TY - JOUR A1 - Schmidt, C. A1 - Hensen, C. A1 - Wallmann, K. A1 - Liebetrau, V. A1 - Tatzel, Michael A1 - Schurr, S. L. A1 - Kutterolf, S. A1 - Haffert, L. A1 - Geilert, Sonja A1 - Hübscher, C. A1 - Lebas, E. A1 - Heuser, A. A1 - Schmidt, M. A1 - Strauss, H. A1 - Vogl, Jochen A1 - Hansteen, T. T1 - Origin of High Mg and SO4 Fluids in Sediments of the Terceira Rift, Azores‐Indications for Caminite Dissolution in a Waning Hydrothermal System N2 - During R/V Meteor cruise 141/1, pore fluids of near surface sediments were investigated to find indications for hydrothermal activity in the Terceira Rift (TR), a hyperslow spreading center in the Central North Atlantic Ocean. To date, submarine hydrothermal fluid venting in the TR has only been reported for the D. João de Castro seamount, which presently seems to be inactive. Pore fluids sampled close to a volcanic cone at 2,800‐m water depth show an anomalous composition with Mg, SO4, and total alkalinity concentrations significantly higher than seawater and a nearby reference core. The most straightforward way of interpreting these deviations is the dissolution of the hydrothermally formed mineral caminite (MgSO4 0.25 Mg (OH)2 0.2H2O). This interpretation is corroborated by a thorough investigation of fluid isotope systems (δ26Mg, δ30Si, δ34S, δ44/42Ca, and 87Sr/86Sr). Caminite is known from mineral assemblages with anhydrite and forms in hydrothermal recharge zones only under specific conditions such as high fluid temperatures and in altered oceanic crust, which are conditions generally met at the TR. We hypothesize that caminite was formed during hydrothermal activity and is now dissolving during the waning state of the hydrothermal system, so that caminite mineralization is shifted out of its stability zone. Ongoing fluid circulation through the basement is transporting the geochemical signal via slow advection toward the seafloor. KW - Isotope ratio KW - Delta value KW - Pore fluids KW - Magnesium KW - Hydrothermal fluid PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-503430 DO - https://doi.org/10.1029/2019GC008525 VL - 20 IS - 12 SP - 6078 EP - 6094 PB - Wiley AN - OPUS4-50343 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lu, Z. C. A1 - Haist, M. A1 - Ivanov, D. A1 - Jakob, C. A1 - Jansen, D. A1 - Schmid, M. A1 - Kißling, P. A. A1 - Leinitz, Sarah A1 - Link, J. A1 - Mechtcherine, V. A1 - Neubauer, J. A1 - Plank, J. A1 - Schmidt, Wolfram A1 - Schilde, C. A1 - Schröfl, C. A1 - Sowoidnich, T. A1 - Stephan, D. T1 - Characterization data of reference cement CEM III/A 42.5N used for priority program DFG SPP 2005 "Opus Fluidum Futurum - Rheology of reactive, multiscale, multiphase construction materials" N2 - Two types of cements were selected as the reference cement in the priority program 2005 of the German Research Foundation (DFG SPP 2005). A thorough characterization of CEM I 42.5 R has been made in a recent publication. In this paper, the characterization data of the other reference cement CEM III/A 42.5 N are presented from the aspects of chemical and mineralogical compositions as well as physical and chemical properties. The characterization data of the slag, which is the second main constituent of this specific cement besides the clinker, are presented independently. For all data received, the mean values and the corresponding errors were calculated. The data shall be used for the ongoing research within the priority program. Also, researchers from outside this priority program can benefit from these data if the same materials are used. KW - Cement KW - Slag KW - Characterization KW - DFG SPP 2005 PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-568980 DO - https://doi.org/10.1016/j.dib.2020.105524 SN - 2352-3409 VL - 30 SP - 1 EP - 14 PB - Elsevier CY - Amsterdam AN - OPUS4-56898 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoyer, C. A1 - Pfütze, C. A1 - Plarre, Rüdiger A1 - Trommler, U. A1 - Steinbach, S. A1 - Klutzny, Kerstin A1 - Holzer, F. A1 - Rabe, C. A1 - Höhlig, B. A1 - Schmidt, S. A1 - Roland, U. T1 - Chemical-free pest control by dielectric heating with radio waves and microwaves: Thermal effects N2 - Thermal pest control with hot air is widely accepted as an alternative to chemical methods. However, it requires relatively long treatment times owing to the low thermal conductivity of wood. Direct dielectric heating that applies radio waves or microwaves has the advantage of more homogeneous heating. However, Sound experimental data on this technique are currently rare. Therefore, the thermal treatment of wood-destroying insects with radio waves and microwaves was studied with two model pests, Anobium punctatum and Hylotrupes bajulus, and with Tenebrio molitor as a reference. The secure elimination of pests was achieved, and the corresponding treatment time was in the range of a few minutes. Temperature profiles were more homogeneous when applying radio waves. KW - Dielectric heating KW - Microwaves KW - Pest control KW - Radio waves KW - Wood protection PY - 2018 DO - https://doi.org/10.1002/ceat.201600712 SN - 1521-4125 SN - 0930-7516 VL - 41 IS - 1 SP - 108 EP - 115 PB - Wiley-VCH CY - Weinheim AN - OPUS4-43527 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoyer, C. A1 - Pfütze, C. A1 - Plarre, Rüdiger A1 - Trommler, U. A1 - Steinbach, S. A1 - Klutzny, Kerstin A1 - Holzer, F. A1 - Rabe, C. A1 - Höhlig, B. A1 - Kopinke, F.-D. A1 - Schmidt, D. A1 - Roland, U. T1 - Chemikalienfreie Bekämpfung von Holzschädlingen durch dielektrische Erwärmung mit Radiowellen und Mikrowellen N2 - Die thermische Bekämpfung von Holzschädlingen erfordert wegen der geringen Wärmeleitfähigkeit von Holz lange Behandlungszeiten und kann zur Rissbildung führen. Hier wurde die thermische Behandlung mittels Radio- und Mikrowellen untersucht. Die direkte, dielektrische Erwärmung hat den Vorteil einer größeren Homogenität der Aufheizung. Die mit Radiowellen erzielten Temperaturprofile waren homogener als die mit Mikrowellen realisierten. Untersuchungen zeigten, dass die Abtötung nicht auf die direkte Einwirkung von elektromagnetischen Feldern, sondern auf die Temperaturerhöhung zurückzuführen ist. N2 - Thermal pest control requires long treatment times due to the low thermal conductivity of wood and may lead to the formation of cracks. Here, the thermal treatment with radio waves as well as microwaves has been studied. The direct dielectric heating has the advantage of a good homogeneity. The obtained temperature profiles for radio waves were more homogeneous compared to microwaves. Detailed studies showed that elimination of pests was not related to the application of the electromagnetic field itself, but due to the temperature increase. KW - Dielektrische Erwärmung KW - Holzschutz KW - Mikrowellen KW - Radiowellen KW - Bekämpfung KW - Insekten KW - Dielectric heating KW - Microwaves KW - Pest control KW - Radio waves PY - 2014 DO - https://doi.org/10.1002/cite.201300091 SN - 0009-286X SN - 1522-2640 VL - 86 IS - 8 SP - 1187 EP - 1197 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-31301 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Roland, U. A1 - Trommler, U. A1 - Hoyer, C. A1 - Pfütze, C. A1 - Plarre, Rüdiger A1 - Rabe, C. A1 - Höhlig, B. A1 - Holzer, F. A1 - Kraus, M. A1 - Schmidt, D. A1 - Kopinke, F.-D. T1 - Radio-frequency heating for pest control, decontamination and drying of timber and masonry N2 - A number of very relevant processes for protection and reconstruction of buildings can be supported by controlled heating: elimination of pests without using hazardous Chemicals, drying and decontamination of timber and many other building materials. For this purpose, radio-frequency (RF) dielectric heating is an advantageous Option because the materials and structures can be heated directly by energy absorption in the volume, homogeneously and, if required, relatively fast. Compared to microwaves, the penetration depths are usually much larger and the flexibility with respect to different materials is wider. Namely, heating can also be realized for dry materials because the dielectric loss is as not closely related to the presence of water as for microwave applications. T2 - 14th International conference on microwave and high frequency heating CY - Nottingham, UK DA - 16.09.2013 KW - Radio-frequency heating KW - Drying KW - Decontamination KW - Pest control KW - Timber KW - Masonry PY - 2013 SN - 978-0-85358-293-9 SP - 112 EP - 115 AN - OPUS4-29269 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lu, Z. A1 - Haist, M. A1 - Ivanov, D. A1 - Jakob, C. A1 - Jansen, D. A1 - Leinitz, Sarah A1 - Link, J. A1 - Mechtcherine, V. A1 - Neubauer, J. A1 - Plank, J. A1 - Schmidt, Wolfram A1 - Schilde, C. A1 - Schröfl, C. A1 - Sowoidnich, T. A1 - Stephan, D. T1 - Characterization data of reference cement CEM I 42.5 R used for Priority Program DFG SPP 2005 “Opus Fluidum Futurum - Rheology of reactive, multiscale, multiphase construction materials” N2 - A thorough characterization of starting materials is the precondition for further research, especially for cement, which contains various phases and presents quite a complex material for fundamental scientific investigation. In the paper at hand, the characterization data of the reference cement CEM I 42.5 R used within the priority program 2005 of the German Research Foundation (DFG SPP 2005) are presented from the aspects of chemical and mineralogical compositions as well as physical and chemical properties. The data were collected based on tests conducted by nine research groups involved in this cooperative program. For all data received, the mean values and the corresponding errors were calculated. The results shall be used for the ongoing research within the priority program. KW - Portland cement KW - Characterization KW - DFG SPP 2005 PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-500849 DO - https://doi.org/10.1016/j.dib.2019.104699 SN - 2352-3409 VL - 27 SP - 104699 PB - Elsevier Inc. AN - OPUS4-50084 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pott, U. A1 - Crasselt, Claudia A1 - Fobbe, N. A1 - Haist, M. A1 - Heinemann, M. A1 - Hellmann, S. A1 - Ivanov, D. A1 - Jakob, C. A1 - Jansen, D. A1 - Lei, L. A1 - Li, R. A1 - Link, J. A1 - Lowke, D. A1 - Mechtcherine, V. A1 - Neubauer, J. A1 - Nicia, D. A1 - Plank, J. A1 - Reißig, S. A1 - Schäfer, T. A1 - Schilde, C. A1 - Schmidt, Wolfram A1 - Schröfl, C. A1 - Sowoidnich, T. A1 - Strybny, B. A1 - Ukrainczyk, N. A1 - Wolf, J. A1 - Xiao, P. A1 - Stephan, D. T1 - Characterization data of reference materials used for phase II of the priority program DFG SPP 2005 “Opus Fluidum Futurum –Rheology of reactive, multiscale, multiphase construction materials” N2 - A thorough characterization of base materials is the prereq- uisite for further research. In this paper, the characterization data of the reference materials (CEM I 42.5 R, limestone pow- der, calcined clay and a mixture of these three components) used in the second funding phase of the priority program 2005 of the German Research Foundation (DFG SPP 2005) are presented under the aspects of chemical and min- eralogical composition as well as physical and chemical properties. The data were collected based on tests performed by up to eleven research groups involved in this cooperative program. KW - Portland cement KW - Limestone powder KW - Calcined clay KW - Sustainable cement KW - DFG SPP 2005 PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-569913 DO - https://doi.org/10.1016/j.dib.2023.108902 VL - 47 SP - 1 EP - 19 PB - Elsevier AN - OPUS4-56991 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Haist, M. A1 - Link, J. A1 - Nicia, D. A1 - Leinitz, Sarah A1 - Baumert, C. A1 - von Bronk, T. A1 - Cotardo, D. A1 - Eslami Pirharati, M. A1 - Fataei, S. A1 - Garrecht, H. A1 - Gehlen, C. A1 - Hauschildt, I. A1 - Ivanova, I. A1 - Jesinghausen, S. A1 - Klein, C. A1 - Krauss, H.-W. A1 - Lohaus, L. A1 - Lowke, D. A1 - Mazanec, O. A1 - Pawelczyk, S. A1 - Pott, U. A1 - Radebe, N. W. A1 - Riedmiller, J. J. A1 - Schmid, H.-J. A1 - Schmidt, Wolfram A1 - Secrieru, E. A1 - Stephan, D. A1 - Thiedeitz, M. A1 - Wilhelm, M. A1 - Mechtcherine, V. T1 - Interlaboratory study on rheological properties of cement pastes and reference substances: comparability of measurements performed with different rheometers and measurement geometries N2 - This paper presents the results of an interlaboratory study of the rheological properties of cement paste and ultrasound gel as reference substance. The goal was to quantify the comparability and reproducibility of measurements of the Bingham parameters yield stress and plastic viscosity when measured on one specific paste composition and one particular ultrasound gel in different laboratories using different rheometers and measurement geometries. The procedures for both in preparing the cement paste and carrying out the rheological measurements on cement paste and ultrasound gel were carefully defined for all of the study’s participants. Different conversion schemes for comparing the results obtained with the different measurement setups are presented here and critically discussed. The procedure proposed in this paper ensured a reasonable comparability of the results with a coefficient of variation for the yield stress of 27% and for the plastic viscosity of 24%, despite the individual measurement series’ having been performed in different labs with different rheometers and measurement geometries. KW - Rheometry KW - Rheology KW - Interlaboratory test KW - Test setup KW - Testing procedure KW - Cement paste KW - Ultrasound gel PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-511220 DO - https://doi.org/10.1617/s11527-020-01477-w SN - 1871-6873 VL - 53 IS - 4 SP - 92 PB - Rilem AN - OPUS4-51122 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ganose, Alex M. A1 - Sahasrabuddhe, Hrushikesh A1 - Asta, Mark A1 - Beck, Kevin A1 - Biswas, Tathagata A1 - Bonkowski, Alexander A1 - Bustamante, Joana A1 - Chen, Xin A1 - Chiang, Yuan A1 - Chrzan, Daryl C. A1 - Clary, Jacob A1 - Cohen, Orion A. A1 - Ertural, Christina A1 - Gallant, Max C. A1 - George, Janine A1 - Gerits, Sophie A1 - Goodall, Rhys E. A. A1 - Guha, Rishabh D. A1 - Hautier, Geoffroy A1 - Horton, Matthew A1 - Inizan, T. J. A1 - Kaplan, Aaron D. A1 - Kingsbury, Ryan S. A1 - Kuner, Matthew C. A1 - Li, Bryant A1 - Linn, Xavier A1 - McDermott, Matthew J. A1 - Mohanakrishnan, Rohith Srinivaas A1 - Naik, Aakash A. A1 - Neaton, Jeffrey B. A1 - Parmar, Shehan M. A1 - Persson, Kristin A. A1 - Petretto, Guido A1 - Purcell, Thomas A. R. A1 - Ricci, Francesco A1 - Rich, Benjamin A1 - Riebesell, Janosh A1 - Rignanese, Gian-Marco A1 - Rosen, Andrew S. A1 - Scheffler, Matthias A1 - Schmidt, Jonathan A1 - Shen, Jimmy-Xuan A1 - Sobolev, Andrei A1 - Sundararaman, Ravishankar A1 - Tezak, Cooper A1 - Trinquet, Victor A1 - Varley, Joel B. A1 - Vigil-Fowler, Derek A1 - Wang, Duo A1 - Waroquiers, David A1 - Wen, Mingjian A1 - Yang, Han A1 - Zheng, Hui A1 - Zheng, Jiongzhi A1 - Zhu, Zhuoying A1 - Jain, Anubhav T1 - Atomate2: Modular workflows for materials science N2 - High-throughput density functional theory (DFT) calculations have become a vital element of computational materials science, enabling materials screening, property database generation, and training of “universal” machine learning models. While several software frameworks have emerged to support these computational efforts, new developments such as machine learned force fields have increased demands for more flexible and programmable workflow solutions. This manuscript introduces atomate2, a comprehensive evolution of our original atomate framework, designed to address existing limitations in computational materials research infrastructure. Key features include the support for multiple electronic structure packages and interoperability between them, along with generalizable workflows that can be written in an abstract form irrespective of the DFT package or machine learning force field used within them. Our hope is that atomate2's improved usability and extensibility can reduce technical barriers for high-throughput research workflows and facilitate the rapid adoption of emerging methods in computational material science. KW - Automation KW - Materials design KW - DFT workflows KW - Phonons KW - Thermal conductivity KW - Bonding analysis PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-635759 DO - https://doi.org/10.1039/d5dd00019j SN - 2635-098X SP - 1 EP - 30 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-63575 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Poyraz, Ö. A1 - Schmidt, H. A1 - Seidel, K. A1 - Delißen, Friedmar A1 - Ader, C. A1 - Tenenboim, H. A1 - Goosmann, C. A1 - Laube, B. A1 - Thünemann, Andreas A1 - Zychlinsky, A. A1 - Baldus, M. A1 - Lange, A. A1 - Griesinger, C. A1 - Kolbe, M. T1 - Protein refolding is required for assembly of the type three secretion needle N2 - Pathogenic Gram-negative bacteria use a type three secretion system (TTSS) to deliver virulence factors into host cells. Although the order in which proteins incorporate into the growing TTSS is well described, the underlying assembly mechanisms are still unclear. Here we show that the TTSS needle protomer refolds spontaneously to extend the needle from the distal end. We developed a functional mutant of the needle protomer from Shigella flexneri and Salmonella typhimurium to study its assembly in vitro. We show that the protomer partially refolds from α-helix into β-strand conformation to form the TTSS needle. Reconstitution experiments show that needle growth does not require ATP. Thus, like the structurally related flagellar systems, the needle elongates by subunit polymerization at the distal end but requires protomer refolding. Our studies provide a starting point to understand the molecular assembly mechanisms and the structure of the TTSS at atomic level. PY - 2010 DO - https://doi.org/10.1038/nsmb.1822 SN - 1545-9993 SN - 1545-9985 VL - 17 SP - 788 EP - 792 PB - Nature Publ. Comp. CY - New York, NY, USA AN - OPUS4-21726 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -