Beamline simulations using monochromators with high d-spacing crystals.

Monochromators for synchrotron radiation beamlines typically use perfect crystals for the hard X-ray regime and gratings for soft X-rays. There is an intermediate range, typically 1-3 keV (tender X-rays), which common perfect crystals have difficulties covering and gratings have low efficiency, although some less common crystals with high d-spacing could be suitable. To evaluate the suitability of these crystals for a particular beamline, it is useful to evaluate the crystals' performance using tools such as ray-tracing. However, simulations for double-crystal monochromators are only available for the most used crystals such as Si, Ge or diamond. Here, an upgrade of the SHADOW ray-tracing code and complementary tools in the OASYS suite are presented to simulate high d-spacing crystals with arbitrary, and sometimes complex, structures such as beryl, YB66, muscovite, etc. Isotropic and anisotropic temperature factors are also considered. The YB66 crystal with 1936 atomic sites in the unit cell is simulated, and its applicability for tender X-ray monochromators is discussed in the context of new low-emittance storage rings.

Tunable side-bounce monochromator.

Side-bounce beamlines with fixed-exit angles have been intended to operate with only one selected energy. However, a tunable monochromator in a new geometry is presented here that will make side-bounce beamlines energy tunable. It requires the addition of two more rotations. Analytic solutions for the values of these two rotation angles are provided. The validity of the new concept was checked by ray tracing and two-dimensional searches in the additional angles. Operational details on the new scheme, including the exit offset and steering of the beams, were determined. In addition to tunability, the new monochromator will reduce the loss from the polarization factor at low energies.

A simple method for mitigating error in the fixed-offset of a double-crystal monochromator.

In order to maintain a constant monochromatic synchrotron X-ray beam height for all energies, the separation between the crystals of a double-crystal monochromator is typically adjusted, via translation of the second crystal, while X-ray energy is varied, via rotation of the crystal pair. The ability to accurately translate the second crystal requires precise knowledge of the separation between the two crystals and, when present, crystal miscuts. Here, a simple method for calibrating the crystal gap from measured variation in the X-ray beam height that eliminates error in the fixed beam offset is provided.

A middle energy-bandwidth X-ray monochromator for high-flux synchrotron diffraction: revisiting asymmetrically cut silicon crystals.

To supply the growing demand for high photon flux in synchrotron science including surface diffraction, a middle energy-bandwidth monochromator covering the 10-4 to 10-3 range has been adapted by applying an asymmetric diffraction geometry to a cryogenically cooled silicon 111 double-crystal monochromator used as a standard for the undulator source at SPring-8. The asymmetric geometry provides a great advantage with its ability to configure flux gains over a wide energy range by simply changing the asymmetry angle, while the angular divergence of the exit beam remains unchanged. A monolithic design with three faces has been employed, having one symmetrically cut and another two asymmetrically cut surfaces relative to the same atomic plane, maintaining cooling efficiency and the capability of quickly changing the reflection surface. With the asymmetric geometry, an X-ray flux greater than 1014 photons s-1 was available around 12 keV. A maximum gain of 2.5 was obtained relative to the standard symmetric condition.

Performance of nearly fixed offset asymmetric channel-cut crystals for X-ray monochromators.

X-ray double-crystal monochromators face a shift of the exit beam when the Bragg angle and thus the transmitted photon energy changes. This can be compensated for by moving one or both crystals accordingly. In the case of monolithic channel-cut crystals, which exhibit utmost stability, the shift of the monochromated beam is inevitable. Here we report performance tests of novel, asymmetrically cut, channel-cut crystals which reduce the beam movements by more than a factor of 20 relative to the symmetric case over the typical energy range of an EXAFS spectrum at the Cu K-edge. In addition, the presented formulas for the beam offset including the asymmetry angle directly indicate the importance of this value, which has been commonly neglected so far in the operation of double-crystal monochromators.

Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution.

Neutron spectroscopy uniquely and non-destructively accesses diffusive dynamics in soft and biological matter, including for instance proteins in hydrated powders or in solution, and more generally dynamic properties of condensed matter on the molecular level. Given the limited neutron flux resulting in long counting times, it is important to optimize data acquisition for the specific question, in particular for time-resolved (kinetic) studies. The required acquisition time was recently significantly reduced by measurements of discrete energy transfers rather than quasi-continuous neutron scattering spectra on neutron backscattering spectrometers. Besides this reduction in acquisition times, smaller amounts of samples can be measured with better statistics, and most importantly, kinetically changing samples, such as aggregating or crystallizing samples, can be followed. However, given the small number of discrete energy transfers probed in this mode, established analysis frameworks for full spectra can break down. Presented here are new approaches to analyze measurements of diffusive dynamics recorded within fixed windows in energy transfer, and these are compared with the analysis of full spectra. The new approaches are tested by both modeled scattering functions and a comparative analysis of fixed energy window data and full spectra on well understood reference samples. This new approach can be employed successfully for kinetic studies of the dynamics focusing on the short-time apparent center-of-mass diffusion.