contribution to be avoided.

A point-to-point x-ray focusing of a spherical wave by means of cylindrically bent crystal in symmetric Bragg back diffraction geometry was investigated theoretically and simulated numerically. To separate the focal plane from an incident x-ray beam, a thin flat crystal was introduced into the setup. The effect of flat crystal diffraction on the focusing performance of the double crystal setup is discussed. It is shown that the aberration free focusing can be achieved with aspherical surface shape of the strongly bent crystal. A correction term for the surface displacement function free from spherical aberrations is derived. Thorough numerical simulations demonstrated agreement with the theoretical analysis and excellent focusing performance of 2.4 nm. Theoretically, the demonstrated result can be further improved almost by an order of magnitude.

At XFEL sources, coherent and time-resolved experiments will strongly depend on the properties of the incoming radiation passed through beamline optical elements to experimental stations. We investigate analytically and make numerical modeling of SASE pulse propagation through optical transport systems of hard X-ray FEL beamlines. The results on evolution of SASE XFEL pulses and its statistical properties during propagation through a double crystal monochromator in Bragg and Laue diffraction geometry are presented.

Recent advances in x-ray detection technology and diagnostic design have dramatically improved the ability of using x-ray imaging and spectroscopic diagnostics to accurately measure important parameters in magnetically confined and laser produced fusion plasmas. With these advancements, the detailed characterization of the diagnostic system properties has become ever more important. We present an overview of current and future x-ray diagnostic requirements for fusion plasmas and describe, in particular, diagnostic systems employing spherically bent crystals to resolving characteristic x-ray lines from trace impurities with energies in the range 1-20keV. The requirements and challenges for the simulation of existing and planned diagnostic installations and are discussed.

The diffraction of an X-ray wavefront from a slightly distorted crystal can be modeled by the Takagi-Taupin theory, an extension of the well-known dynamical diffraction theory for perfect crystals. Maxwell's equations applied to a perturbed periodic medium yield two coupled differential equations in the incident and diffracted amplitude. These equations are discretized for numerical calculation into the determination of the two amplitudes on the points of an integration mesh, beginning with the incident amplitudes at the crystal's top surface. The result is a set of diffracted amplitudes on the top surface (in the Bragg geometry) or the bottom surface (in the Laue geometry), forming a wavefront that in turn can be propagated through free space using the Fresnel- Huygens equations. The performance of the Diamond Light Source I20 dispersive spectrometer has here been simulated using this method. Methods are shown for transforming displacements calculated by finite element analysis into local lattice distortions, and for efficiently performing 3-D linear interpolations from these onto the Takagi-Taupin integration mesh, allowing this method to be extended to crystals under thermal load or novel mechanical bender designs.

The diffraction profiles (or rocking curves) of sagittally bent Laue crystals are known to be significantly wider than those of perfect crystals as a result of the lattice distortion introduced by the sagittal bending. The existing analytical model explains the rocking curve broadening as well as the reflectivity observed. Many theoretical methods were developed for calculating diffraction profiles of meridionally (in the diffraction plane) bent crystals. In this work, we extend these methods to accommodate sagittally bent crystals. The total lattice distortion angle for anisotropic crystals under sagittal bending is adapted into the multi-lamellar approximation using the rotating crystal method, in which the incident angle changes through each lamella. The Penning-Polder theory is examined for bent crystals with the uniform strain gradient. In addition, the Takagi-Taupin equations are solved numerically for sagittally bent Laue crystals. Finally, examples of these simulation results are presented and the merit of each method is discussed.

The open source Bmad software library, developed at Cornell University, has proved to be a useful tool for accelerator simulations owing to its modular, object-oriented design. Bmad has been used to simulate the storage ring CESR for many years, and to design and analyze the proposed Cornell Energy Recovery Linac. Work is ongoing to expand Bmad in a number of directions. In particular, the ability to be able to do a combined simulation of accelerated charged-particle beams and the x-ray beams they create is being developed. Ultimately a complete framework for simulations from the gun cathode (including space-charge) to x-ray generation, to x-ray tracking through to the experimental end-stations is envisioned. The flexibility of Bmad is such that multiple propagation algorithms can be accommodated with the user selecting the appropriate algorithm for each individual element. To this end, the integration of Bmad with the SHADOW tracking code is in development.

A computer tool for the evaluation of the absorbed and re-scattered power from optical elements in a synchrotron beamline has been written using the Monte Carlo package PENELOPE. A precise estimation of this power is needed to assist in the design of the shielding inside the optical chambers that receive high power, like for the Upgrade Programme at the ESRF. The results for scattered power calculation are presented for three cases i) a Glidcop mirror for the SESAME Synchrotron, ii) a silicon crystal in use at the ESRF beamline ID06, and iii) a Laue crystal for the new monochromator of the ESRF ID17 beamline.

This work presents the recent developments of xraylib, an ANSI C library designed to provide convenient access to a large number of X-ray related databases, with a focus on quantitative XRF applications. The discussed enhancements include improved XRF production cross sections that take into account cascade effects and M-lines, as well as revised line energies, atomic level widths, Compton broadening profiles etc. A full overview is presented of the complete API.

Compound refractive lenses (CRL) are widely used to manipulate synchrotron radiation beams. Accurate modelling of X-ray beam propagation through individual lenses and through "transfocators" composed of a large number of CRLs is of high importance, since it allows for comprehensive optimization of X-ray beamline designs for particular user experiments. In this work we used the newly developed McXtrace ray-tracing package and the SRW wave-optics code to simulate the beam propagation of X-ray undulator radiation through such a "transfocator" as implemented at ID- 11 at ESRF. By applying two complementary simulation methods, we were able to obtain comparable results (e.g. the beam's focused properties) and also to provide a complete description of X-ray beam propagation through the CRLs and other optical components. However, some discrepancies between the results acquired by both methods (e.g. broader monochromatization degree obtained with the McXtrace code) brought a meaningful insight into further development strategies for the McXtrace package.

We developed the third version of SHADOW, a ray tracing software widely used to design optical system in the synchrotron world. SHADOW3 is written in Fortran 2003 and follows the new computer engineering standards. The users can always execute the program in the traditional file oriented approach. Moreover, advanced users can create personalized scripts, macros and executables using the new Application Programming Interface SHADOW3-API. It also allows binding of SHADOW3 with several popular programming languages such as C, C++, python and IDL. We describe the SHADOW3 API structure, and illustrate its use with some examples. We analyze the possibilities of running SHADOW3 in parallel machines under different environments. A version using the Open Message Parsing Interface has been implemented. A SHADOW3 postprocessor has been accelerated with the use Graphics Processing Units. This will open new possibilities to extend the already very popular ray tracing tool to applications simulating 2D and 3D experiments (like imaging, tomography)

Optical design of hard x-ray beamlines can be accurately performed through ray tracing simulation technique. We describe here the way and the tools we use at SOLEIL to develop hard x-ray beamlines such as PSICHÉ, which is a wiggler beamline performing diffraction and tomography experiments from 20 to 50 keV. This beamline is made of two focusing stages, one with a long vertical focusing mirror together with a sagittal focusing crystal monochromator to gain a spot of 100x50 μm and the other one applying a set of graded multilayer KB mirrors to reach 10x10 μm spot. Ray tracing simulations are performed with SpotX, which provides optical properties of the beamline taking into account thermal load on optics, surface polishing defects from the profilometer measurements.

The design of a synchrotron beamline is supported by various software simulation packages containing source simulation, characterization of X-ray optics, ray-tracing simulation and others separately. Beamline designers and operators often require instantly data of the beam parameter, which is only feasible with a unified and more user-friendly software package. The new developed toolkit is a first step in that direction. Photon flux, bandwidth, beam size and beam divergence are the chosen parameters used for the beamline design and optimization. A tool was developed, which allows scanning these parameters by changing any input parameter, for example the photon energy, the vertical mirror position or the horizontal slit size. A tabular input allows scanning with arbitrary parameters or even different file names (e.g. filter material, surface profile). We present two methods of calculating power density profiles on the optical components, one by ray-tracing and the other by transmission calculation using the DABAX library. The second method only considers flat optics, but is a good approximation and faster than the method based on ray-tracing. The validation of the developed tools is shown by a comparison of the simulated beam parameters and the measured ones, which was performed at the Crystallography Beamline (MX2) recently turned into operation at the Brazilian Synchrotron Light Source (LNLS). We report also the capability of the parameterized scanning method for the alignment of the optics during the commissioning phase of the beamlines.

XOP v2.4 consists of a collection of computer programs for calculation of radiation characteristics of X-ray sources and their interaction with matter. Many of the programs calculate radiation from undulators and wigglers, but others, such as X-ray tube codes, are also available. The computation of the index of refraction and attenuation coefficients of optical elements using user-selectable databases containing optical constants is an important part of the package for calculation of beam propagation. Coupled computations are thus feasible where the output from one program serves as the input to another program. Recent developments including enhancements to existing programs are described.

We present the conceptual design of a dispersive X-ray Absorption Fine Structure (XAFS) beamline for MIRRORCLE, a new compact laboratory X-ray source. This machine accelerates electrons up to 1,4,6 or 20MeV (depending upon the model) in a ring and produces X-rays when the electrons collide onto a thin target. The radiation emitted has a white spectrum due to both synchrotron and bremsstrahlung emission. A substantial part of the electrons are recovered after collisions, and the emitted light has high flux, wide energy spectrum and a large angular dispersion. We have opted for a simple beamline design using a collimator, slits, a curved crystal, the sample environment and a CCD. The beamline parameters (position of the mirror, ray of curvature, slit aperture, reflecting angle, etc.) have been optimized by defining and improving a figure of merit. This optimization allows for room constraints (distances among elements), mechanical constraints (minimum curvature radii available) and optical constraints. Further ray tracing simulations using SHADOW3 have been performed to check all the theoretical results, refine the final parameters, quantitative flux calculations and for simulating the image on the CCD camera.