TY - GEN A1 - Brookes, S. A1 - Scholz, A. A1 - Klingelhöffer, Hellmuth A1 - Whittaker, M. A1 - Loveday, M. A1 - Wisby, A. A1 - Ryder, N. A1 - Lohr, R. A1 - Stekovic, S. A1 - Moverare, J. A1 - Holdsworth, S. A1 - Dudzinski, D. T1 - Code of practice for force-controlled thermo-mechanical fatigue testing N2 - Components in the Aerospace, Power and Automotive engineering sectors are frequently subjected to cyclic stresses induced by thermal fluctuations and mechanical loads. For the design of such components, reliable material property data are required which need to be acquired using well accepted and reproducible test procedures for thermo-mechanical fatigue (TMF) loading. Available materials TMF property data are limited so that there is a need for further TMF data generated by TMF testing. The TMF behaviour of materials is often desired to be simulated in models which describe the cyclic stress-strain behaviour, the fatigue life and the cyclic crack growth behaviour. There is a continuous need for the development and amendment of such models. Models can be validated by using materials in industrial applications which are subjected to TMF loading. KW - Force controlled TMF testing PY - 2015 UR - http://www.tmf-workshop.bam.de/en/tmf_media/code_of_practice_for_force_controlled_thermo-mechanical_fatigue_(2).pdf SP - 1 EP - 32 AN - OPUS4-35248 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Jentsch, H. A1 - Schwartz, A. A1 - Basedau, Frank A1 - Bazrafshan, K. A1 - Döring, H. A1 - Großwig, S. A1 - Hofmann, Detlef A1 - Kowalle, G. A1 - Kusche, Nadine A1 - Lorenz, R. A1 - Pfeiffer, T. A1 - Sadaghiani, M.R.S. A1 - Scholz, E. A1 - Senze, A. A1 - Tkachenko, Viktoriya A1 - Witt, K. J. ED - Xu, Y. L. ED - Zhu, S. ED - Xia, Y. ED - Ni, Y.Q. ED - Law, S.S. ED - Yin, J. H. ED - Su, Z.Q. T1 - Detection of slipping soil areas with embedded tiny vertical sensing rods N2 - Critical soil zones where large areas along a shear joint might begin to slip should be recognized. In order to avoid damage, monitoring of such unstable zones is necessary. First, soil movements must be detected as early as possible, second, the amount of deformation should be estimated. Because geodetical methods do not provide information about deformation in the underground in different depths, the only way to come to information from possible shear zones is the installation of deformation measurement systems. A special installation method was developed to bring a long-gauge length measurement system into a borehole and transfer data of soil deformations into an installed sensing rod. The mostly vertically installed sensing rod has an outer diameter of 3 mm to 6 mm and contains several optical fibres. One fibre provides integral strain information along the whole length of the rod. To get this information, the phase difference between the fibre input and output is measured and the change of the total length of the fibre can be derived. This easy and cheap online sensing system delivers an early warning of soil deformations respectively possible slip as well as landslides. In case of warning, the second sensing system based on Fibre Bragg Grating sensors located close to the expected shear zone purposefully. It records resulting deformations in detail. In this study, three main objectives were achieved: a) development of tiny pultruded sensing rods with integrated optical sensor fibres, b) installation technology which enables the integration of the sensing rod during drilling and pile driving, and c) development of a stiff but elastic racking material to fix the rod in the soil and to transfer soil deformation into the stiffer sensing rod. These three aspects including the fibre optical measurement systems are described; results from Press Deformation Test (PDT) are presented. Test results of the fibre optical online system are compared and evaluated with the results of conventional inclinometer measurements as well as numerical modelling. An outlook for further possibilities of usage of this monitoring system is given. T2 - SHMII-6 - 6th International conference on structural health monitoring of intelligent infrastructure CY - Hong Kong, China DA - 09.12.2013 KW - Structural health monitoring KW - Soil stability monitoring KW - Optical fibre strain-sensor KW - Geotechnical soil stability KW - Soil deformation modelling PY - 2013 SN - 978-962-367-768-4 SP - 1 EP - 9 AN - OPUS4-29915 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Masendorf, R. A1 - Müller, C. A1 - Henkel, C. A1 - Klingelhöffer, Hellmuth A1 - Klubberg, F. A1 - Scholz, A. A1 - Wagener, R. ED - Borsutzki, M. ED - Moninger, G. T1 - DIN 50100 Schwingfestigkeitsversuch - Aktueller Stand der Überarbeitung N2 - DIN 50100 definiert die Bedingungen für den Schwingfestigkeitsversuch, der zur Ermittlung von Kennwerten dient, die das Verhalten metallischer Werkstoffe und Bauteile bei zyklischer Beanspruchung mit einer konstanten Lastamplitude beschreiben (Wöhlerversuch). Die Norm umfasst die Versuchsdurchführung, die Versuchsauswertung sowie die Dokumentation von lastgeregelten Wöhlerversuchen im Zeit- und Langzeitfestigkeitsbereich. Mit DIN 50100 soll erreicht werden, dass die Wöhlerlinien verschiedener Prüfstellen miteinander vergleichbar und die wesentlichen Randbedingungen der Versuchsdurchführung dokumentiert werden. Da die Ergebnisse von Schwingfestigkeitsversuchen streuen, ist die Treffsicherheit für die Schätzung der Kennwerte von der Anzahl der Versuche einer Versuchsreihe abhängig. In Abhängigkeit von einer geforderten Treffsicherheit wird durch die DIN 50100 der erforderliche Stichprobenumfang vorgegeben. T2 - Tagung Werkstoffprüfung 2014 - Fortschritte in der Werkstoffprüfung für Forschung und Praxis CY - Bad Neuenahr, Germany DA - 03.12.2015 PY - 2015 SN - 978-3-514-00816-8 SP - 175 EP - 180 PB - Verlag Stahleisen CY - Düsseldorf AN - OPUS4-35176 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scholz, Philipp A1 - Putna-Nimane, I. A1 - Barda, I. A1 - Liepina-Leimane, I. A1 - Strode, E. A1 - Kileso, A. A1 - Esiukova, E. A1 - Chubarenko, B. A1 - Purina, I. A1 - Simon, Franz-Georg T1 - Environmental impact of geosynthetics in coastal protection N2 - Geosynthetic materials are applied in measures for coastal protection. Weathering or any damage of constructions, as shown by a field study in Kaliningrad Oblast (Russia), could lead to the littering of the beach or the sea (marine littering) and the discharge of possibly harmful additives into the marine environment. The ageing behavior of a widely used geotextile made of polypropylene was studied by artificial accelerated ageing in water-filled autoclaves at temperatures of 30 to 80 °C and pressures of 10 to 50 bar. Tensile strength tests were used to evaluate the progress of ageing, concluding that temperature rather than pressure was the main factor influencing the ageing of geotextiles. Using a modified Arrhenius equation, it was possible to calculate the half-life for the loss of 50% of the strain, which corresponds to approximately 330 years. Dynamic surface leaching and ecotoxicological tests were performed to determine the possible release of contaminants. No harmful effects on the test organisms were observed. KW - Geosynthetics KW - Geotextiles KW - Dynamic surface leaching test KW - Artificial ageing KW - Marine littering PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-520576 DO - https://doi.org/10.3390/ma14030634 SN - 1996-1944 VL - 14 IS - 3 (Special issue: Measurement of the environmental impact of materials) SP - 634-1 EP - 634-13 PB - MDPI CY - Basel AN - OPUS4-52057 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chubarenko, B. A1 - Domnin, D. A1 - Simon, Franz-Georg A1 - Scholz, Philipp A1 - Leitsin, V. A1 - Tovpinets, A. A1 - Karmanov, K. A1 - Esiukova, E. T1 - Change over Time in theMechanical Properties of Geosynthetics Used in Coastal Protection in the South-Eastern Baltic N2 - The most massive design on the Baltic shore used geosynthetic materials, the landslide protection construction in Svetlogorsk (1300 m long, 90,000 m2 area, South-Eastern Baltic, Kaliningrad Oblast, Russian Federation) comprises the geotextile and the erosion control geomat coating the open-air cliff slopes. Due to changes in elastic properties during long-term use in the open air, as well as due to its huge size, this structure can become a non-negligible source of microplastic pollution in the Baltic Sea. Weather conditions affected the functioning of the structure, so it was assessed that geosynthetic materials used in this outdoor (open-air) operation in coastal protection structures degraded over time. Samples taken at points with different ambient conditions (groundwater outlet; arid places; exposure to the direct sun; grass cover; under landslide) were tested on crystallinity and strain at break. Tests showed a 39–85% loss of elasticity of the polymer filaments after 3 years of use under natural conditions. Specimens exposed to sunlight are less elastic and more prone to fail, but not as much as samples taken from shaded areas in the grass and under the landslide, which were the most brittle. KW - Geosynthetics KW - Microplastic KW - Degradation PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-567978 UR - https://www.mdpi.com/2077-1312/11/1/113 DO - https://doi.org/10.3390/jmse11010113 SN - 2077-1312 VL - 11 IS - 1 SP - 1 EP - 14 PB - MDPI CY - Basel AN - OPUS4-56797 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Woydt, Mathias A1 - Scholz, Christian A1 - Manier, Charles-Alix A1 - Brückner, A. A1 - Weihnacht, V. T1 - Slip-rolling resistance of ta-C and a-C coatings up to 3,000 MPa of maximum Hertzian contact pressure N2 - The slip-rolling resistances of hard and stiff thin films under high Hertzian contact pressures can be improved by optimizing the 'coating/substrate systems'. It is known from former investigations that the so-called 'egg-shell' effect is no general hindrance for high slip-rolling resistance of thin hard coatings. The coating stability depends more on specific deposition process and coating/substrate interface design. In this article it is experimentally shown, that pure amorphous carbon thin films with hardness between 15 and 63 GPa can be slip-rolling resistant several million load cycles under a maximum Hertzian contact pressures of up to 3.0 GPa. Whereas all coatings were stable up to 10 million load cycles in paraffin oil at room temperature, reduced coating lifetime was found in SAE 0W-30 engine oil at 120°C. It was shown how the coating hardness and the initial coating surface roughness influence the running-in process and coating lifetime. No clear correlation between coating hardness and coating lifetime could be observed, but friction coefficients seem to be reduced with higher coating hardness. Very low friction down to ~0.03 in unmodified engine oils was found for the hardest ta-C film.------------------------------------------------------------------------------------------------------------------------------------------------ Die Wälzbeständigkeit von harten und steifen Dünnschichten unter hohen Hertzschen Kontaktpressungen kann durch die Optimierung des 'Beschichtung/Substrat Systems' deutlich verbessert werden. Aus vorangegangenen Untersuchungen ist bekannt, dass der so genannte 'Eierschaleneffekt' kein generelles Hindernis für eine hohe Wälzbeständigkeit für harte Dünnschichten darstellen muss. Die Stabilität der Beschichtungen hängt vielmehr von dem spezifischen Prozessparametern und dem Schicht/Substrat Grenzflächendesign ab. In diesem Artikel wird experimentell nachgewiesen, dass reine amorphe Kohlenstoffdünnschichten mit Härtewerten zwischen 15 und 63 GPa für mehrere Millionen Lastzyklen unter maximalen Hertzschen Kontaktpressungen bis 3.0 GPa überrollbeständig sein können. Während alle Beschichtungen bis 10 Millionen Lastzyklen in Paraffinöl bei Raumtemperatur keine Defekte aufweisen wurde unter Verwendung eines SAE 0W-30 Motorenöls bei 120°C eine Verringerung der Überrollbeständigkeit nachgewiesen. Es wurde nachgewiesen, wie die Schichthärte und ursprüngliche Oberflächenrauheit der Beschichtung den Einlaufprozess und die Lebensdauer beeinflussen. Es konnte keine offensichtliche Korrelation zwischen Schichthärte und Lebensdauer festgestellt werden, allerdings wurde eine scheinbare Reduktion des Reibwertes mit steigender Schichthärte beobachtet werden. Dabei zeigte die härteste ta-C Schicht unter Verwendung des Motorenöls sehr geringe Reibwerte mit ~0.03. KW - ta-C KW - a-C KW - Friction KW - Wear KW - Slip-rolling KW - Rolling contact fatigue KW - Reibung KW - Verschleiß KW - Wälzen KW - Rollkontaktermüdung PY - 2012 DO - https://doi.org/10.1002/mawe.201200956 SN - 0933-5137 SN - 1521-4052 VL - 43 IS - 12 SP - 1019 EP - 1028 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-27602 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Christian A1 - Scholz, Philipp A1 - Kalbe, Ute A1 - Caliebe, W. A1 - Tayal, A. A1 - Vasala, S. J. A1 - Simon, Franz-Georg T1 - Speciation of antimony and vanadium in municipal solid waste incineration ashes analyzed by XANES spectroscopy N2 - The use of ashes from municipal solid waste incineration as secondary building materials is an important pillar for the circular economy in Germany. However, leaching of potential toxic elements from these materials must be at environmentally acceptable levels. Normally, a three-month ageing period immobilizes most hazardous heavy metals, but antimony (Sb) and vanadium (V) showed previously unusual leaching. In order to clarify the mechanisms, we analyzed the Sb and V species in various bottom and fly ashes from municipal waste incineration by XANES spectroscopy. Antimony oxidizes from Sb(+ III) species used as flame retardants in plastics to Sb(+ V) compounds during waste incineration. However, owing to the similarity of different Sb(+ V) compound in the Sb K- and L-edge XANES spectra, it was not possible to accurately identify an exact Sb(+ V) species. Moreover, V is mainly present as oxidation state + V compound in the analyzed ashes. However, the coarse and magnetic fraction of the bottom ashes contain larger amounts of V(+ III) and V(+ IV) compounds which might enter the waste incineration from vanadium carbide containing steel tools. Thus, Sb and V could be critical potential toxic elements in secondary building materials and long-term monitoring of the release should be taken into account in the future. KW - Müllverbrennung KW - XANES spectroscopy PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-599841 DO - https://doi.org/10.1007/s10163-024-01954-2 SN - 1438-4957 VL - 26 SP - 2152 EP - 72158 PB - Springer Science and Business Media LLC AN - OPUS4-59984 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nofz, Marianne A1 - Stößer, R. A1 - Sebastian, S. A1 - Scholz, G. A1 - Willer, M. A1 - Jeschke, G. A1 - Schweiger, A. T1 - Pulse EPR Spectroscopy of Cu2+ - Doped Inorganic Glasses KW - EPR Spectroscopy KW - Inorganic glasses PY - 1999 SN - 0937-9347 SN - 1613-7507 IS - 16 SP - 507 EP - 528 PB - Springer CY - Wien AN - OPUS4-760 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Burgbacher, G. A1 - Kafka, P. A1 - Klein, G. A1 - Konersmann, Rainer A1 - Loock, J. A1 - Rupp, M. A1 - Scholz, A. A1 - Seel, H. A1 - Spitzer, C. T1 - Risikoabschätzung Chlorlagerung/Chlortransport unter Einbeziehung der Seveso II-Richtlinie und der Störfallverordnung (2000) N2 - Die BAM, Berlin, die Gesellschaft für Anlagen- und Reaktorsicherheit (GRS), Köln, und der TÜV Süd, München, erarbeiteten eine vergleichende Untersuchung (Risikostudie) an einer realen Anlage zur Lagerung - einschließlich des Transports - von Chlor als für die Studie geeigneten gefährlichen Stoff. T3 - BAM Forschungsberichtreihe - 269 PY - 2005 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-1820 SN - 978-3-86509-319-1 SN - 0938-5533 VL - 269 SP - 1 EP - 240 PB - Wirtschaftsverlag NW CY - Bremerhaven AN - OPUS4-182 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jahnke, Annika A1 - Beck, Aaron J. A1 - Becker, Richard L. A1 - Bedulina, Daria A1 - Braun, Ulrike A1 - Gerdts, Gunnar A1 - Hildebrandt, Lars A1 - Joerss, Hanna A1 - Klein, Ole A1 - Korduan, Janine A1 - Laforsch, Christian A1 - Lannig, Gisela A1 - Leslie, Heather A. A1 - Lips, Stefan A1 - Menger, Frank A1 - Nabi, Deedar A1 - Oberbeckmann, Sonja A1 - Primpke, Sebastian A1 - Pröfrock, Daniel A1 - Ramsperger, Anja F.R.M. A1 - Römerscheid, Mara A1 - Schmitt-Jansen, Mechthild A1 - Scholz-Böttcher, Barbara M. A1 - Tröppner, Oliver A1 - Wendt-Potthoff, Katrin A1 - Kühnel, Dana T1 - Perspective article: Multisectoral considerations to enable a circular economy for plastics N2 - Plastics are widely used but improper disposal and release lead to increasing global pollution, threatening environmental and human health. To address this issue, we suggest intersectoral collaboration to achieve zero plastic pollution. The outcomes of the project P-LEACH demonstrated the enormous complexity and range of potential toxic effects of plastic-associated chemicals and micro-/nanoplastics released into water from UV-weathered plastics. We initiated an intersectoral dialogue amongst scientists, manufacturers, regulators and representatives of civil society about how to alleviate the negative impacts of plastic pollution. Circular economy offers a framework for selecting non-toxic chemicals, extending product (re)use, and waste reduction, which act to alleviate pollution when applied to plastics. We suggest three measures to advance a circular economy of plastics: 1.) Increase simplicity of chemicals in virgin plastics combined with transparent information on the contents; 2.) Consider recyclability already in plastic material and product design; 3.) Foster communication through intersectoral dialogue. Major cornerstones are the provision of standardized, easy-to-use tools to characterize plastics and plastic leachates chemically and (eco)toxicologically, the enhancement of citizen awareness enabling them to make informed choices, the creation of economic incentives for manufacturers, and sector-specific regulations to provide products that safeguard environmental and human health. KW - Plastics KW - Circular economy KW - Cross-sectoral dialogue KW - Recyclability KW - Plastic-associated chemicals PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638280 DO - https://doi.org/10.1016/j.jhazmat.2025.139326 SN - 0304-3894 VL - 496 SP - 1 EP - 9 PB - Elsevier B.V. AN - OPUS4-63828 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scholz, Norman A1 - Jadhav, A. A1 - Shreykar, M. A1 - Behnke, Thomas A1 - Nirmalananthan-Budau, Nithiya A1 - Resch-Genger, Ute A1 - Sekar, N. T1 - Coumarin-rhodamine hybrids-novel probes for the optical measurements of viscosity and polarity N2 - A comprehensive systematic study of Absorption and fluorescence properties in solvents of varying viscosity and polarity of three novel and red-emitting coumarin-rhodamine hybrid derivatives with differences in the rigidity of their substituents is presented. This includes ethanol-polyethylene glycol, toluene-polyethylene glycol, and tolueneparaffin mixtures. Moreover, protonation-induced effects on the spectroscopic properties are studied. A viscosity-induced emission enhancement was observed for all coumarin-rhodamine hybrid derivatives. MCR2 bearing a julolidine donor showed the expected low sensitivity to viscosity whereas MCR3 with its freely rotatable diphenylamino Substituent revealed a particularly pronounced sensitivity to this parameter. Moreover, MCR2 shows an enhancement in Emission in the open, i.e., protonated form in conjunction with a largely Stokes shift fluorescence in the deep red spectral region. This enables the application of these dyes as viscosity sensors and as far red emitting pH-sensitive probes. KW - Fluorescence KW - Dye KW - Quantum yield KW - Viscosity KW - Polarity KW - Environment KW - Probe KW - Coumarin KW - Rhodamine KW - Synthesis PY - 2017 DO - https://doi.org/10.1007/s10895-017-2165-4 SN - 1573-4994 SN - 1053-0509 N1 - Geburtsname von Nirmalananthan-Budau, Nithiya: Nirmalananthan, N. - Birth name of Nirmalananthan-Budau, Nithiya: Nirmalananthan, N. VL - 27 IS - 6 SP - 1949 EP - 1956 PB - CrossMark AN - OPUS4-42584 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kothavale, S. A1 - Jadhav, A. G. A1 - Scholz, Norman A1 - Nirmalananthan-Budau, Nithiya A1 - Behnke, Thomas A1 - Resch-Genger, Ute A1 - Sekar, N. T1 - Corrigendum to "Deep red emitting triphenylamine based coumarin-rhodamine hybrids with large stokes shift and viscosity sensing: Synthesis, photophysical properties and DFT studies of their spirocyclic and open forms" [Dyes Pigments 137 (2017) 329-341] N2 - We designed and synthesized triphenylamine based and coumarin fused rhodamine hybrid dyes and characterized using 1H, 13C NMR and HR-LCMS analysis. Both the newly synthesized hybrid dyes were found to show red shifted absorption as well as emissions and large Stokes shift (40e68 nm) as compared to the small Stokes shift (25e30 nm) of reported dyes Rhodamine B and 101. Photophysical properties of these dyes were studied in different solvents and according to the solvents acidity or basicity they preferred to remain in their spirocyclic or open form in different ratio. We studied the spirocyclic as well as open form derivatives of these dyes for their viscosity sensitivity in three different mixture of solvents i.e. polar-protic [EtOH-PEG 400], polar-aprotic [toluene-PEG 400] and non-polaraprotic [toluene-paraffin]. They are found to show very high viscosity sensitivity in polar-protic mixture of solvents [EtOH-PEG 400] and hence concluded that both polarity as well as viscosity factor worked together for the higher emission enhancement rather than only viscosity factor. As these dyes showed very high viscosity sensitivity in their spirocyclic as well as open form, they can be utilized as viscosity sensors in visible as well as deep red region. We also correlated our experimental finding theoretically by using Density Functional theory computations. KW - Dye KW - Fluorescence KW - Synthesis KW - Quantum yield KW - Lifetime KW - Coumarin KW - Rhodamine KW - Probe KW - Viscosity PY - 2018 DO - https://doi.org/10.1016/j.dyepig.2017.06.021 SN - 0143-7208 SN - 1873-3743 N1 - Geburtsname von Nirmalananthan-Budau, Nithiya: Nirmalananthan, N. - Birth name of Nirmalananthan-Budau, Nithiya: Nirmalananthan, N. VL - 149 SP - 929 PB - Elsevier CY - Amsterdam AN - OPUS4-44038 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scholz, A. A1 - Nazmy, M. A1 - Fedelich, Bernard A1 - Tinga, T. A1 - Huls, R. T1 - Modelling of microstructure and mechanical property changes in gas turbine alloys T2 - 9th Liège conference: Materials for advanced power engineering 2010 CY - Liège, Belgium DA - 2010-09-27 KW - Nickel base superalloys KW - Degradation KW - Modelling KW - Microstructure KW - Mechanical properties PY - 2010 SP - 567 EP - 587 AN - OPUS4-22261 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scholz, A. T1 - Modelling of microstructural and mechanical property changes in gas turbine alloys T2 - 9th Liege Conference on Materials for Advanced Power Engineering CY - Liège, Belgium DA - 2010-09-27 PY - 2010 AN - OPUS4-22226 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Loges, A. A1 - Scholz, G. A1 - de Sousa Amadeu, Nader A1 - Jingjing, S. A1 - Emmerling, Franziska A1 - John, T. A1 - Paulus, B. A1 - Braun, T. T1 - Studies on the local structure of the F/OH site in topaz by magic angle spinning nuclear magnetic resonance and Raman spectroscopy N2 - he mutual influence of F and OH groups in neighboring sites in topaz (Al2SiO4(F,OH)2) was investigated using magic angle spinning nuclear magnetic resonance (MAS NMR) and Raman spectroscopy. The splitting of 19F and 1H NMR signals, as well as the OH Raman band, provides evidence for hydrogen bond formation within the crystal structure. Depending on whether a given OH group has another OH group or fluoride as its neighbor, two different hydrogen bond constellations may form: either OH···O···HO or F···H···O. The proton accepting oxygen was determined to be part of the SiO4 tetrahedron using 29Si MAS NMR. Comparison of the MAS NMR data between an OH-bearing and an OH-free topaz sample confirms that the 19F signal at −130 ppm stems from F− ions that take part in H···F bonds with a distance of ∼ 2.4 Å, whereas the main signal at −135 ppm belongs to fluoride ions with no immediate OH group neighbors. The Raman OH sub-band at 3644 cm−1 stems from OH groups neighboring other OH groups, whereas the sub-band at 3650 cm−1 stems from OH groups with fluoride neighbors, which are affected by H···F bridging. The integrated intensities of these two sub-bands do not conform to the expected ratios based on probabilistic calculations from the total OH concentration. This can be explained by a difference in the polarizability of the OH bond between the different hydrogen bond constellations or partial order or unmixing of F and OH, or a combination of both. This has implications for the quantitative interpretation of Raman data on OH bonds in general and their potential use as a probe for structural (dis-)order. No indication of tetrahedrally coordinated Al was found with 27Al MAS NMR, suggesting that the investigated samples likely have nearly ideal Al/Si ratios, making them potentially useful as high-density electron microprobe reference materials for Al and Si, as well as for F. KW - Topas KW - NMR KW - XRD PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-561863 DO - https://doi.org/10.5194/ejm-34-507-2022 SN - 1617-4011 VL - 34 IS - 5 SP - 507 EP - 521 PB - Copernicus Publications CY - Göttingen AN - OPUS4-56186 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -