BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:High-P\,T diffraction studies of dehydration of magnesium silicate s related to the deep Earth’s water cycle DTSTART;VALUE=DATE-TIME:20200714T105000Z DTEND;VALUE=DATE-TIME:20200714T111000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1043@indico.inp.nsk.su DESCRIPTION:Speakers: Anna Likhacheva (Sobolev Institute of Geology and Mi neralogy SibD RAS)\nIn the context of the global H2O cycle\, an active int erest is taken in water recycling associated with subduction of oceanic pl ates into the mantle. Mineral serpentine\, Mg3Si2O5(OH)4\, is regarded as the main water reservoir in oceanic litosphere [1]\, and therefore its deh ydration can produce a large impact onto seismic activity and magma genera tion in subduction zones. Since the dehydration temperature can be effecti vely decreased in the presence of alkali chlorides [2]\, we explore this e ffect on serpentine dehydration. Here we report the results of in-situ X-r ay diffraction and Raman spectroscopy studies of two serpentine minerals\, chrysotile and antigorite\, in the presence of sodium chloride at high P- T conditions relevant to subduction zone (1-4 GPa\, 400-800oC). The dehydr ation temperature of both minerals is about 200 degrees lower compared to salt-free H2O-saturated conditions\, which is important for the localizati on of dehydration reactions in subducting slab. This work is supported by the Russian Foundation for Basic Research (grant No 18-05-00312). Diffract ion experiments were performed at SSTRC\, Novosibirsk (project RFMEFI62119 X0022) and the PETRA III (DESY\, Hamburg)\, and supported by approval of P ETRA III Proposal I-20190140.\n\nhttps://indico.inp.nsk.su/event/24/contri butions/1043/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1043/ END:VEVENT BEGIN:VEVENT SUMMARY:Study of Au-Co ultrafine grained alloy by synchrotron radiation di ffractometry DTSTART;VALUE=DATE-TIME:20200714T115000Z DTEND;VALUE=DATE-TIME:20200714T121000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1813@indico.inp.nsk.su DESCRIPTION:Speakers: Timofey Tolmachev (M.N. Mikheev Institute of Metal P hysics of the Ural Branch of the Russian Academy of Sciences (IMP UB RAS)) \nUltrafine grained Au-Co alloys were prepared by high pressure torsion (H PT) technique. The severe plastic deformation was carried out at room and cryogenic temperatures. A consolidated alloy is formed from the initial po wder mixture of metals in an equiatom ratio after mechanical alloying. The n\, synchrotron radiation diffractometry of the obtained samples was carri ed out. It was found that after deformation at room temperature an fcc sub stitutional supersaturated solid solution formed. Changing the deformation temperature to cryogenic leads to greater dissolution of Co. This result corresponds to the increased mechanical and physical properties of the Au- Co alloys after cryo-HPT processing than after room one.\n\nDiffraction ex periments were performed at the SR beamline №4 of the VEPP-3 storage rin g.\nThe research was carried out within the state assignment of Ministry o f Science and Higher Education of the Russian Federation (theme “Рressu re” No. АААА-А18-118020190104-3)\, supported in part by RFBR (proje ct No. 19-32-60039).\n\nhttps://indico.inp.nsk.su/event/24/contributions/1 813/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1813/ END:VEVENT BEGIN:VEVENT SUMMARY:High Energy Imaging and Diffraction at Diamond Light Source Beamli ne I12: 11 Years of Experience and Lessons Learned DTSTART;VALUE=DATE-TIME:20200714T094000Z DTEND;VALUE=DATE-TIME:20200714T101000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1827@indico.inp.nsk.su DESCRIPTION:Speakers: Thomas Connolley (Diamond Light Source )\nThe I12 Joint Engineering\, Environmental and Processing (JEEP) beamline\, was con structed during Phase II of the Diamond Light Source. The beamline started operating in November 2009. It is located on a short (5 m) straight secti on of the 3 GeV Diamond storage ring. The insertion device is a 4.2 T sup erconducting multipole wiggler. User experiments are possible with filtere d white beam or monochromatic X-rays in the energy range 53-150 keV from a bent Laue monochromator. The beam energy enables good penetration through large or dense samples\, combined with a large beam size from the wiggler fan (1 mrad horizontally × 0.3 mrad vertically). These beam characterist ics permit the study of materials and processes inside environmental chamb ers and on sample sizes that are more representative of bulk materials. X- ray techniques available are radiography\, tomography\, energy-dispersive diffraction and monochromatic 2D diffraction/scattering. I12 has establish ed a broad user community in materials science and processing\, chemical p rocessing\, biomedical engineering\, civil engineering\, environmental sci ence\, palaeontology and physics. The majority of experiments are time res olved\, in-situ studies\, often involving processing equipment brought by users\n\nhttps://indico.inp.nsk.su/event/24/contributions/1827/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1827/ END:VEVENT BEGIN:VEVENT SUMMARY:Small-Angle scattering applications to the analysis of aptamer str ucture and conformational changes DTSTART;VALUE=DATE-TIME:20200714T113000Z DTEND;VALUE=DATE-TIME:20200714T115000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1832@indico.inp.nsk.su DESCRIPTION:Speakers: Roman Moryachkov (Kirensky Institute of Physics)\nAt present different agents are developing for diagnostics and treatment of cancer - one of the main reasons of human deaths. Especially perspective e xamples are aptamers - single-stranded DNA or RNA molecules which are comp act analogs of the antibodies with low immune response\, have a short leng th (10-100 nucleotides)\, well-defined spatial structure and surface charg e distribution providing highly specific binding with their targets - prot eins in the tumor cells. It allows one to use aptamers as the agents for t he visualisation the cancer cells and tissues in organism and also as the carriers for active molecules\, labels\, nanoparticles\, toxic entities to deseased tissue cells. To define the function and parameters of the activ ity for the aptamers and to localize the specific binding epitopes on the surface of both aptamers and the target proteins\, it is necessary to know the spatial structure of these molecules.\nFor this purpose the Small-Ang le X-ray Scattering (SAXS) method was used\, which is applied in a high qu ality at the synchrotron radiation sources due to the high intensity of th e emitted X-rays\, ability to change the wavelength and beam size for the experiment. SAXS method is used to carry out the measurements on the biomo lecules in solution\, without crystallisation which is mostly impossible f or single-stranded nucleic acids. One can create a native environment for the molecules under study\, or inversely to track the conformational chang es during varying temperature\, pH and other parameters.\nHere we present the results of revealing and adjusting the 3D spatial structures of the DN A molecules using the SAXS method in solution and the molecular simulation method based on the experimental SAXS data. This combination yields an in formation about the molecule structure\, possible conformational changes\, parameters of the aptamer-protein complexation\, that in a perspective wi ll be useful to optimize the development procedure of the theranostics age nts against the socially important deseases.\n\nThis work is partially sup ported by RFBR grant №18-32-00478.\n\nhttps://indico.inp.nsk.su/event/24 /contributions/1832/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1832/ END:VEVENT BEGIN:VEVENT SUMMARY:Nitrogen doped diamond single crystals for x-ray optics applicatio ns DTSTART;VALUE=DATE-TIME:20200714T131000Z DTEND;VALUE=DATE-TIME:20200714T133000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1856@indico.inp.nsk.su DESCRIPTION:Speakers: Sergey Shevyrtalov (Immanuel Kant Baltic Federal Uni versity\, Kaliningrad\, Russia)\nHere we present our latest achievements r egards diamond single crystal growth and characterization by means of X-ra y diffraction. Synthetic diamond crystals were grown by the temperature gr adient method using a high-pressure apparatus of the ‘‘split sphere’ ’ type (BARS) at P=5.7 GPa and T=1550 °C with the use of a Ni0.7Fe0.3 a lloy as a solvent-catalyst. It has been shown that dislocation-free region s in these crystals occupy about 58 mm3. Two diamond plates oriented by (1 11) plane with 3x3 mm2 surface area were cleaved from the outer parts of t wo single crystals\, followed by mechanical polishing from both sides. It was found that the plates contained nitrogen impurities predominantly in t he form of isolated substitutional atoms (C-centers\, type Ib) with concen trations in the range of 100–150 ppm.\nDiamond plates were characterized by means of high-resolution rocking curve imaging (RCI) performed at P01 beamline at DESY. The samples were studied at room temperature in the Brag g geometry using monochromatic radiation with energy of 14.41 keV. The ene rgy resolution provided by high-resolution Si (4 0 0)(10 6 4) monochromato r was ∆E/E = 10-7. Rocking curves were collected from (333) reflection i n a pixel-by-pixel manner by 2D-detector with 55-µm pixel size with a tot al surface area of 256x256 pixels. RCI showed an overall good quality of t he diamond plates close to the central area. The FWHM mean value at the de fect- and strain-free areas lie in scope of 0.5 µrad deviation from the t heoretical value that is suitable for XFEL and 4th generation synchrotron sources optical applications like beam splitters and monochromators. Defec t- and strain-free areas were found to be 1x2.2 and 1x1.6 mm2. The working area of the crystal #1 exceeds 50% of the whole crystal surface. Further improvement of the cutting in couple with polishing process will lead to t he large Ib diamond crystals (more than 6 mm2) with larger working area.\n \nhttps://indico.inp.nsk.su/event/24/contributions/1856/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1856/ END:VEVENT BEGIN:VEVENT SUMMARY:In situ XRD study of the reduction of mixed Mn-Co oxide DTSTART;VALUE=DATE-TIME:20200714T125000Z DTEND;VALUE=DATE-TIME:20200714T131000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1887@indico.inp.nsk.su DESCRIPTION:Speakers: Olga Bulavchenko (Boreskov Institute of Catalysis)\n The reducibility of oxides is an essential characteristic of catalyst of d ifferent reactions. First of all\, it is important for oxidation reactions following the Mars-van Krevelen mechanism. In this mechanism\, a weakly b ound surface oxygen atom is added to forming the oxygenated compound\, lea ving behind an oxygen vacancy on the surface. Then\, the molecular oxygen react with the surface\, dissociate and refill the vacancy. In this case\, reducibility of oxide catalyst measures the tendency of oxide to lose oxy gen or to donate it to an adsorbed species. Secondly\, reduction can be an activation stage of Fischer-Tropsch synthesis\, stream reforming and wate r-gas shift reaction. The catalysts activation leads to transformation fro m oxide state to metallic\, depending on the reductive conditions the stat e of active sites can be changed significantly. Mn-containing oxides can e ffectively catalyze the oxidation of hydrocarbons\, CO and chlorcarbons. C ooperative utilize of Mn and another oxide leads to synergetic effect – increase in catalytic activity as compared with simple oxides. In double m etal oxide catalysts\, the formation of mixed oxides is possible. The purp ose of this work was to elucidate influence of redox properties of solid s olutions on the catalytic performance. A series of catalysts based on mixe d Mn-Co oxides with different molar ratios of cations have been prepared b y coprecipitation. Reduction mechanism of Mn-containing catalysts with hyd rogen was studied by a TPR-H2\, in situ XRD\, and in situ XPS\, XANES. It was shown that the mechanism of reduction of Mn-Co oxides with hydrogen di ffers significantly from the processes occurring on simple oxides. The red uction of Mn-Co oxides occurs in two steps: (Mn\,Co)3O4 transforms to (Mn\ ,Co)O solid solutions\, then the reduction of solid solutions (Mn\,Co)O to metallic cobalt Co and MnO proceeds. Correlations between the redox prope rties and the catalytic activity in the CO oxidation reaction have been fo und.\nAcknowledgement. The reported study was funded by RFBR according to the research project № 18-33-00542 and the framework of the budget proje ct for Boreskov Institute of Catalysis.\n\nhttps://indico.inp.nsk.su/event /24/contributions/1887/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1887/ END:VEVENT BEGIN:VEVENT SUMMARY:XRD Diagnostics of Functional Materials at SSTRC DTSTART;VALUE=DATE-TIME:20200714T101000Z DTEND;VALUE=DATE-TIME:20200714T103000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1036@indico.inp.nsk.su DESCRIPTION:Speakers: Alexander Shmakov (Boreskov Institute of Catalysis S D RAS)\nThe studies of the structure\, phase composition and phase transfo rmation of functional materials such as catalysts\, sorbents\, ion conduct ors\, coatings\, etc. are performed at Beamlines No.2 and No.6 of VEPP-3 a nd No.8 of VEPP-4M electron storage rings at Siberian Synchrotron and Tera hertz Radiation Centre. The Beamline No.2 is dedicated to high resolution X-ray powder diffraction experiments\; the Beamline No.6 operates as X-ray diffractometer for In Situ and Operando studies\, while the facility at B eamline No.8 provides high energy X-ray diffraction\, up to 100-120 keV. T he report comprises description of the experiments on the phase compositio n of Ga-activated aluminum\, oxygen mobility in Ruddlesden-Popper phases\, reduction process of mixed oxides\, local structure of heterogeneous cata lysts by means of Total Scattering and Pair Distribution Functions techniq ue\, and so on.\n\nhttps://indico.inp.nsk.su/event/24/contributions/1036/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1036/ END:VEVENT BEGIN:VEVENT SUMMARY:Structural analysis of catalysts using the atomic pair distributio n function DTSTART;VALUE=DATE-TIME:20200714T111000Z DTEND;VALUE=DATE-TIME:20200714T113000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1854@indico.inp.nsk.su DESCRIPTION:Speakers: Vera Pakharukova (Boreskov Institute of Catalysis)\n The elaboration of catalytic materials is related to abilities to effectiv ely probe nano-scale structures. There is significant drawback to common X RD methods addressed to well-crystallized materials\, since catalyst compo nents are often highly dispersed and present at low concentrations. The Pa ir Distribution Function (PDF) analysis based on operating with total scat tering data is one of the techniques of choice for structural characteriza tion of catalytic materials. Structural characterization of catalysts by t he PDF analysis has attracted particular interest in the last years\; the method has already proven itself a powerful technique for the study on hig hly dispersed\, defect-rich and amorphous components of catalysts. The PDF describes local atomic structure of the material and provides structural information in the form of a radial distribution function of inter-atomic distances.\nIn the talk\, the PDFs calculated from synchrotron radiation d ata for different catalysts will be presented and types of structural info rmation extracted from the PDFs will be discussed. The possibilities of th e method to probe structure of supported nanoparticles in catalysts will b e shown for some examples: 1) mono- and bimetallic (Pt\, Rh)/γ-Al2O3 cata lysts for hydrocarbon oxidation\; 2) Ni/CeO2 catalyst for CO methanation 3 ) MoS2/Al2O3 hydrotreating catalysts. The data will illustrate that the PD F analysis is effective tool for study on structural organization of the s upported catalysts and can be used to not only determine the nanoparticle structure but also assess particle shape\, size of atomic ordering.\n\nhtt ps://indico.inp.nsk.su/event/24/contributions/1854/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1854/ END:VEVENT BEGIN:VEVENT SUMMARY:Investigation of the local phase composition and morphology of las er welded joints based on titanium and aluminum alloys by hard synchrotron radiation diffraction methods. DTSTART;VALUE=DATE-TIME:20200714T103000Z DTEND;VALUE=DATE-TIME:20200714T105000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1041@indico.inp.nsk.su DESCRIPTION:Speakers: Alexey Ancharov (Institute of Solid State Chemistry and Mechanochemistry SB RAS)\nLaser welding is one of the most promising m ethods in comparison with other methods of welding dissimilar materials. T his method does not require the use of additional materials\, special edge processing\, and also has a high welding speed. The aim of the work was t o study the phase composition and morphology of various zones of the welde d joint between alloys based on aluminum and titanium. . The phase composi tion and morphology of the welds were studied at the experimental station of the 4th SI channel from the VEPP-3 storage ring. We used the technique of shooting in the light. A thin beam (0.1 mm across the width of the seam and 0.4 mm along the length of the seam) of monochromatic synchrotron rad iation passes through the welded joint and gives a two-dimensional diffrac tion pattern recorded by a two-coordinate flat detector. The use of synchr otron radiation made it possible to identify the fundamental laws of the f ormation of the micro and nano structure of the weld\, to determine the ma in phase composition. Scanning with a thin SR beam for the first time inve stigated the structural-phase composition of laser welded joints of dissim ilar materials in different zones of the weld from titanium to aluminum at different displacements of the laser beam. This allowed us to choose a we lding mode in which the strength of a heterogeneous weld increased by 2.5 times. \nThis method\, due to the small diameter of the focused radiatio n\, makes it possible to obtain a thin diffusion zone in which intermetall ic compounds are formed\, vary the width of this zone due to the movement of laser radiation\, and thereby change the mechanical characteristics of the resulting dissimilar welded joints. \nThe work on optimizing welding conditions and studying the microstructure was carried out in the framewo rk of the Program of Fundamental Scientific Research of the State Academie s of Sciences for 2013-2020 (project AAAA-A17-117030610122-6). The work wa s carried out using the equipment of the Mechanics and Processing Center ( ITAM SB RAS). Diffraction studies were carried out using the infrastructur e of the Siberian Center for Synchrotron and Terahertz Radiation as part o f the state task of the Institute of Chemical Technology and Technology of the SB RAS (project No. AAAA-A17-117030310280-6).\n\nhttps://indico.inp.n sk.su/event/24/contributions/1041/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1041/ END:VEVENT BEGIN:VEVENT SUMMARY:In situ synchrotron x-ray diffraction study of face-centered cubic platinum hydride and phase diagram of PtH DTSTART;VALUE=DATE-TIME:20200714T121000Z DTEND;VALUE=DATE-TIME:20200714T123000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1821@indico.inp.nsk.su DESCRIPTION:Speakers: Anna Semerikova (Novosibirsk State University)\nRece nt extensive research on high-temperature superconductivity in compressed binary hydrogen-rich compounds generat-ed a large corpus of phase stabilit y calculations with an evident lack of their experimental verification. Pt -H system at high pressure represent a typical example of inconsistency be tween computational approach\, which predicted stability of eight PtH stru ctures\, and experiments revealing the existence of only two modifications : hexagonal close-packed (hcp) PtH (alt-hough at drastically lower pressur es than predicted)\, and trigonal PtH (not foreseen by ab initio calculati ons). Of particular interest is face-centered cubic (fcc) platinum hydride - a product of hydrogen intercalation into the native structure of fcc Pt . This phase was predicted to be nearly isoentalpic to the hcp PtH and sta ble between 93 and 105 GPa\, but has been never observed experimentally. H ere we report the first synthesis of the fcc PtH using laser heated diamon d anvil cell. The fcc plat-inum hydride was found to occupy high-temperatu re area of the phase diagram in a wide pressure range of 20 – 100 GPa. I t can be quenched\, although with partial transformation into the hcp phas e\, thus being metastable at room temperature. Our results look promising for uncovering weak approximations in current ab initio approaches\, used for computational model-ling of high-pressure hydrides stability. Moreover \, here we clarify the view on the inertness of Pt as a heat absorber in l aser-heating high-pressure experiments with hydrogen-containing systems.Th e research was carried out at PETRA III (DESY)\, Р02.2 Extreme conditions beamline\, proposal #I-20180048. \nThis work was supported by RFBR grant №18-35-20047.\n\nhttps://indico.inp.nsk.su/event/24/contributions/1821/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1821/ END:VEVENT BEGIN:VEVENT SUMMARY:PDF analysis of alumina containing systems DTSTART;VALUE=DATE-TIME:20200714T123000Z DTEND;VALUE=DATE-TIME:20200714T125000Z DTSTAMP;VALUE=DATE-TIME:20260411T044522Z UID:indico-contribution-208-1841@indico.inp.nsk.su DESCRIPTION:Speakers: Kristina Shefer (Boreskov Institute of Catalysis SB RAS)\nAlumina containing systems are of great significance for catalysis d ue to the unique properties of this oxide. These systems usually exist in nanoscale state. Their composition and physicochemical properties depend o n the preparation conditions. The appearance of novel methods of alumina s ynthesis give a new stimulus to the study of their structure and propertie s. Therefore such substances are interesting objects for research.\nThe mo st reliable structural information is extracted from direct structural dif fraction methods. In the case nanoscale catalytic systems\, using special methods which take into account the specific features of X-ray scattering from small objects is required. In this work\, structural features of alum inа-containing systems are examined using PDF method. Applying this metho d needs obtaining diffraction data in a wide range of angles and with high intensity. X-ray diffraction patterns for constructing the experimental c urves were obtained on a high-resolution diffractometer at the Siberian Sy nchrotron and Terahertz Radiation Center (Institute of Nuclear Physics\, S B RAS? Novosibirsk). The considered aluminum oxides were obtained by diffe rent methods with varying synthesis parameters: deposition method\, alumin ate method\, sol-gel method\, CTA method. \nThe work was supported by Russ ian Foundation for Basic Research (project #19-03-00595) and by Ministry o f Science and Higher Education of the Russian Federation (project # ААА А-А17-117041710079-8).\n\nhttps://indico.inp.nsk.su/event/24/contributio ns/1841/ LOCATION: Zoom 890 9721 5207 URL:https://indico.inp.nsk.su/event/24/contributions/1841/ END:VEVENT END:VCALENDAR