Simulating the optical performances of the ATHENA x-ray telescope optics

The ATHENA (Advanced Telescope for High Energy Astrophysics) X-ray observatory is an ESA-selected L2 class mission. In the proposed configuration, the optical assembly has a diameter of 2.2 m with an effective area of 1.4 m2 at 1 keV, 0.25 m2 at 6 keV, and requires an angular resolution of 5 arcsec. To meet the requirements of effective area and angular resolution, the technology of Silicon Pore Optics (SPO) was selected for the optics implementation. The ATHENA's optic assembly requires hundreds of SPOs mirror modules (MMs), obtained by stacking wedged and ribbed silicon wafer plates onto silicon mandrels to form the Wolter-I configuration. Different factors can contribute to limit the imaging performances of SPOs, such as i) diffraction through the pore apertures, ii) plate deformations due to fabrication errors and surface roughness, iii) alignment errors among plates in an MM, and iv) co-focality errors within the MMs assembly. In order to determine the fabrication and assembling tolerances, the impact of these contributions needs to be assessed prior to manufacturing. A set of simulation tools responding to this need was developed in the framework of the ESA-financed projects SIMPOSIuM and ASPHEA. In this paper, we present the performance simulation obtained for the recentlyproposed ATHENA configuration in terms of effective area, and we provide a simulation of the diffractive effects in a pair of SPO MMs. Finally, we present an updated sizing of magnetic diverter (a Halbach array) and the magnetic fields levels that can be reached in order to deviate the most energetic protons out of the detector field

Optical simulations for design, alignment, and performance prediction of silicon pore optics for the ATHENA x-ray telescope

The ATHENA X-ray observatory is a large-class ESA approved mission, with launch scheduled in 2028. The technology of silicon pore optics (SPO) was selected as baseline to assemble ATHENA's optic with hundreds of mirror modules, obtained by stacking wedged and ribbed silicon wafer plates onto silicon mandrels to form the Wolter-I configuration. In the current configuration, the optical assembly has a 3 m diameter and a 2 m2 effective area at 1 keV, with a required angular resolution of 5 arcsec. The angular resolution that can be achieved is chiefly the combination of 1) the focal spot size determined by the pore diffraction, 2) the focus degradation caused by surface and profile errors, 3) the aberrations introduced by the misalignments between primary and secondary segments, 4) imperfections in the co-focality of the mirror modules in the optical assembly. A detailed simulation of these aspects is required in order to assess the fabrication and alignment tolerances; moreover, the achievable effective area and angular resolution depend on the mirror module design. Therefore, guaranteeing these optical performances requires: a fast design tool to find the most performing solution in terms of mirror module geometry and population, and an accurate point spread function simulation from local metrology and positioning information. In this paper, we present the results of simulations in the framework of ESA-financed projects (SIMPOSiuM, ASPHEA, SPIRIT), in preparation of the ATHENA X-ray telescope, analyzing the mentioned points: 1) we deal with a detailed description of diffractive effects in an SPO mirror module, 2) we show ray-tracing results including surface and profile defects of the reflective surfaces, 3) we assess the effective area and angular resolution degradation caused by alignment errors between SPO mirror module's segments, and 4) we simulate the effects of co-focality errors in X-rays and in the UV optical bench used to study the mirror module alignment and integration

Optical design and performance simulations for the 1.49 keV beamline of the BEaTriX X-ray facility

The BEaTriX (Beam Expander Testing X-ray) facility, now operational at INAF-Brera Astronomical Observatory, will represent a cornerstone in the acceptance roadmap of Silicon Pore Optics (SPO) mirror modules, and will so contribute to the final angular resolution of the ATHENA X-ray telescope. By expansion and collimation of a microfocus X-ray source via a paraboloidal mirror, a monochromation stage, and an asymmetric crystal, BEaTriX enables the full-aperture illumination of an SPO mirror module with a parallel, monochromatic, and broad (140 mm × 60 mm) X-ray beam. The beam then propagates in a 12 m vacuum range to image the point spread function of the mirror module, directly on a focal plane camera. Currently the 4.51 keV beamline, based on silicon crystals, is operational in BEaTriX. A second beamline at 1.49 keV, which requires a separate paraboloidal mirror and organic crystals (ADP) for beam expansion, is being realized. As for monochromators, the current design is based on asymmetric quartz crystals. In this paper, we show the current optical design of the 1.49 keV beamline and the optical simulations carried out to predict the achievable performances in terms of beam collimation, intensity, and uniformity. In the next future, the simulation activity will allow us to determine manufacturing and alignment tolerances for the optical components

X-ray tests of the ATHENA mirror modules in BEaTriX: from design to reality

The BEaTriX (Beam Expander Testing X-ray) facility is now operative at the INAF-Osservatorio Astronomico Brera (Merate, Italy). This facility has been specifically designed and built for the X-ray acceptance tests (PSF and Effective Area) of the ATHENA Silicon Pore Optics (SPO) Mirror Modules (MM). The unique setup creates a parallel, monochromatic, large X-ray beam, that fully illuminates the aperture of the MMs, generating an image at the ATHENA focal length of 12 m. This is made possible by a microfocus X-ray source followed by a chain of optical components (a paraboloidal mirror, 2 channel cut monochromators, and an asymmetric silicon crystal) able to expand the X-ray beam to a 6 cm × 17 cm size with a residual divergence of 1.5 arcsec (vertical) × 2.5 arcsec (horizontal). This paper reports the commissioning of the 4.5 keV beam line, and the first light obtained with a Mirror Module

First light of BEaTriX, the new testing facility for the modular X-ray optics of the ATHENA mission

Aims: The Beam Expander Testing X-ray facility (BEaTriX) is a unique X-ray apparatus now operated at the Istituto Nazionale di Astrofisica (INAF), Osservatorio Astronomico di Brera (OAB), in Merate, Italy. It has been specifically designed to measure the point spread function (PSF) and the effective area (EA) of the X-ray mirror modules (MMs) of the Advanced Telescope for High-ENergy Astrophysics (ATHENA), based on silicon pore optics (SPO) technology, for verification before integration into the mirror assembly. To this end, BEaTriX generates a broad, uniform, monochromatic, and collimated X-ray beam at 4.51 keV. The beam collimation is better than a few arcseconds, ensuring reliable tests of the ATHENA MMs, in their focus at a 12 m distance. Methods: In BEaTriX, a micro-focus X-ray source with a titanium anode is placed in the focus of a paraboloidal mirror, which generates a parallel beam. A crystal monochromator selects the 4.51 keV line, which is expanded to the final size by a crystal asymmetrically cut with respect to the crystalline planes. An in-house-built Hartmann plate was used to characterize the X-ray beam divergence, observing the deviation of X-ray beams from the nominal positions, on a 12-m-distant CCD camera. After characterization, the BEaTriX beam has the nominal dimensions of 170 mm × 60 mm, with a vertical divergence of 1.65 arcsec and a horizontal divergence varying between 2.7 and 3.45 arcsec, depending on the monochromator setting: either high collimation or high intensity. The flux per area unit varies from 10 to 50 photons/s/cm2 from one configuration to the other. Results: The BEaTriX beam performance was tested using an SPO MM, whose entrance pupil was fully illuminated by the expanded beam, and its focus was directly imaged onto the camera. The first light test returned a PSF and an EA in full agreement with expectations. As of today, the 4.51 keV beamline of BEaTriX is operational and can characterize modular X-ray optics, measuring their PSF and EA with a typical exposure of 30 min. Another beamline at 1.49 keV is under development and will be integrated into the current equipment. We expect BEaTriX to be a crucial facility for the functional test of modular X-ray optics, such as the SPO MMs for ATHENA

Existence and Characterization of HOO-HOOOH Radical-Molecule Complexes: A Computational Study

Ab initio calculations at the UMP2/6-311++G(2d,2p) and CCSD(T) levels are used to analyze the interactions in complexes pairing the hydroperoxyl radical (HOO) with dihydrogen trioxide (HOOOH). The structures obtained are analyzed by the Atoms in Molecules (AIM) and Natural Bond Orbital (NBO) methodologies. Six minima were located on the potential energy surface, with stabilization energies in the range between 12 and 26 kJ mol−1. Red shifts of OH bonds in HOO and HOOOH moieties upon complex formation lie in the ranges between 90–330 cm−1 and 90–270 cm−1, respectively

A computational study of dimers and trimers of nitrosyl hydride: Blue shift of NH bonds that are involved in H-bond and orthogonal interactions

Ab initio calculations at MP2/aug-cc-pVTZ level were used to analyze the interactions between nitrosyl hydride (HNO) dimers and trimers. The structures obtained have been analyzed with the Atoms in Molecules (AIMs) and Natural Bond Orbital (NBO) methodologies. Four minima were located on the potential energy surface of the dimers. Nine different structures have been obtained for the trimers. Three types of interactions are observed, NH⋯N and NH⋯O hydrogen bonds and orthogonal interaction between the lone pair of the oxygen with the electron-deficient region of the nitrogen atom. Stabilization energies of dimers and trimers including BSSE and ZPE are in the range 4-8 kJ mol-1 and 12-19 kJ mol-1, respectively. Blue shift of NH bond upon complex formation in the ranges between 30-80 and 14,114 cm-1 is predicted for dimers and trimers, respectively. © 2009 Elsevier B.V. All rights reserved.Peer Reviewe