1. 1 BROOKHAVEN SCIENCE ASSOCIATES Eric Dooryh é e and Andy Broadbent, Experimental Facilities Division, NSLS-II, with acknowledgements to the staff at ACCEL Instruments, and members of the BAT Experimental Facilities Advisory Committee Meeting April 23-24, 2009 The NSLS-II Powder Diffraction Beamline Design

2. 2 BROOKHAVEN SCIENCE ASSOCIATES Outline Introduction to Eric Dooryhée (XPD Group Leader) Scientific Mission and Requirements (Eric Dooryhée) End Station Beamline Design Iteration (Andy Broadbent) Current Optical Layout Issues and conclusions

3. 3 BROOKHAVEN SCIENCE ASSOCIATES Eric Dooryhée Past Employment June 1st, 2009NSLS II powder diffraction beamline 2001-2008senior scientist fellowship (Neel Institute, CNRS, FR) 1996-2000powder diffraction (ESRF BM16, now ID31) 1990-1995High energy ion and Laser Research Center (CNRS, FR) 1988-1989Post-doc powder diffraction (SRS Daresbury, UK) Research powder diffraction (SRS, ESRF, SOLEIL, neutrons ILL) ( in situ, line profile, direct space and Rietveld, upgrade of ESRF-BM02 ) epitaxial thin films/multilayers of oxides (ferroelectric, relaxor, magnetic) cultural heritage ( chair of “SR in Art and Archaeology” + IUCr commission )

4. 4 BROOKHAVEN SCIENCE ASSOCIATES Scientific Mission Use the brightness of NSLS II flux demanding - high throughput - high time resolution high angle resolution (structure solving, microstructure) beam focusing down to ~50μm (high spatial resolution) Use the high energy spectrum of the damping wiggler sample environments (non-ambient, in-situ, in-operando) high Q (PDF) on simultaneously operating side branch access K-edge of heavy elements (contrast diffraction)

5. 5 BROOKHAVEN SCIENCE ASSOCIATES Scientific Domains Complex materials Many atoms, heterogeneity, size and defects, poor scatterer Functional/real materials functioning: in-situ / in-operando studies Materials change structure under synthesis/operational conditions, e.g. catalysts, H 2 storage Towards real working devices, e.g., ultra-thin dielectric films, fuel cell electrodes Nanoscale materials Bottom up design and build of materials with directed functionality Hierarchical materials: control structure on different length-scales

6. 6 BROOKHAVEN SCIENCE ASSOCIATES First End Station Rotation stage for high energy resolution crystal analysers, 1µradian resolution 10µradian accuracy. Standardized interface plate, supports 35kg at the sample position. Custom Ge based strip detector with 100°coverage. 250µradian resolution on 0.5m radius. Support table for intermediate weight sample environments (~100kg) Robot for automated sample changing (not shown). Courtesy of SLS and ASP

7. 7 BROOKHAVEN SCIENCE ASSOCIATES SLS (MS)5 ESRF (ID31)9 (Ge to Si) (Hodeau et al. SPIE 1998) APS (11BM)12 ALBA13 SOLEIL (CRISTAL)21 DIAMOND (I11)45 (5 banks of 9) Courtesy of Chiu Tang DIAMOND High energy  Laue curved analyzer (see Zhong, Siddons, Hastings, Kao) Off-plane diffraction analyzer (patent 2007) High resolution (“multi-modal”)

8. 8 BROOKHAVEN SCIENCE ASSOCIATES many samples are inherently heterogeneous (multi-scale) beam size should match : graininess, heterogeneity scale, sample geometry  variable focal spot size imaging mode, micro-diffraction (~500 to ~50μm) ‏ total crystallography: neither a powder nor a single crystal High Energy Micro-Diffraction commercially available CRL set-up of Prof. Lengeler (Aachen)

9. 9 BROOKHAVEN SCIENCE ASSOCIATES Response to Comments from EFAC CommentResponse The EFAC is uncertain about the relationship of the BAT proposing PING to that proposing the High- Pressure, High-Energy X-ray Beamline [HiPHEX]. We recommend that these two communities engage in cooperative discussions if such discussions are not already underway. The efforts of HiPHEX and XPD are separate, but there is excellent communication because of the presence of Lars Ehm and Johs Parise on the XPD BAT. Lars' and John's research includes scattering experiments under high pressure and they are an integral part of the high pressure community that is responsible for HiPHEX. The main issue for HiPHEX is matching the beam characteristics with highly specialized special environments making those beamlines, and the ancillary equipment, tightly coupled. In that sense, there is little overlap between the high pressure and PING beamlines, except that a high pressure component of a broader materials study making use of PING may be carried out at HiPHEX. “…work done by Peter Siddons at the NSLS…is highly advantageous for the outcome [of the PING beamlines]… partnership of Siddons and the PING team has the possibility to leapfrog the state-of-the-art.” We recognize this opportunity. We already have some of Peter Siddons' innovations as probable components in the beamline design (pending testing). We will work closely with Peter Siddons over the upcoming years, especially with respect to fast, efficient, high energy strip detectors, and incorporate advances into our designs where possible. Referees comments (rather than EFAC directly). Concerns about the scientific justification for the PDF side station. The BAT consider that the greatest growth in powder diffraction over the next 5 years will take place in the area of PDF studies of nanomaterials, making the side ‐ station an essential component of the suite of instruments for materials studies. Having said this, the side ‐ station is currently part of the mature scope for the PING project. Although there are some doubts as to whether the PING beamlines will be “best in class,” there is widespread agreement that there is a high probability that the PING beamlines will allow the user community to achieve their important scientific objectives. The PING lines will be best in class because of the high fluxes and small beams with focusing in the horizontal and the vertical directions and ~50 micron spot size in the 50 ‐ 80 keV range. Coupled with the proposed integration of different beamlines envisaged in the MaDiS concept, there will be nowhere in the world better for complex material diffraction experiments.

10. 10 BROOKHAVEN SCIENCE ASSOCIATES Beamline Design Iteration Due to extensive changes in scientific objectives ACCEL were commissioned to revise the design to concentrate on the higher energies. The changes requested use both commercial experience and unique in-house expertise, and can be made within the existing budget. Active involvement of all members of the BAT in developing the beamline design. 2nd Beamline Scientist interviews in progress.

11. 11 BROOKHAVEN SCIENCE ASSOCIATES Conceptual Beamline Layout in use at NSLS X17 and tested at X7b Dr. Z. Zhong design

12. 12 BROOKHAVEN SCIENCE ASSOCIATES Damping Wiggler Power Management Full 7m damping wiggler length (65kW). Selective aperturing: central part of the fan has higher energies, restrict aperture to ~1mrad (H) x 0.1mrad (V), still leaves almost 6kW! Concentrating on the high energies allows extreme filtering: multistage C (5mm total) and Al (8mm total) filtering leaves just 280W, of which 21W is absorbed in the 0.5mm Si crystal; the cost is some loss of useful flux: –lose 64% of flux at 50 keV, and –lose 46% of flux at 80 keV.

13. 13 BROOKHAVEN SCIENCE ASSOCIATES After filtering, the Laue mono and CRLs.

14. 14 BROOKHAVEN SCIENCE ASSOCIATES Energy (keV)Flux (ph/sec)Beam size (µm) 502-5 x10 12 ~50 (H) x 50 (V) 801-2 x10 12 ~50 (H) x 50 (V) Main Beamline Performance Vertical focusing (or collimation) with CRLs, dE/E~1x10-4, Si[311]

15. 15 BROOKHAVEN SCIENCE ASSOCIATES Beamline, Optics and Endstation Layout

16. 16 BROOKHAVEN SCIENCE ASSOCIATES Second End Station (long set-ups) Typical experiments may include gas rigs, high-pressure, high or low temperatures.... A key requirement of the User community is to provide for fast changeover of samples and environments.

17. 17 BROOKHAVEN SCIENCE ASSOCIATES Side-Branch Beamline Laue or Bragg single bounce mono (~4 degree deflection) with horizontal focusing, Vertical focusing with CRLs, Fixed energy at 80 keV, Energy resolution of ~4 x 10 -3 allowable

18. 18 BROOKHAVEN SCIENCE ASSOCIATES Issues and Conclusions The only high-resolution instrument in the US capable of collecting data at high energies ( 40 keV to 100 keV)  ideal for high-Q data and in situ and time resolved studies in environmental cells. Combining complementary analysis probes, e.g., micro-raman Investigation and development required on: beam filtering and DLCM : heat load, band pass,... deflecting side bounce monochromator (including cooling scheme) focusing : mono and CRLs Detector development e.g. Siddons’ work on Ge strip array Start work on software requirements and sample environments Conceptual design report due end Sept 2009.