1. FEL – Scientific Case ( a very preliminar discussion ) M. Benfatto on behalf of….. INFN-LNF

2. Some real experiments at the existing FEL facilities The scientific case at IRIDE and our possibilities The Italian community

3. Protein data bank – about 72000 structures at different resolution (Bio) X-RAY Crystallography Protein function Protein structure In the modern SR facility diffraction data are routinely measured on crystals of the size of 10-100 μm using microfocus beamlines

4. Two bottlenecks limits the Bio-XRD: The necessity of isolating, purifying and cristallizing sufficient large samples, typically > 10  m 3 The radiation damage Simulations suggest that a crystal composed of 10x10x10 unit cells can be still used - assuming a unit cell of 10 nm (a reasonable size for a protein crystal), 10 unti cells would yield a crystal of 100 nm edge. Small crystalls are easier to grow than large one: most the precipitates obtained during the cristallization trials contains crystals of several nm edges.

5. Chapman et al. Nature 470, 73 (2011) Photon energy 1.8 KeV ≈ 10 12 photon/pulse Pulse duration 10, 70 and 200 fs Crystal hit rate of about 20%

6. Photosystem I – Membrane protein – sun catcher This structure has been solved in 2001 using SR Nano-crystals have been grown to test the method Single shot at LCLS From about 15000 nano- crystals From SR at the same resolution about 8.5 Angs.

7. S. Boutet et al. Science 337, 362 (2012) 9.4 KeV 4.10 11 photons/pulse Pulse duration 40 fs > 10 6 diffracted images Hen egg lysozyme Resolution 1.9 Angs.

8. advantages of using SFC crystallography Use of nano-crystals No problems with the radiation damage at least with 40 fs duration pulse. Because of the presence of a very limited number of cells, the Laue conditions are not fulfilled and a continuous signal between the Bragg reflections will be present. This continuous signal can be exploited to recover the phases of the reflections

9. Pfau B. et al. Nature communications 3,1100 (2012) Demagnetization by an optical excitation pulse Magnetization dynamics and energy and angular momentum transfer between electron/spin system and the lattice Magnetic device at the fs time scale. Co/Pt multilayers Sample pumped with an IR pulse at 800 nm and 70 fs width Soft X-ray probe at 59.6 eV corresponding to the Co 3p 3/2 (M III ) resonance – FLASH facility

10. A strong resonant enhancement of the magnetic reflections can be observed using Resonant X-ray Scattering in SAXS regime – the scattered intensity is proportional to the square of local sample magnetization vector M – spatial resolution of some nm – time resolution of about 200 fs Pump fluence 14.2 mJ cm -2  t = 1.3 ps The same experiment has been proposed and done recently at FERMI beamline DIPROI taking advantage of the availability of circularly polarized soft X-ray beam and jitter free pumb- probe scheme based on seeding

11. Time-resolved X-Ray Absorption Spectrocopy x I0I0 I I=I 0 e -  (E)x 1s 2s 2p 1/2 2p 3/2 3s K L1L1 L2L2 L3L3 X-ray Ionisation threshold Structural and electronic information Applications to samples in any conditions Used in chemistry, biology, solid state …

12. Gawelda et al. PRL 98, 057401 (2007) Iron(II)-tris-bipyridine ([Fe II (bpy) 3 ] 2+ )

13. XAS data – the red one are after 50 ps SLS – Slicing scheme The fs data are obtained Liquid jet of 50 mM of [Fe II (bpy) 3 ] 2 400-nm laser pulse – 115fs – 1kHz Tunable fs hard X-ray pulse at 2 kHz ≈ 10 photon/pulse at 7 keV Bressler et al. Science 323, 489 (2009) Theoretical analysis done by tools developed at LNF

14. H.T. Lemke (2013) to be published LCLS – SASE mode ≈ 10 9 photon/pulse ≈ 130 fs time resolution High tunibility 190 fs 1.25 ps

15. and many others S. Bernitt et al. Nature 492, 225 (2012) L. Redecke et al. Science 339, 227 (2013) T. Pikuz et al. Optic Express 20 #157190 (2012) LCLS – about 800eV SCSS – about 20 – 70 eV LCLS – about 9.4 KeV ……….. LCLS – about 7 - 9.4 KeV J. Kern et al. Science 10.1126/science.1234273 (2013)

16. Published in 2009 - Organized as a Proceeding of a Conference and follow the discussions done during the workshops helded in 2005 and 2007 at LNF About 100 Scientist and about 20 research institutions It was judged by three international referees and it has been found “…comprehensive and exceedingly well-written document” SPARX – Scientific case

17. …… SPARX would thus be a world-class facility where Italian scientists would provide the scientific leadership but in many cases with strong international participation. ……. …. But the compilation given here is fairly complete and compelling … This is very important to make a big investment like SPARX commendable and worthwhile. So on this count a justification for SPARX is clearly reached…… …. In view of the quite numerous FEL machines being planned or built around the world, one has to anticipate the argument that yet another FEL is not necessary. However, one has to accept that FELs, by their principle of construction, cannot accommodate as many beamlines as synchrotron sources consisting of storage rings. If the presented reasons for the need of broader access to such facilities are justified, then there will certainly be a shortage of worldwide beamtime at FELs; so another machine appears justified, in particular in the X-ray regime….. Referee’s judgements

18. FEL to create and/or probe Warm Dense Matter on wide P-T range WDM occurs at high temperatures/ high pressure regimes: core of large planets and experiments relevant to inertial fusion, in the transition from solids to plasma FEL applications in biomedicine using pulses in IR and UV energy range IR Bio-imaging to get static pictures of cells and dynamic characterization of ultrafast biological processes. mechanisms of UV radiation damage of biological systems. Important for the comprehension of complex evolutionary processes, such as the aging of proteins. Time-resolved phosphorescence and fluorescence studies of biological systems. ……

19. Many different applications We need to make several choices XRD and TR-XRD like to have pulses at high energy, typicall about 10 KeV, they also can take advantage by the high repetition rate. tunability – this is a pecularity of the FERMI facility that has both a fine (±0.4 %) and coarse tuning (80-20 nm) at FEL1. ( E. Allaria et al. New Journal of Physics 14, 113009 (2012) ) short pulse duration – control of the jitter – control of polarization ….

20. our possibilities l(nm/KeV)1/1.240.3/3.720.2/6.2 F peak (n/s/- 0.1%BW) 4.6*10 25 4.1*10 23 3.4*10 22 B (n/s(mm.mrad) 2 - 0.1%BW) 6.4*10 31 5.7*10 29 4.7*10 28 t (fs) 220<200<180 F (n/s) (medio) 3.95*10 22 3.51*10 20 2.89*10 19 photon/bunch 1.01*10 13 9.02*10 10 7.48*10 9 Beam energy 3 GeV – SASE mode l(nm/KeV)4/0.4131.33/1.230.8/2.07 F peak (n/s/- 0.1%BW) 2.7*10 26 2.5*10 24 1.9*10 23 B (n/s(mm.mrad) 2 - 0.1%BW) 1.56*10 30 1.4*10 28 1.1*10 27 t (fs) 9580<100 F (n/s) (medio) 1.03*10 23 9.32*10 20 7.33*10 19 photon/bunch 5.94*10 13 5.5*10 11 4,18*10 10 Beam energy 1.5 GeV – SASE mode

21. What is going on in the Italian SR-FEL community: FERMI is running: in 2012 with 30 proposals – accepted 8 – January 2013 the second call with 45 proposals, in April we will meet to assign beam time. the Ministry of Research funded some PIK to build some part of the end- station at FEL facilities (FERMI and DESY). EX-PRO-REL (EXcitation PROcesses and RELaxation in condensed matter and nanostructures: methodological, instrumental, and scientific challenges) ULTRA-SPIN (Ultra Fast spectroscopy with spin polarization), POLARIXS (Resonant Inelastic X-ray Scattering with full control of polarization) - each one with about 200 Keuro.

22. acknowledgments A. Marcelli (INFN), E. Pace (INFN), M. Pedio (TASC-INFN), S. Morante (Univ. Tor Vergata), F. Stellato (Univ. Tor Vergata and CFEL-Desy), C. Mariani (Univ. Roma1), A. Di Cicco (Univ. Camerino), R. Gunnella (Univ. Camerino), G. Zanotti (Univ. Padova), L. Avaldi (CNR), N. Zema (CNR), C. Quaresima (CNR), G. Dattoli (ENEA), J. Rau (ENEA), L. Poletto (LUXOR), F. Boscherini (Univ. Bologna).