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1.
Traditional angle-resolved photoemission (ARPES) with excitation in the ca. 20 to 150 eV range has clearly evolved to be the technique of choice for studying the electronic structure of surfaces and complex new strongly correlated and magnetic materials. However, it is clear that ARPES with excitation only up to 150 eV or so remains a very surface-sensitive probe, thus necessitating careful in-situ sample treatment, cleaving, or even synthesis to avoid the measurement of surface-associated artifacts. A key measure of this surface sensitivity is the electron inelastic mean free path (IMFP orΛe), which measures the mean depth of electron emission without inelastic scattering, and both experimental [1 Offi, F., Iacobucci, S., Vilmercati, P., Rizzo, A., Goldoni, A., Sacchi, M. and Panaccione, G. 2008. Physical Review B, 77: 201101R[Crossref] [Google Scholar], 2 Offi, F., Iacobucci, S., Petaccia, L., Gorovikov, S., Vilmercati, P., Rizzo, A., Ruocco, A., Goldoni, A., Stefani, G. and Panaccione, G. 2010. Journal of Physics: Condensed Matter, 22: 305002[Crossref] [Google Scholar]] and theoretical [3 Tanuma, S., Powell, C. J. and Penn, D. R. 2011. Surface and Interface Analysis, 43: 689[Crossref], [Web of Science ®] [Google Scholar]] IMFP studies showing that the only reliable way to increase bulk or buried layer/interface sensitivity for all material types is to go to higher photon energies in the soft X-ray (ca. 0.5–2 keV) or hard X-ray (ca. 2–10 keV) regime.  相似文献   

2.
Following Gurtin and many others, the critical energy release rate is commonly identified as an ill-defined surface energy. The primary objectives of this paper are to clarify the definition of this surface energy and the role of the entropy inequality in the discussion of critical conditions. In view of an increasing emphasis on ab initio computations, a secondary objective is to show how the critical energy release rate and the compatibility constraint 1 Si, X, Oh, ES and Slattery, JC. 2010. Phil. Mag., 90: 655[Taylor & Francis Online] [Google Scholar] can be used to solve a problem for which we have experimental data, using only ab initio estimates of surface tension and bond potential, both of which are increasingly available.  相似文献   

3.
The molecular ability to selectively and efficiently convert sunlight into other forms of energy like heat, bond change, or charge separation is truly remarkable. The decisive steps in these transformations often happen on a femtosecond timescale and require transitions among different electronic states that violate the Born-Oppenheimer approximation (BOA) [1 W. Domcke, D. Yarkony, and H. Köppel, Conical Intersections Electronic Structure, Dynamics &; Spectroscopy, World Scientific, Singapore (2004).[Crossref] [Google Scholar]]. Non-BOA transitions pose challenges to both theory and experiment. From a theoretical point of view, excited state dynamics and nonadiabatic transitions both are difficult problems [2 F. Plasser, Theor. Chem. Acc. 131, 233902 (2012).[Crossref], [Web of Science ®] [Google Scholar], 3 J. C. Tully, J. Chem. Phys. 137, 22A301 (2012).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]] (see Figure 1(a)). However, the theory on non-BOA dynamics has advanced significantly over the last two decades. Full dynamical simulations for molecules of the size of nucleobases have been possible for a couple of years [4 H. R. Hudock, J. Phys. Chem. A 111, 85008508 (2007).[Crossref], [PubMed], [Web of Science ®] [Google Scholar], 5 J. J. Szymczak, J. Phys. Chem. A 113, 1268612693 (2009).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]] and allow predictions of experimental observables like photoelectron energy [6 S. Ullrich, Phys. Chem. Chem. Phys. 6, 2796 (2004).[Crossref], [Web of Science ®] [Google Scholar]] or ion yield [7 H. Tao, J. Chem. Phys. 134, 244306 (2011).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]9 M. Assmann, T. Weinacht, and S. Matsika, J. Chem. Phys. 144, 34301 (2016).[Crossref], [Web of Science ®] [Google Scholar]]. The availability of these calculations for isolated molecules has spurred new experimental efforts to develop methods that are sufficiently different from all optical techniques. For determination of transient molecular structure, femtosecond X-ray diffraction [10 M. P. Minitti, Phys. Rev. Lett. 114, 255501 (2015).[Crossref], [PubMed], [Web of Science ®] [Google Scholar], 11 J. Küpper, Phys. Rev. Lett. 112, 083002 (2014). [Google Scholar]] and electron diffraction [12 J. Yang, Nat. Commun. 7, 11232 (2016).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]] have been implemented on optically excited molecules.  相似文献   

4.
5.
The thermodynamic behaviour of two-dimensional single-component elastic crystalline solids is developed: the surface Euler's equation, the surface Gibbs equation, the surface Gibbs–Duhem equation, and the conditions to be expected at equilibrium, including the stress-deformation behaviour of the crystal. The analysis recognizes that the surface Helmholtz free energy is an explicit function of the lattice vectors defining the crystalline structure. As an application, we obtain the stress-deformation behaviour of single-wall carbon nanotubes which are composed of a regular two-dimensional array of hexagonal lattices of carbon atoms. Using two potentials, Tersoff [1] Tersoff J Phys. Rev. B 37 6991 1988 [Crossref], [Web of Science ®] [Google Scholar]–Brenner [2] Brenner DW Phys. Rev. B 42 9458 1990 [Crossref], [Web of Science ®] [Google Scholar] and Brenner et al. [3] Brenner, DW, Shenderova, OA, Harrison, JA, Stuart, SJ, Ni, B and Sinnott, SB. 2002. J. Phys. Condens. Matter, 14: 783[Crossref], [Web of Science ®] [Google Scholar] to describe interatomic potentials and hence the specific surface Helmholtz free energy, we compute the surface elastic properties for the single-wall carbon nanotubes. These are compared with the available experimental values.  相似文献   

6.
7.
In France, Yvette Cauchois, Director of the Laboratoire de Chimie Physique in Paris, was the first person who came up with the idea of using synchrotron radiation. The experiment was done in collaboration with Italian scientists at the Frascati synchrotron in 1963 [1 Y. Cauchois, C. Bonnelle and G. Missoni, C. R. Acad. Sci. Paris, 257, 409 (1963a) and 1242 (1963b). [Google Scholar]]. For a few years, interesting results were obtained by her group and that of Pierre Jaéglé (Orsay) [2 P. Jaeglé, P. Missoni and P. Dhez, Phys. Rev. Lett., 18, 887 (1967).[Crossref], [Web of Science ®] [Google Scholar]]. After that, they contacted the laboratory for high-energy physics at Orsay (LAL), hoping to install a beamline on the ACO (electron-positron collider), but their request was turned down.  相似文献   

8.
Although nineteen years have passed since the discovery of high temperature cuprate superconductivity 1 Bednorz, JG and Müller, KA. 1986. Z. Phys. B, 64: 189[Crossref] [Google Scholar], there is still no consensus on its physical origin. This is in large part because of a lack of understanding of the state of matter out of which the superconductivity arises. In optimally and underdoped materials, this state exhibits a pseudogap at temperatures large compared to the superconducting transition temperature 2 Warren, WW Jr., Walstedt, RE, Brennert, GF, Cava, RJ, Tycko, R, Bell, R and Dabbagh, G. 1989. Phys. Rev. Lett., 62: 1193[Crossref], [PubMed], [Web of Science ®] [Google Scholar], 3 Alloul, H, Ohno, T and Mendels, P. 1989. Phys. Rev. Lett., 63: 1700[Crossref], [PubMed], [Web of Science ®] [Google Scholar]. Although discovered only three years after the pioneering work of Bednorz and Müller, the physical origin of this pseudogap behavior and whether it constitutes a distinct phase of matter is still shrouded in mystery. In the summer of 2004, a band of physicists gathered for five weeks at the Aspen Center for Physics to discuss the pseudogap. In this perspective, we would like to summarize some of the results presented there and discuss the importance of the pseudogap phase in the context of strongly correlated electron systems.

Table  相似文献   


9.
X-ray scattering techniques have long ranked among the most important methods for studying amorphous materials and other highly disordered targets. Well-established X-ray scattering methods often consist of recording time-averaged scattered intensity maps which, under the Born approximation, straightforwardly reveal information about ensemble-averaged, two-point, electron density correlations within the target. In the case of isotropic targets that consist of disordered ensembles of randomly oriented particles, scattering data are typically reduced to a histogram of electron pair distances (the “pair distribution function,” or PDF). While the information contained in the one-dimensional PDF is limited, a rich set of structural properties can often be determined straightforwardly (e.g., radius of gyration, surface area, short-range correlation length scales, fractal dimension). One of the well-known pinnacles of the methodology is the application of small-angle X-ray scattering (SAXS) to solutions of identical biological macromolecules [1 Elser, V. 2011. New J. Phys., 13: 123014[Crossref] [Google Scholar]3 Putnam, C. D., Hammel, M., Hura, G. L. and Tainer, J. A. 2007. Quarterly Reviews of Biophysics, 40: 191285. [Crossref], [PubMed], [Web of Science ®] [Google Scholar]], which is now routinely used to rapidly determine ab initio low-resolution (>1 nm) protein structures [4 Hura, G. L. 2009. Nature Methods, 6: 606614. [Crossref], [PubMed] [Google Scholar]].  相似文献   

10.
Owing to the current energy crisis and extreme changes in the global climate, there is great interest in finding renewable energy resources. Vast progress has been made in the development of new materials related to renewable energy, and their physical/chemical properties can be tailored by nanostructuring and other advanced synthetic approaches. In many important energy systems, such as solar hydrogen systems, the atomic/electronic structures of materials and fundamental interfacial phenomena of systems critically determine the energy conversion efficiency of materials [1 S. Shen et al., Energy Environ. Sci. 9, 2744 (2016).[Crossref], [Web of Science ®] [Google Scholar], 2 J. Chen et al., J. Mater. Chem. A 2, 4605 (2014).[Crossref], [Web of Science ®] [Google Scholar]]. Without knowledge of the fundamental electronic structures of the materials during conversion reactions, better engineering of the material for practical use is difficult. Understanding and controlling the interfaces in energy generation/conversion/storage materials requires in-situ/operando approaches [3 V. Iablokov et al., Nano Lett. 12, 2091 (2012).[Crossref], [Web of Science ®] [Google Scholar], 4 F. Zheng et al., Nano Lett. 11, 847 (2011).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]]. The Taiwan Photon Source (TPS) Soft X-ray Spectroscopic beamline provides the capabilities for X-ray absorption (XAS) and X-ray emission (XES) spectroscopies, which can be utilized to investigate unoccupied (conduction-band) and occupied (valence-band) electronic states, respectively. Moreover, resonant inelastic X-ray scattering (RIXS) can be used to study intra-band (including d-d or f-f excitations) and inter-band (charge transfer) transitions [5 S. M. Butorin et al., Phys. Rev. Lett. 77, 574 (1996).[Crossref], [PubMed], [Web of Science ®] [Google Scholar], 6 P. Kuiper et al., Phys. Rev. Lett. 80, 5204 (1988).[Crossref], [Web of Science ®] [Google Scholar]]. The former provides details about electronic energy splitting in various crystal fields and the latter involves electron transfer between a metal and a ligand, which determines chemical activity [7 H. Liu, Nano Lett. 7, 1919 (2007).[Crossref], [Web of Science ®] [Google Scholar], 8 V. Bisogni et al., Phys. Rev. Lett. 114, 096402 (2015).[Crossref], [Web of Science ®] [Google Scholar]].  相似文献   

11.
The European X-ray free electron laser (EXFEL) facility is currently under construction [1 M. Altarelli, The European X-ray Free-electron Laser, Technical Design Report (2006). [Google Scholar]]. Using the principle of self-amplified spontaneous emission (SASE) [2 A.M. Kondratenko and E.L. Saldin, Part. Accel., 10, 207 (1980). [Google Scholar], 3 R. Bonifacio, C. Pellegrini, and L.M. Narducci, Opt. Commum. 50, 373 (1984).[Crossref], [Web of Science ®] [Google Scholar]], intense FEL radiation is generated in three gap-tuneable undulator systems called SASE1, SASE2, and SASE3. The electron beam energy of the EXFEL is variable between 8.5 and 17.5 GeV. SASE1 and SASE2 are hard X-ray FELs using planar undulators with a period length of 40 mm, called U40s. By a suitable choice of the beam energy and undulator gap, the wavelength can be tuned from 0.05 to 0.4 nm. SASE3 is a soft X-ray FEL using planar undulators with a period length of 68 mm, called U68s. Under the same conditions, the wavelength can be tuned from 0.4 to 5.2 nm.  相似文献   

12.
The National Synchrotron Light Source (NSLS) has a long tradition of research and development in accelerator physics and light source technologies. Over the past two decades, the NSLS has made many pioneering contributions to the development of storage-ring-based light sources, such as the Chasman-Green lattice, global orbit feedback systems, and in-vacuum insertion devices. Even from the earliest days of the NSLS, the staff also had started to explore the potential of free-electron-laser (FEL)-based light sources, leading to some seminal work on the theory of self amplified spontaneous emission (SASE) FELs [1 Bonifacio, R., Pellegrini, C. and Narducci, L. 1984. Optics Comm., : 373 [Google Scholar],2 Wang, J.M. and Yu, L.H. 1986. NIM A, 250: 484 [Google Scholar]].  相似文献   

13.
The discovery of the nonlinear optical response [1 P.A. Franken, A.E. Hill, and C.W. Peters, Physical Review Letters 7(4), 118119 (1961).[Crossref], [Web of Science ®] [Google Scholar]] has triggered the development of new theoretical and experimental approaches. These are based on the perspective that light-matter interactions are not necessarily cast in the picture of “one photon at a time,” typical of linear processes, but more photons can “work together” in order to coherently stimulate and probe (via nonlinear interactions) different kinds of dynamics in a sample. Nowadays, such a “multi-wave” concept is extensively used in a large array of methods, also termed wave-mixing, that have found numerous applications in almost all fields of physics, chemistry, and biology [2 N. Bloembergen, Review of Modern Physics 54(3), 685695 (1982).[Crossref], [Web of Science ®] [Google Scholar], 3 R.W. Boyd, Nonlinear Optics, 3rd ed., Academic Press, New York (2008). [Google Scholar]]. Such methods are often based on third-order processes, referred to as four-wave-mixing (FWM), in which a threefold light-matter interaction results in the generation of a (fourth) signal photon, whose photon parameters (frequency, wave vector, polarization, etc.) may differ from those of the input fields. The possibility to control the latter parameters turns into the capability to selectively probe different FWM processes, which can contain distinct and complementary information. In addition to this high degree of selectivity, FWM is often featured in ultrafast time resolution and can be used to study dynamics hardly accessible by linear methods [3 R.W. Boyd, Nonlinear Optics, 3rd ed., Academic Press, New York (2008). [Google Scholar]], such as spin waves and relaxations [4 A.R. Cameron, P. Riblet, and A. Miller, Physical Review Letters 76(25), 74937496 (1996).[Crossref], [Web of Science ®] [Google Scholar], 5 C.P. Weber, Nature 437(7063), 13301333 (2005).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]] or Raman transitions between unoccupied electronic states [6 Y. Prior, Phys. Rev. Lett. 46(2), 111114 (1981).[Crossref], [Web of Science ®] [Google Scholar], 7 J.R. Andrews and R.M. Hochstrasser, Chemical Physics Letters 82(3), 381385 (1981).[Crossref], [Web of Science ®] [Google Scholar]].  相似文献   

14.
Jet-cooled spectra of 14NH3 and 15NH3 in natural abundance were recorded using cavity ring-down (CRDS, 6584–6670 cm?1) and cavity enhanced absorption (CEAS, 6530–6700 cm?1) spectroscopy. Line broadening effects in the CRDS spectrum allowed lines with J -values between 0 and 3 to be identified. Intensity ratios in 14NH3 between the jet-cooled CRDS and literature room-temperature data from Sung et al. (J. Quant. Spectrosc. Radiat. Transfer, 113 (2012 K. Sung , L.R. Brown , X. Huang , D.W. Schwenke , T.J. Lee , S.L. Coy , and K.K. Lehmann , J. Quant. Spectrosc. Radiat. Transfer 113 , 1066 (2012).[Crossref], [Web of Science ®] [Google Scholar]), 1066) further assisted the line assignments. Ground state combination differences were extensively used to support the assignments, providing reliable values for J, K and inversion symmetry of the ground state vibrational levels. CEAS data helped in this respect for the lowest J lines, some of which are saturated in the CRDS spectrum. Further information on a/s doublets arose from the observed spectral structures. Thirty-two transitions of 14NH3 were assigned in this way and a limited but significant number (19) of changes in the assignments results, compared to Sung et al. or to Cacciani et al. (J. Quant. Spectrosc. Radiat. Transfer, 113 (2012 P. Cacciani , P. Cermak , J. Cosleou , M. Khelkhal , P. Jeseck , and X. Michaut , J. Quant. Spectrosc. Radiat. Transfer 113 , 1084 (2012).[Crossref], [Web of Science ®] [Google Scholar]), 1084). Sixteen known and 25 new low-J transitions were identified for 15NH3 in the CRDS spectrum but the much scarcer literature information did not allow for any more refined assignment. The present line position measurements improve on literature values published for 15NH3 and on some line positions for 14NH3.  相似文献   

15.
The costs of a synchrotron radiation facility scales approximately linearly with the length (FEL) or the circumference (storage ring) of the machine. It is always beneficial for the reduction in overall expenses to utilize short period in-vacuum undulators (IVUs) for X-ray production. This is the reason for the success of the IVU development which was started almost 20 years ago in Japan [1 T. Hara, J. Synch. Rad., 5, 403405 (1998).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]3 T. Tanaka, Proc. FEL Conf., Stanford, CA, 370377 (2005). [Google Scholar]]. Today, IVUs are implemented into nearly all third-generation storage rings. Ten years ago, the concept of cryogenically cooled permanent magnet undulators (CPMUs) was proposed [4 T. Hara, Phys. Rev. ST Accel. Beams, 7, 050702-1-6 (2004).[Crossref] [Google Scholar]]. The magnetic properties of rare earth magnets (i.e., the remanence and the coercivity) improve substantially at low temperatures. The remanence increases by about 15%, whereas the coercivity grows by a factor of three to four. Due to the performance gain and the low technical risk of CPMUs, such devices are under development all over the world. The first generation of CPMUs, with period lengths well below 20 mm, is successfully operated at ESRF [5 J. Chavanne, AIP Conf. Proc., SRI 2009, Melbourne, Australia 1234, 2528 (2010). [Google Scholar], 6 J. Chavanne, Proc. PAC, Vancouver, BC, Canada, 24142416 (2009). [Google Scholar]], PSI [7 T. Tanaka et al, Phys. Rev. ST Accel. Beams, 12, 120702-1-5 (2009).[Crossref] [Google Scholar]], DIAMOND [8 C. Ostenfeld and M. Pedersen, Proc. IPAC, Kyoto, Japan, 30933095 (2010). [Google Scholar]], SOLEIL [9 C. Benabderrahmane, J. Phys., Conf. Ser., SRI 2012, Lyon, France 425, 032019-1-4 (2013). [Google Scholar]], and SPring-8 [10 T. Tanaka, Private communication (2015). [Google Scholar]].  相似文献   

16.
The fourth international user workshop focusing on high-power lasers at the Linac Coherent Light Source (LCLS) was held in Menlo Park, CA, USA, on October 3–4, 2016 [1 R. Falcone, S. Glenzer, and S. Hau-Riege, Synchrotron Radiation News 27(2), 5658 (2014).[Taylor &; Francis Online] [Google Scholar]3 C. Bolme, S. Glenzer, and A. Fry, Synchrotron Radiation News 29(2), 1417 (2016).[Taylor &; Francis Online] [Google Scholar]]. The workshop was co-organized by Los Alamos National Laboratory and SLAC National Accelerator Laboratory (SLAC), and garnered the attendance of more than 110 scientists. Participants discussed the warm dense matter and high-pressure science that is being conducted using high-power lasers at the LCLS Matter in Extreme Conditions (MEC) endstation. During the past year, there have been seven journal articles published from research at the MEC instrument [4 L. B. Fletcher et al., Review of Scientific Instruments 87(11), 11E524 (2016).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]10 P. Sperling et al., Physical Review Letters 115(11), 115001 (2015).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]]. The specific topics discussed at this workshop were experimental highlights from the past year, current status and future commissioning of MEC capabilities, and future facility upgrades that will enable the expanded science reach of the facility.  相似文献   

17.
After the big success of the first GISAXS workshop in 2005, HASYLAB/DESY hosted the “2nd GISAXS Workshop 2007” in Hamburg, Germany, from May 9 to 11, 2007. GISAXS stands for Grazing Incidence Small Angle X-ray Scattering, a powerful surface sensitive technique to observe structures on multiple length scales, ranging from some nanometers to up to several micrometers. Organized by R. Gehrke and S.V. Roth from HASYLAB and P. Müller-Buschbaum from Technical University Munich, the workshop attracted more than 100 participants from more than 20 countries, making up a very exciting and stimulating atmosphere with invited keynote lectures, two sessions with more than 50 contributed posters, and practical training including real data acquisition at HASYLAB beamline BW4 [1 Roth, S. V., Döhrmann, R., Dommach, M., Kuhlmann, M., Kröger, I., Gehrke, R., Walter, H., Schroer, C., Lengeler, B. and Müller-Buschbaum, P. 2006. Rev. Sci. Instr, 77: 085106 [Google Scholar]].  相似文献   

18.
19.
《光谱学快报》2012,45(9):563-576
Abstract

The conformational study using Potential Energy Surface analysis was performed and its minimum energy conformer has been obtained for N-(2-(Trifluoromethyl)phenyl)acetamide. Fourier Transform Infrared and Fourier Transform Raman investigation have been done experimentally and theoretically. Nuclear Magnetic Resonance analysis has been performed to obtain 1H and 1 Bassetto, M.; Ferla, S.; Pertusati, F. Polyfluorinated Groups in Medicinal Chemistry. Future Med. Chem. 2015, 7, 527546.[Crossref], [PubMed], [Web of Science ®] [Google Scholar]C chemical shifts. Ultraviolet-Visible analysis has been performed to obtain maximum absorption wavelength. The molecular orbital diagram with different energies has been obtained and compared with the band gap of Ultraviolet-Visible data. Wave function analysis has been discussed to know the electronic properties. Thus, this present study reports the structural, electrical, chemical activities of the title compound.  相似文献   

20.
X-rays are intrinsically capable of being used for the study of non-periodic objects with atomic resolution, with high penetration, in applied electromagnetic fields, and in fluids and gases. For direct imaging via nanofocused X-ray beams, reflective [1 K. Yamauchi, Journal of Physics: Condensed Matter 23(39), 394206 (2011).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]], refractive [2 C.G. Schroer, Applied Physics Letters 87(12), 1241033 (2005).[Crossref], [Web of Science ®] [Google Scholar]], and diffractive [3 K. Burkhard, Journal of Physics: Condensed Matter 23(8), 083002 (2011).[Crossref], [Web of Science ®] [Google Scholar], 4 J. Kirz, C. Jacobsen, and M. Howells, Quarterly Reviews of Biophysics 28(01), 33130 (1995).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]] optics are used in various approaches for high-resolution imaging. Diffractive X-ray optics are endowed with the highest numerical aperture, in principle allowing focusing of X-rays to sub-nanometer dimensions. Lithographically produced Fresnel zone plates (FZP) find broad deployment around the globe, in both nanofocusing and full-field imaging approaches, and have, for many years, been workhorse optics in both synchrotron-based and laboratory-based X-ray imaging systems [4 J. Kirz, C. Jacobsen, and M. Howells, Quarterly Reviews of Biophysics 28(01), 33130 (1995).[Crossref], [PubMed], [Web of Science ®] [Google Scholar]]. A FZP consists of a series of radially symmetric rings, which are known as Fresnel zones, which alternate between transparent and opaque. Radiation traversing into the FZP diffracts around the opaque zones, which are placed in an arrangement where light constructively interferes at the focal plane.  相似文献   

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