Search

Your search keyword '"high-precision X-ray diffraction"' showing total 8 results
Start Over Descriptor "high-precision X-ray diffraction"
8 results on '"high-precision X-ray diffraction"'

1. Novel experimental setup for megahertz X‐ray diffraction in a diamond anvil cell at the High Energy Density (HED) instrument of the European X‐ray Free‐Electron Laser (EuXFEL)

Author

Liermann, HP, Konôpková, Z, Appel, K, Prescher, C, Schropp, A, Cerantola, V, Husband, RJ, McHardy, JD, McMahon, MI, McWilliams, RS, Pépin, CM, Mainberger, J, Roeper, M, Berghäuser, A, Damker, H, Talkovski, P, Foese, M, Kujala, N, Ball, OB, Baron, MA, Briggs, R, Bykov, M, Bykova, E, Chantel, J, Coleman, AL, Cynn, H, Dattelbaum, D, Dresselhaus-Marais, LE, Eggert, JH, Ehm, L, Evans, WJ, Fiquet, G, Frost, M, Glazyrin, K, Goncharov, AF, Hwang, H, Jenei, Zs, Kim, J-Y, Langenhorst, F, Lee, Y, Makita, M, Marquardt, H, McBride, EE, Merkel, S, Morard, G, O'Bannon, EF, Otzen, C, Pace, EJ, Pelka, A, Pigott, JS, Prakapenka, VB, Redmer, R, Sanchez-Valle, C, Schoelmerich, M, Speziale, S, Spiekermann, G, Sturtevant, BT, Toleikis, S, Velisavljevic, N, Wilke, M, Yoo, C-S, Baehtz, C, Zastrau, U, and Strohm, C

Subjects
diamond anvil cells, X-ray free-electron lasers, high-precision X-ray diffraction, finite element modeling, Condensed Matter Physics, Optical Physics, Physical Chemistry (incl. Structural), Biophysics
Abstract

The high-precision X-ray diffraction setup for work with diamond anvil cells (DACs) in interaction chamber 2 (IC2) of the High Energy Density instrument of the European X-ray Free-Electron Laser is described. This includes beamline optics, sample positioning and detector systems located in the multipurpose vacuum chamber. Concepts for pump-probe X-ray diffraction experiments in the DAC are described and their implementation demonstrated during the First User Community Assisted Commissioning experiment. X-ray heating and diffraction of Bi under pressure, obtained using 20 fs X-ray pulses at 17.8 keV and 2.2 MHz repetition, is illustrated through splitting of diffraction peaks, and interpreted employing finite element modeling of the sample chamber in the DAC.

Published
2021

2. The Nature of Conformational Polymorphism in the Crystals of Ph3Sb(O2CCH2–CH=CH2)2.

Author

Fukin, G. K., Baranov, E. V., Cherkasov, A. V., and Rumyantsev, R. V.

Subjects
*EVAPORATION (Chemistry), *MOLECULAR conformation, *CRYSTALS
Abstract

Crystallization of the Ph3Sb(O2CCH2−CH=CH2)2 complex upon fast solvent (benzene) evaporation gives monoclinic crystals (I), whereas in the case of slow evaporation, triclinic crystals are formed (II). Also, monoclinic crystals are spontaneously transformed into triclinic crystals within 6 months. It was shown that the presence of voids near one carboxylate ligand in the monoclinic phase of Ph3Sb-(O2CCH2−CH=CH2)2 decreases the energy of intermolecular interactions and, as a consequence, leads to a conformational transition with a noticeable decrease in the crystal lattice energy. Thus, the presence of voids in the monoclinic phase crystal allows the formation of a thermodynamically more favorable conformation of the molecule in the crystal. Several structural models were determined for the Ph3Sb(O2CCH2−CH=CH2)2 complex (CIF files no. 1887561 (IIAM), model of non-interacting atoms; 1887562 (I), multipole model; 1887563 (IIIAM), model of non-interacting atoms; 1887564 (II), multipole model). [ABSTRACT FROM AUTHOR]

Published
2019
Full Text
View/download PDF

3. The Nature of Conformational Polymorphism in the Crystals of Ph3Sb(O2CCH2–CH=CH2)2.

Author

Fukin, G. K., Baranov, E. V., Cherkasov, A. V., and Rumyantsev, R. V.

Subjects
EVAPORATION (Chemistry), MOLECULAR conformation, CRYSTALS
Abstract

Crystallization of the Ph3Sb(O2CCH2−CH=CH2)2 complex upon fast solvent (benzene) evaporation gives monoclinic crystals (I), whereas in the case of slow evaporation, triclinic crystals are formed (II). Also, monoclinic crystals are spontaneously transformed into triclinic crystals within 6 months. It was shown that the presence of voids near one carboxylate ligand in the monoclinic phase of Ph3Sb-(O2CCH2−CH=CH2)2 decreases the energy of intermolecular interactions and, as a consequence, leads to a conformational transition with a noticeable decrease in the crystal lattice energy. Thus, the presence of voids in the monoclinic phase crystal allows the formation of a thermodynamically more favorable conformation of the molecule in the crystal. Several structural models were determined for the Ph3Sb(O2CCH2−CH=CH2)2 complex (CIF files no. 1887561 (IIAM), model of non-interacting atoms; 1887562 (I), multipole model; 1887563 (IIIAM), model of non-interacting atoms; 1887564 (II), multipole model). [ABSTRACT FROM AUTHOR]

Published
2019
Full Text
View/download PDF

4. Electron Density Distribution and Structural and Energy Aspects of the Phase Transition in the Crystals of the Triphenylantimony Dimethacrylate Complex.

Author

Fukin, G. K., Samsonov, M. A., Baranov, E. V., Cherkasov, A. V., Rumyantsev, R. V., and Arapova, A. V.

Subjects
*ELECTRON distribution, *ANTIMONY compounds, *METHACRYLATES, *PHASE transitions, *ATOMS in molecules theory, *X-ray diffraction
Abstract

Abstract: The electron density distribution in Ph3Sb(O2CC(Me)=CH2)2 ⋅ C6H6 and structural and energy aspects of the phase transition in the crystals of this compound were investigated using a series of common (Ib−Ie) and high-precision (Ia) X-ray diffraction experiments. A considerable difference between the root-mean-square atomic displacements in two chemically equivalent methyl groups of the methacrylate ligands was revealed. This difference was shown to be caused by considerable energy difference of the intra- and intermolecular contacts of the corresponding methyl groups. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

6. Novel experimental setup for megahertz X-ray diffraction in a diamond anvil cell at the High Energy Density (HED) instrument of the European X-ray Free-Electron Laser (EuXFEL)

Author

Liermann, H, Konôpková, Z, Appel, K, Prescher, C, Schropp, A, Cerantola, V, Husband, R, Mchardy, J, Mcmahon, M, Mcwilliams, R, Pépin, C, Mainberger, J, Roeper, M, Berghäuser, A, Damker, H, Talkovski, P, Foese, M, Kujala, N, Ball, O, Baron, M, Briggs, R, Bykov, M, Bykova, E, Chantel, J, Coleman, A, Cynn, H, Dattelbaum, D, Dresselhaus-Marais, L, Eggert, J, Ehm, L, Evans, W, Fiquet, G, Frost, M, Glazyrin, K, Goncharov, A, Hwang, H, Jenei, Z, Kim, J, Langenhorst, F, Lee, Y, Makita, M, Marquardt, H, Mcbride, E, Merkel, S, Morard, G, O'Bannon, E, Otzen, C, Pace, E, Pelka, A, Pigott, J, Prakapenka, V, Redmer, R, Sanchez-Valle, C, Schoelmerich, M, Speziale, S, Spiekermann, G, Sturtevant, B, Toleikis, S, Velisavljevic, N, Wilke, M, Yoo, C, Baehtz, C, Zastrau, U, Strohm, C, Liermann, H P, Husband, R J, McHardy, J D, McMahon, M I, McWilliams, R S, Pépin, C M, Ball, O B, Baron, M A, Coleman, A L, Dresselhaus-Marais, L E, Eggert, J H, Evans, W J, Goncharov, A F, Jenei, Zs, Kim, J Y, McBride, E E, O'Bannon, E F, Pace, E J, Pigott, J S, Prakapenka, V B, Sturtevant, B T, Yoo, C S, Liermann, H, Konôpková, Z, Appel, K, Prescher, C, Schropp, A, Cerantola, V, Husband, R, Mchardy, J, Mcmahon, M, Mcwilliams, R, Pépin, C, Mainberger, J, Roeper, M, Berghäuser, A, Damker, H, Talkovski, P, Foese, M, Kujala, N, Ball, O, Baron, M, Briggs, R, Bykov, M, Bykova, E, Chantel, J, Coleman, A, Cynn, H, Dattelbaum, D, Dresselhaus-Marais, L, Eggert, J, Ehm, L, Evans, W, Fiquet, G, Frost, M, Glazyrin, K, Goncharov, A, Hwang, H, Jenei, Z, Kim, J, Langenhorst, F, Lee, Y, Makita, M, Marquardt, H, Mcbride, E, Merkel, S, Morard, G, O'Bannon, E, Otzen, C, Pace, E, Pelka, A, Pigott, J, Prakapenka, V, Redmer, R, Sanchez-Valle, C, Schoelmerich, M, Speziale, S, Spiekermann, G, Sturtevant, B, Toleikis, S, Velisavljevic, N, Wilke, M, Yoo, C, Baehtz, C, Zastrau, U, Strohm, C, Liermann, H P, Husband, R J, McHardy, J D, McMahon, M I, McWilliams, R S, Pépin, C M, Ball, O B, Baron, M A, Coleman, A L, Dresselhaus-Marais, L E, Eggert, J H, Evans, W J, Goncharov, A F, Jenei, Zs, Kim, J Y, McBride, E E, O'Bannon, E F, Pace, E J, Pigott, J S, Prakapenka, V B, Sturtevant, B T, and Yoo, C S

Abstract

The high-precision X-ray diffraction setup for work with diamond anvil cells (DACs) in interaction chamber 2 (IC2) of the High Energy Density instrument of the European X-ray Free-Electron Laser is described. This includes beamline optics, sample positioning and detector systems located in the multipurpose vacuum chamber. Concepts for pump-probe X-ray diffraction experiments in the DAC are described and their implementation demonstrated during the First User Community Assisted Commissioning experiment. X-ray heating and diffraction of Bi under pressure, obtained using 20 fs X-ray pulses at 17.8 keV and 2.2 MHz repetition, is illustrated through splitting of diffraction peaks, and interpreted employing finite element modeling of the sample chamber in the DAC.

Published
2021

7. Novel experimental setup for megahertz X-ray diffraction in a diamond anvil cell at the High Energy Density (HED) instrument of the European X-ray Free-Electron Laser (EuXFEL)

Author

M. A. Baron, Leora E. Dresselhaus-Marais, Guillaume Morard, A. L. Coleman, Vitali B. Prakapenka, Mungo Frost, Jaeyong Kim, Julien Chantel, Dana M. Dattelbaum, Jon Eggert, Carsten Baehtz, Clemens Prescher, J. Mainberger, Guillaume Fiquet, William J. Evans, Edward J. Pace, A. Pelka, Richard Briggs, C. Strohm, Choong-Shik Yoo, Malcolm McMahon, Orianna B. Ball, P. Talkovski, Sven Toleikis, R. J. Husband, Konstantin Glazyrin, Georg Spiekermann, E. F. O'Bannon, Maxim Bykov, Karen Appel, Hauke Marquardt, Lars Ehm, M. Roeper, A. Schropp, H. Damker, Huijeong Hwang, Ulf Zastrau, Sébastien Merkel, J. D. McHardy, Sergio Speziale, Hanns-Peter Liermann, Falko Langenhorst, Blake T. Sturtevant, Emma McBride, Elena Bykova, Charles Pépin, C. Otzen, Naresh Kujala, Yongjae Lee, Zs. Jenei, Max Wilke, R. S. McWilliams, Ronald Redmer, M. Makita, Alexander F. Goncharov, Nenad Velisavljevic, Carmen Sanchez-Valle, Valerio Cerantola, A. Berghäuser, Hyunchae Cynn, M. Foese, Z. Konopkova, Markus O. Schoelmerich, Jeffrey S. Pigott, Deutsches Elektronen-Synchrotron [Hamburg] (DESY), University of Edinburgh, DAM Île-de-France (DAM/DIF), Direction des Applications Militaires (DAM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Université Paris-Saclay, Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Institut de recherche pour le développement [IRD] : UR206-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Lawrence Livermore National Laboratory (LLNL), Unité Matériaux et Transformations - UMR 8207 (UMET), Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Los Alamos National Laboratory (LANL), Stony Brook University [SUNY] (SBU), State University of New York (SUNY), Muséum national d'Histoire naturelle (MNHN)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Centre National de la Recherche Scientifique (CNRS), Yonsei University, Hanyang University, Friedrich-Schiller-Universität = Friedrich Schiller University Jena [Jena, Germany], University of Oxford, Institut des Sciences de la Terre (ISTerre), Institut national des sciences de l'Univers (INSU - CNRS)-Institut de recherche pour le développement [IRD] : UR219-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Université Gustave Eiffel-Université Grenoble Alpes (UGA), Case Western Reserve University [Cleveland], Consortium for Advanced Radiation Sources, University of Chicago, Institut für Physik [Rostock], Universität Rostock, Westfälische Wilhelms-Universität Münster = University of Münster (WWU), German Research Centre for Geosciences - Helmholtz-Centre Potsdam (GFZ), University of Potsdam = Universität Potsdam, Washington State University (WSU), European Project: 730872,CALIPSOplus, Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Centrale Lille Institut (CLIL), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Muséum national d'Histoire naturelle (MNHN)-Centre National de la Recherche Scientifique (CNRS), University of Oxford [Oxford], University of Münster, Universität Potsdam, Université de Lille, CNRS, INRA, ENSCL, Deutsches Elektronen-Synchrotron [Hamburg] [DESY], DAM Île-de-France [DAM/DIF], Helmholtz-Zentrum Dresden-Rossendorf [HZDR], Institut de minéralogie, de physique des matériaux et de cosmochimie [IMPMC], Lawrence Livermore National Laboratory [LLNL], Unité Matériaux et Transformations - UMR 8207 [UMET], Los Alamos National Laboratory [LANL], Stony Brook University [SUNY] [SBU], Institut des Sciences de la Terre [ISTerre], German Research Centre for Geosciences - Helmholtz-Centre Potsdam [GFZ], Washington State University [WSU], Liermann, H, Konôpková, Z, Appel, K, Prescher, C, Schropp, A, Cerantola, V, Husband, R, Mchardy, J, Mcmahon, M, Mcwilliams, R, Pépin, C, Mainberger, J, Roeper, M, Berghäuser, A, Damker, H, Talkovski, P, Foese, M, Kujala, N, Ball, O, Baron, M, Briggs, R, Bykov, M, Bykova, E, Chantel, J, Coleman, A, Cynn, H, Dattelbaum, D, Dresselhaus-Marais, L, Eggert, J, Ehm, L, Evans, W, Fiquet, G, Frost, M, Glazyrin, K, Goncharov, A, Hwang, H, Jenei, Z, Kim, J, Langenhorst, F, Lee, Y, Makita, M, Marquardt, H, Mcbride, E, Merkel, S, Morard, G, O'Bannon, E, Otzen, C, Pace, E, Pelka, A, Pigott, J, Prakapenka, V, Redmer, R, Sanchez-Valle, C, Schoelmerich, M, Speziale, S, Spiekermann, G, Sturtevant, B, Toleikis, S, Velisavljevic, N, Wilke, M, Yoo, C, Baehtz, C, Zastrau, U, Strohm, C, Konôpková, Z., 2European X-Ray Free-Electron Laser Facility GmbH, Holzkoppel 4, 22869 Schenefeld, Germany, Appel, K., Prescher, C., 1Photon Sciences, Deutsches Elektronen-Synchrotron (DESY), Notkestraße 85, Hamburg, Germany, Schropp, A., Cerantola, V., Husband, R. J., McHardy, J. D., 3School of Physics and Astronomy, Centre for Science at Extreme Conditions, and SUPA, University of Edinburgh, Peter Guthrie Tait Road, EdinburghEH9 3FD, United Kingdom, McMahon, M. I., Pépin, C. M., 4CEA, DAM, DIF, F-91297 Arpajon, France, Mainberger, J., Roeper, M., Berghäuser, A., 6Helmholtz Zentrum Dresden Rossendorf e.V., 01328 Dresden, Germany, Damker, H., Talkovski, P., Foese, M., Kujala, N., Ball, O. B., Baron, M. A., 7Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC), Sorbonne Université, UMR CNRS 7590, Musée National d'Histoire Naturelle, 4 Place Jussieu, Paris, France, Briggs, R., 8Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94550, USA, Bykov, M., 9Carnegie Science, Earth and Planets Laboratory, 5241 Broad Branch Road NW, Washington, DC 20015, USA, Bykova, E., Chantel, J., 10Université de Lille, CNRS, INRAE, Centrale Lille, UMR 8207 – UMET – Unité Matériaux et Transformations, F-59000 Lille, France, Coleman, A. L., Cynn, H., Dattelbaum, D., 11Los Alamos National Laboratory, Los Alamos, NM 87545, USA, Dresselhaus-Marais, L. E., Eggert, J. H., Ehm, L., 12Mineral Physics Institute, Stony Brook University, Stony Brook, NY 11794, USA, Evans, W. J., Fiquet, G., Frost, M., 13SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA, Glazyrin, K., Goncharov, A. F., Hwang, H., 14Department of Earth System Sciences, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 03722, Republic of Korea, Jenei, Zs., Kim, J.-Y., 15Department of Physics, Research Institute for High Pressure, Hanyang University, 222 Wangsimni-ro, Seoul 04763, Republic of Korea, Langenhorst, F., 16Institute of Geosciences, Friedrich Schiller University Jena, Carl-Zeiss-Promenade 10, 07745 Jena, Germany, Lee, Y., Makita, M., Marquardt, H., 17Department of Earth Sciences, University of Oxford, South Parks Road, OxfordOX1 3AN, United Kingdom, McBride, E. E., Merkel, S., Morard, G., O'Bannon, E. F., Otzen, C., Pace, E. J., Pelka, A., Pigott, J. S., Prakapenka, V. B., 20Center for Advanced Radiation Sources, University of Chicago, Chicago, IL 60637, USA, Redmer, R., 21Institut für Physik, Universität Rostock, D-18051 Rostock, Germany, Sanchez-Valle, C., 22Institut für Mineralogie, University of Münster, Münster, Germany, Schoelmerich, M., Speziale, S., 23GFZ German Research Centre for Geosciences, Telegrafenberg, 14473 Potsdam, Germany, Spiekermann, G., 24Institut für Geowissenschaften, Universität Potsdam, Karl-Liebknecht-Straße 24-25, 14476 Potsdam, Germany, Sturtevant, B. T., Toleikis, S., Velisavljevic, N., Wilke, M., Yoo, C.-S., 25Department of Chemistry, Institute of Shock Physics, and Materials Science and Engineering, Washington State University, Pullman, WA 99164, USA, Baehtz, C., Zastrau, U., and Strohm, C.

Subjects
Diffraction, Nuclear and High Energy Physics, Materials science, diamond anvil cells, X‐ray free‐electron lasers, x-ray free electron lasers, [SDU.STU]Sciences of the Universe [physics]/Earth Sciences, [PHYS.PHYS.PHYS-GEO-PH]Physics [physics]/Physics [physics]/Geophysics [physics.geo-ph], 02 engineering and technology, 01 natural sciences, Diamond anvil cell, law.invention, Optics, law, 0103 physical sciences, ddc:550, 010306 general physics, Instrumentation, high‐precision X‐ray diffraction, Radiation, [SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph], business.industry, X-ray free-electron lasers, high-precision X-ray diffraction, finite element modeling, Detector, Free-electron laser, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Laser, Research Papers, Beamline, high precision x-ray diffraction, X-ray crystallography, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], X-ray free-electron laser, Vacuum chamber, 0210 nano-technology, business, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], [SDU.STU.MI]Sciences of the Universe [physics]/Earth Sciences/Mineralogy
Abstract

Journal of synchrotron radiation 28(3), 688 - 706 (2021). doi:10.1107/S1600577521002551, The high-precision X-ray diffraction setup for work with diamond anvil cells (DACs) in interaction chamber 2 (IC2) of the High Energy Density instrument of the European X-ray Free-Electron Laser is described. This includes beamline optics, sample positioning and detector systems located in the multipurpose vacuum chamber. Concepts for pump–probe X-ray diffraction experiments in the DAC are described and their implementation demonstrated during the First User Community Assisted Commissioning experiment. X-ray heating and diffraction of Bi under pressure, obtained using 20 fs X-ray pulses at 17.8 keV and 2.2 MHz repetition, is illustrated through splitting of diffraction peaks, and interpreted employing finite element modeling of the sample chamber in the DAC., Published by Wiley-Blackwell, [S.l.]

Published
2021
Full Text
View/download PDF

8. High-precision X-ray diffraction data, experimental and theoretical study of 2 H-MoS.

Author

Naumov, N., Korlyukov, A., Piryazev, D., Virovets, A., and Fedorov, V.

Subjects
*X-ray diffraction, *CRYSTAL structure, *CHEMISTRY experiments, *METAL oxide semiconductors, *ELECTRON density, *DATA analysis
Abstract

The crystal structure of MoS was for the first time refined based on precise three-dimensional X-ray diffraction data collected from the synthesized single crystal. The results of the refinement using the Hansen-Coppens multipole model based on X-ray diffraction data and quantum chemical calculations for the molybdenum disulfide monolayer and single crystal were analyzed in terms of Bader's quantum theory of Atoms in Molecules (QTAIM). An analysis of the bond critical points (bcp) for S...S attests to a weak van der Waals interaction having the energy of ∼1.25 kcal mol per S...S contact and the binding energy of the layers of ∼7.5 kcal mol. [ABSTRACT FROM AUTHOR]

Published
2013
Full Text
View/download PDF

Catalog

Books, media, physical & digital resources
See catalog results