TY - JOUR A1 - Schlegel, Moritz-Caspar A1 - Russina, M. A1 - Günther, G. A1 - Grzimek, V. A1 - Gainov, R. A1 - Drescher, L. A1 - Kaulich, T. A1 - Graf, W. A1 - Urban, B. A1 - Daske, A. A1 - Grotjahn, K. A1 - Hellhammer, R. A1 - Buchert, G. A1 - Kutz, H. A1 - Rossa, L. A1 - Sauer, O.-P. A1 - Fromme, M. A1 - Wallacher, D. A1 - Kiefer, K. A1 - Klemke, B. A1 - Grimm, N. A1 - Gerischer, S. A1 - Tsapatsaris, N. A1 - Rolfs, K. T1 - Upgrade project NEAT02016 at Helmholtz Zentrum Berlin – What can be done on the medium power neutron source N2 - The neutron time-of-flight spectrometer NEAT has a long history of successful applications and is best suited to probe dynamic phenomena directly in the large time domain 10(-14) - 10(-10) s and on the length scale ranging from 0.05 to up to about 5 nm. To address user community needs for more powerful instrumental capabilities, a concept of the full upgrade of NEAT has been proposed. The upgrade started in 2010 after a rigorous internal and external selection process and resulted in 300-fold neutron count rate increase compared to NEAT01995. Combined with new instrumental and sample environmental capabilities the upgrade allows NEAT to maintain itself at the best world class level and provide an outstanding experimental tool for a broad range of scientific applications. The advanced features of the new instrument include an integrated guide-chopper system that delivers neutrons with flexible beam properties: either highly homogeneous beam with low divergence suitable for single crystals studies or "hot-spot" neutron distribution serving best small samples. Substantial increase of the detector angle coverage is achieved by using 416 He-3 position sensitive detectors. Placed at 3m from the sample, the detectors cover 20m(2) area and are equipped with modern electronics and DAQ using event recording techniques. The installation of hardware has been completed in June 2016 and on January 23, 2017 NEAT has welcomed its first regular users who took advantage of the high counting rate, broad available range of incoming neutron wavelengths and high flexibility of NEAT. Here we present details of NEAT upgrade, measured instrument characteristics and show first experimental results. KW - Neutron scattering KW - Neutron spectroscopy KW - Instrumentation KW - Time-of-flight neutron spectroscopy KW - Nanoscale dynamics PY - 2017 U6 - https://doi.org/10.1016/j.physb.2017.12.026 SN - 0921-4526 VL - 551 SP - 506 EP - 511 PB - Elsevier B.V. AN - OPUS4-43514 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schlegel, Moritz-Caspar A1 - Grzimek, V. A1 - Günther, G. A1 - Svetogorov, R. A1 - Veziri, C. M. A1 - Kapsi, M. A1 - Karanikolos, G. N. A1 - Prokhnenko, O. A1 - Bewley, R. A1 - Russina, M. T1 - Explaining water adsorption in one-dimensional channels in AlPO4-5 on molecular scale N2 - The adsorption of water in one-dimensional channels in porous aluminophosphate material AlPO4-5 has been studied by a combination of gravimetric Analysis techniques, neutron and X-ray diffraction and Neutron spectroscopy. Molecular structure of AlPO4-5 consists of 12-membered rings of alternating, corner-sharing AlO4 and PO4 tetrahedra connected by oxygen bridges into sheets in the (a, b) plane. The sheets are connected by oxygen bridges along the c crystal axis and form onedimensional channels of which the largest, formed by the 12-membered rings, have a van der Waals Diameter of about 8.3 Å. Gradually increasing the amount of adsorbed water we could follow the evolution of the confined water mobility in a systematic way and identify the molecular mechanism of water adsorption. We focused particularly on the range of low and medium relative pressures up to p/p0=0.32, where a Change from a hydrophobic behavior to a steep, capillary condensation like water intake has been observed. At the Initial adsorption stages water occupies positions close to the pore walls causing the contraction of channels in the (a, b) plane and the prolongation of the channels along c axis in AlPO4-5. With the progressing intake water molecules form chains along the main channels. The cooperative interactions between water molecules lead to the onset of phonon-like cooperative modes and, surprisingly, to the increase of diffusive-like motion, which slow down only in the final adsorption stages when AlPO4-5 channels are completely filled. KW - AlPO4-5 KW - Water adsorption KW - Confined water KW - 1-dimensional, KW - Diffusion PY - 2018 U6 - https://doi.org/10.1016/j.micromeso.2018.11.025 SN - 1387-1811 VL - 304 SP - 109201 PB - Elsevier Inc. AN - OPUS4-46798 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schönhals, Andreas A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed Aejaz A1 - Böhning, Martin A1 - Zamponi, M. A1 - Frick, B. A1 - Appel, M. A1 - Günther, G. A1 - Russina, M. A1 - Alentiev, D. A1 - Bermeshev, M. A1 - Zorn, R. T1 - Microscopic dynamics of highly permeable super glassy polynorbornenes revealed by quasielastic neutron scattering N2 - The molecular dynamics of addition-type poly(tricyclononenes) with Si-substituted bulky side groups has been investigated by a combination of neutron time-of-flight and neutron backscattering spectroscopy methods on a time scale from 0.1 ps to ca. 3 ns. The investigated poly(tricyclononenes) PTCNSi1 and PTCNSi2g both bear a high microporosity which makes them promising candidates for active separation layers for gas separation membranes. At least for larger gas molecules it is assumed that the pathways for diffusion require an enlargement of pre-existing micropores in terms of an activated zone. A low temperature relaxation process was found for both polymers by the performed neutron scattering experiments. This process was assigned to the methyl group rotation. It was analysed in terms of a jump diffusion in a three-fold potential. The analysis of the dependence of the elastic incoherent structure factor on the scattering vector yields the number of methyl groups which might be immobilized. For PTCNSi1 (3 methyl groups in the monomeric unit) it was found that all methyl groups take part in the methyl group rotation whereas for PTCNSi2g (6 methyl groups in monomeric unit) a considerable number of methyl groups are blocked in their rotation. This immobilization of methyl groups is due to the sterically demanding arrangement of the methyl groups in PTCNSi2g. This conclusion is further supported by the result that the activation energy for the methyl group rotation is three times higher for PTCNSi2g than that of PTCNSi1. KW - Highly permeably polynorbornenes KW - Polymers of intrinsic microporosity KW - Gas separation membranes KW - Quasielastic neutron scattering PY - 2021 U6 - https://doi.org/10.1016/j.memsci.2021.119972 SN - 0376-7388 VL - 642 PB - Elesevier B.V. AN - OPUS4-53508 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -