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[PDF] Scientific Report 2010 - International Nuclear Information System

“particle” of the form shown in Figure 3a yields the scattering pattern shown substrates/mAb stoichiometry of 4:1, were formed (Figure 2a) Cerium oxide ( ceria) has emerged as a highly attractive redox active For many years, the Electrochemistry Laboratory [1] of PSI has WS10-ETOLD, Valencia, Spain, 02 06 2010 

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PSI Scientific Report 2010

Paul Scherrer Institut, 5232 Villigen PSI, Switzerland

Tel. +41 (0)56 310 21

11, Fax +41 (0)56 310 21 99

www.psi.chPSI Scientific Report 2010

Cover photo:

PSI researchers Marcel Hofer

and Jérôme Bernard working an a fuel-cell system developed in collaboration with Belenos Clean

Power AG.

(Photo: Scanderbeg Sauer Photography)

Pharmacist Susanne Geistlich preparing

the inactive components of a radio pharmaceutic at PSI‘s Center for

Radiopharmaceutical Sciences.

(Photo: Scanderbeg Sauer Photography)

PSI ScientiÞ c Report 2010

PSI ScientiÞ c Report 2010

Published by

Paul Scherrer Institute

Editor

Paul Piwnicki

English language editing

Trevor Dury

Coordination

Evelyne Gisler

Design and Layout

Irma Herzog

Photographs

PSI, unless stated otherwise

Printing

Sparn Druck + Verlag AG, Mšhlin

Available from

Paul Scherrer Institute

Communications Services

5232 Villigen PSI, Switzerland

Phone +41 (0)56 310 21 11

www.psi.ch

PSI public relations

info@psi.ch

Communications ofÞ cer

Dagmar Baroke

ISSN 1662-1719

Copying is welcomed, provided

the source is acknowledged and an archive copy sent to PSI.

Paul Scherrer Institute, April 2011

? World-class research bene? ts our industry

Foreword from the director

SwissFEL

?? Research focus and highlights ?? Synchrotron light ?? Neutrons and muons ?? Particle physics ?? Micro- and nanotechnology ?? Biomolecular research ?? Radiopharmacy ?? Nuclear Chemistry ?? Large research facilities ?? Proton Therapy ?? General Energy ?? CCEM-CH ?? Nuclear energy and safety ?? Environment and energy systems analysis ?? User facilities ?? PSI accelerators ?? Swiss Light Source (SLS) ?? Spallation Neutron Source (SINQ) ??? Ultra-Cold Neutron Source (UCN) ??? Swiss Muon Source (SμS) ??? Technology transfer ??? Facts and ? gures ??? PSI in ???? - an overview ??? Commission and committees ??? Organizational Structure ??? Publications

Table of contents3

Foreword5

Dear Reader,

What do automobile components, batteries, chain saws, choco- late, computer processors, concrete, fuel cells, luxury watches, medicines, satellites, semiconductors, soap and yoghurt all have in common? The answer is that they, among many other objects, have all been examined at the Paul Scherrer Institute by indus- trial companies. Looking inside a combustion engine or a bio- molecule is possible through the use of the large-scale scien- ti? c facilities of PSI: the Swiss Light Source (SLS), the Spallation Neutron Source (SINQ), and the Swiss Muon Source (SμS), or the hot-cells for radioactive materials. These facilities are all avail- able for industrial partners to use, for investigations that are not possible anywhere else in Switzerland, or - in some cases - even anywhere in the world. Besides this direct use of PSI facilities by industry, other indirect bene? ts also exist for industry from PSI"s own internal develop- ments. Indeed, PSI scientists o? en require technologies for their own experiments that are not available on the market and this therefore necessitates speci? c in-house development to achieve a solution. It regularly happens that PSI products which derive from such developments can be used in various other types of industrial applications. Two particularly notable examples of such technology transfers originated from fundamental research at PSI. The ? rst is an oscilloscope, the size of a thumbnail, which had been developed for precision experiments at PSI and can per- form the same functions as a conventional device the size of a shoebox. PSI is currently looking for the best way to market this product. In the second example, PSI researchers developed an innovative detector for the CMS experiment at the new Large Hadron Collider (LHC) at CERN, to reveal the presence and paths of elementary particles. Further adaptation of this device for

X-ray detection resulted in the creation of the spin-o? company DECTRIS. This company is now selling its products all over the

world and, for this achievement, received the Swiss Economic Award in June ????. Currently, scientists at PSI and DECTRIS are investigating the potential of this technology for applications in the ? eld of medical imaging. Beside these two examples, numerous other technologies de- veloped at PSI are now used by industry; for example, power supplies for highly dynamic magnets, high-precision step-motor control systems, various components for proton-therapy treat- ments, catalysts for exhaust gas a? er-treatment, fuel cells as power supplies, or optical components for neutron sources, as produced by SwissNeutronics, another PSI spin-o? company. The next large facility to be built at PSI will be the SwissFEL X-ray free-electron laser. In building this facility, it is one of our highest priorities to involve future users at the earliest possible stage of its conception, as we want to provide a facility which is pre- cisely tailored to the needs of Swiss research groups in both universities and industry. At the same time, we are being con- fronted by considerable technological challenges, which we want to solve together with industrial partners. In this way, know-how from PSI will - again - be transferred to industry, enabling the companies involved to acquire knowledge and innovation capa- bilities. To conclude, although it is clear that most research performed at PSI is of a fundamental character, considerable direct and indirect bene? ts also result for our industry and, consequently, our society, not to mention the bene? ts which accrue from the signi? cant training and educational component of PSI"s mission.

Professor Dr. Joël Mesot

Director, Paul Scherrer Institute

World-class research beneÞ ts our industry

Photo: Scanderbeg Sauer Photography

An important milestone in the realization of the new SwissFEL facil- ity was reached on ?? August ????, when the core of the new Swiss Free-Electron Laser facility (SwissFEL) was set into operation at the Paul Scherrer Institute. The newly inaugurated injector pre-project is motivated by the challenging electron beam requirements necessary for the SwissFEL accelerator facility. Its main goal is to extensively study the generation, transport and time compression of high- brightness beams and to support the component development necessary for the SwissFEL Project. The new SwissFEL facility will open the door to discoveries, in many areas of current research, that cannot be achieved using existing methods. The unique properties of the SwissFEL will enable experi- ments to be carried out at a very high resolution in both time and space. For example, it will be possible to observe the progress of extremely fast chemical and physical processes, including details down to the scale of a molecule. This will not only result in a signi? cant increase in knowledge, it will also provide the basis for a vast range of technical and scienti? c developments. The SwissFEL Project is progressing very well and, in May ????, the new SwissFEL web site went online: www.swissfel.ch. In July ????, the SwissFEL Injector Conceptual Design Report - Accelerator Test Facility for SwissFEL (PSI Bericht Nr. ??-??) - was completed. Furthermore, the SwissFEL Conceptual Design Report (CDR- PSI Bericht Nr. ??-??) was published, describing the technical concepts and parameters used for the SwissFEL baseline design. Both documents are available via the SwissFEL Website: http://www. swissfel.ch.

The next highlight took place at the ??

nd

International Free-Electron

Prize was awarded to Sven Reiche, of the SwissFEL Beam Dynamics team. Sven was presented with this award for his "outstanding con- tributions to the advancement of the ? eld of Free-Electron Laser science and technology".

SwissFEL

8 SwissFEL Ð Project

overview and new developments 7

Inauguration of the SwissFEL injector:

Jo'l Mesot, PSI director, and

Didier Burkhalter, Federal Councillor,

at the injector tunnel. Beginning in the year ????, the SwissFEL X-ray laser will provide users with coherent, ultra-bright X-ray pulses, with a duration of approximately ?? femtoseconds. Two important ? elds of application for this facility are the characterization of short- lived intermediate states during catalytic chemistry and the structural determination of biomolecules in solution. These are currently the subjects of investigation by the SwissFEL

Photonics Group at PSI.

Terahertz initiation of catalytic chemistry

It is foreseen that the SwissFEL facility will include an inde- pendent, synchronized source of terahertz (THz) pump puls- es, which will permit THz-pump / X-ray probe experiments in condensed matter, without the complications of hot electron production by a visible laser. Possible phenomena which can be triggered with such a source include magnetic switching in ferromagnets, manipulation of electric polarization in ferroelectrics, excitation of impurities in semiconductors, Cooper-pair breaking in superconductors, and heterogeneous catalytic reactions on surfaces. Regarding the last of the above, it has been proposed that catalytic reactions may be collectively initiated by the interac- tion of the THz electric-? eld with polar molecules adsorbed on a surface [?]. A promising reaction for demonstrating such a collective initiation is the absorptive-dissociation of CO (or NO) on a transition-metal surface (see Figure ?). Upon excita- tion of the hindered translation rocking mode of the molecule, and for su? ciently large rocking angles, O binds to the surface

and CO dissociates. This surface-induced bond-breaking oc-curs more readily as one proceeds from Pd to Rh to Ru, along

row ? of the periodic table, and as one goes from a (???) to a (???) crystal surface. It is also believed that the energy bar- rier involved, ΔEdiss, is a function of direction along the surface. Our proposal is to adjust the sample temperature to just below the point where the thermally-induced reaction occurs and to use directed half-cycle THz pulses to interact with the CO dipole moment, e? ectively lowering ΔEdiss and hence momentarily increasing the reaction probability. Figure 1: (Top) A schematic representation of THz-induced absorptive-dissociation of CO (yellow = C, red = O) on a Rh surface. (Bottom) A schematic energy-level diagram for the process (RS, TS and DS refer to the reactant, dissociated and transition states, respectively [2]).

Novel experimental methods for use in condensed matter science at the SwissFEL X-ray laser are being developed.

These include the ultrafast initiation of surface catalytic reactions using terahertz pulses and cross-correlation

analysis of scattering data from randomly-oriented particles. The ability at the SwissFEL to rapidly initiate a

catalytic process will allow the characterization of short-lived intermediate states and will aid in the development

of more e? cient catalysts. With cross-correlation scattering, it will be possible to track in detail the time-depend-

ent conformations of biomolecules, and hence to follow their biological function.

Christoph Hauri, Izabela Czekaj, Anastasija Ichsanow, Jeroen van Bokhoven, Christian David, Vitaly Guzenko,

SwissFEL Project, PSI

Preparations for SwissFEL science

8 SwissFEL PSI Scientifi c Report 2010

Experiments to test this idea are planned in a small vacuum chamber at the laser-based THz source at the PSI ??? MeV test injector, with which THz electric ? elds of up to ? MV/cm have been demonstrated [?]. Detection of the reaction will be per- formed either time-integrated, by detecting free CO?, produced from the dissociated oxygen atoms, or time-resolved, by performing pump-probe IR spectroscopy. With the advent of the SwissFEL, ultrafast THz-pump/X-ray probe experiments of such catalytic reactions are envisaged, where the probe is a single-shot measurement of the near-edge X-ray absorption spectrum. Such a spectrum provides detailed infor- mation on short-lived (picosecond) intermediate states, regard- ing both atomic and electronic structure [?] (see Figure ?).

The structure of dissolved biomolecules

In ????, Kam proposed the "cross-correlation" method to derive the structure of a molecule from a large number of X-ray scattering images from molecules in solution [?]. With the advent of the XFEL, the necessary high photon flux will become available, thus renewing interest in the practical realization of the procedure [?-?]. The SwissFEL photonics group is pres- ently performing simulations and conducting synchrotron-

based experiments to test the relevant concepts.The results of a simulated experiment in two dimensions are

shown in Figure ?. Coherent X-ray scattering from a single ?D "particle" of the form shown in Figure ?a yields the scattering pattern shown in Figure ?b. Using iterative methods of phase retrieval, it is possible to recover the particle structure from the scattering pattern. In a Kam experiment, scattering is observed from an ensemble of identical, but randomly-ori- ented, particles. Figures ?c and d show the simulated scattered intensity from ?? particles - the two images correspond to di? erently distributed particle positions and orientations. Here, is the scattering wave-vector (where 2 ? is the scattering angle, and λ the wavelength), and ø is the azi- muthal angle. Because the number of scattering particles is ? nite, preferred orientations are evident in the scattering, reflecting the ?-fold symmetry of the individual particles. The scattering pattern from a very large number of particles, or the averaged scattering over a large number of images from a ? nite number of particles (see, for example, Figure ?e), converges to a radially-symmetric Debye-Scherrer ring pattern, from which only a very limited amount of structural information can be extracted. Signi? cantly more information is made available by perform- ing a cross-correlation analysis of the individual images, e.g., Figures ?c and d, and then averaging the correlation over a large number of images. To compute the correlation function,

PSI Scientifi c Report 2010 SwissFEL 9

Figure 2: In a single-shot, time-resolved experiment at the SwissFEL, a near-edge X-ray absorption spectrum can be collected which reß ects the instantaneous atomic and electronic structure of adsorbed molecules on a surface [4]. Figure 3: (a) Schematic structure of a single 2D particle used in the simulations; (b) Diffraction pattern exposure of a single particle; (c) and (d) Inequivalent exposures of 10 randomly oriented particles; (e) Averaged diffraction intensity of 50 exposures; (f) C

2(q,q,ψ) calculated from 50 simulated diffraction patterns, each

one originating from 10 randomly oriented particles. one ? rst calculates, for each image labelled by the letter 'a", the deviation of the observed scattering from the average: Following Kam, the two-point cross-correlation function is then computed and averaged over all the images: As can be seen in Figure ?f, the equal-q correlation function,

C(q,q,

?), shows ? ne details which are characteristic of the structure of the individual particle. Two important points should be stressed: a) whereas averag- ing independent scattering images yields featureless Debye- Scherrer rings, repeated measurements of the correlation function can be accumulated to provide ? ne details with in- creasing statistical signi? cance; b) as the particle size is re- duced, eventually to molecular dimensions, its rotational velocity in the solvent will increase, and hence the durationquotesdbs_dbs17.pdfusesText_23