TY - JOUR A1 - Jablonka, Kevin Maik A1 - Ai, Qianxiang A1 - Al-Feghali, Alexander A1 - Badhwar, Shruti A1 - Bocarsly, Joshua D. A1 - Bran, Andres M. A1 - Bringuier, Stefan A1 - Brinson, L. Catherine A1 - Choudhary, Kamal A1 - Circi, Defne A1 - Cox, Sam A1 - de Jong, Wibe A. A1 - Evans, Matthew L. A1 - Gastellu, Nicolas A1 - Genzling, Jerome A1 - Gil, María Victoria A1 - Gupta, Ankur K. A1 - Hong, Zhi A1 - Imran, Alishba A1 - Kruschwitz, Sabine A1 - Labarre, Anne A1 - Lála, Jakub A1 - Liu, Tao A1 - Ma, Steven A1 - Majumdar, Sauradeep A1 - Merz, Garrett W. A1 - Moitessier, Nicolas A1 - Moubarak, Elias A1 - Mouriño, Beatriz A1 - Pelkie, Brenden A1 - Pieler, Michael A1 - Ramos, Mayk Caldas A1 - Ranković, Bojana A1 - Rodriques, Samuel G. A1 - Sanders, Jacob N. A1 - Schwaller, Philippe A1 - Schwarting, Marcus A1 - Shi, Jiale A1 - Smit, Berend A1 - Smith, Ben E. A1 - Van Herck, Joren A1 - Völker, Christoph A1 - Ward, Logan A1 - Warren, Sean A1 - Weiser, Benjamin A1 - Zhang, Sylvester A1 - Zhang, Xiaoqi A1 - Zia, Ghezal Ahmad Jan A1 - Scourtas, Aristana A1 - Schmidt, K. J. A1 - Foster, Ian A1 - White, Andrew D. A1 - Blaiszik, Ben T1 - 14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon N2 - Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines. KW - Large Language model KW - Hackathon KW - Concrete KW - Prediction KW - Inverse Design KW - Orchestration PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589961 DO - https://doi.org/10.1039/d3dd00113j VL - 2 IS - 5 SP - 1233 EP - 1250 PB - Royal Society of Chemistry (RSC) AN - OPUS4-58996 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Galleani, Gustavo A1 - Lodi, Thiago A. A1 - Conner, Robin L. A1 - Jacobsohn, Luiz G. A1 - de Camargo, Andrea Simone Stucchi T1 - Photoluminescence and X-ray induced scintillation in Gd3+-Tb3+ co-doped fluoride-phosphate glasses, and derived glass-ceramics containing NaGdF4 nanocrystals N2 - The glass system (50NaPO3–20BaF2–10CaF2–20GdF3)-xTbCl3 with x = 0.3, 1, 3, 5, and 10 wt % was investigated. We successfully produced transparent glass ceramic (GC) scintillators with x = 1 through a melt-quenching process followed by thermal treatment. The luminescence and crystallization characteristics of these materials were thoroughly examined using various analytical methods. The nanocrystallization of Tb3+-doped Na5Gd9F32 within the doped fluoride-phosphate glasses resulted in enhanced photoluminescence (PL) and radioluminescence (RL) of the Tb3+ ions. The GC exhibited an internal PL quantum yield of 33 % and the integrated RL intensity across the UV-visible range was 36 % of that reported for the commercial BGO powder scintillator. This research showcases that Tb-doped fluoridephosphate GCs containing nanocrystalline Na5Gd9F32 have the potential to serve as efficient scintillators while having lower melting temperature compared to traditional silicate and germanate glasses. KW - Glass scintillator KW - Fluoride phosphate glasses KW - Gd3+ KW - Tb3+ PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603588 DO - https://doi.org/10.1016/j.omx.2023.100288 VL - 21 SP - 1 EP - 9 PB - Elsevier B.V. AN - OPUS4-60358 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Habig, Karl-Heinz A1 - Broszeit, E. A1 - de Gee, A. W. J. T1 - friction and wear tests on metallic bearing materials for oil-lubricated bearings PY - 1981 SN - 0043-1648 VL - 69 SP - 43 EP - 54 PB - Elsevier CY - Amsterdam AN - OPUS4-32270 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Westwood, S. A1 - Josephs, R. A1 - Daireaux, A. A1 - Wielgosz, R. A1 - Davies, S. A1 - Kang, M. A1 - Ting, H. A1 - Philipp, Rosemarie A1 - Malz, Frank A1 - Shimizu, Y. A1 - Frias, E. A1 - Pérez, M. A1 - Apps, P. A1 - Fernandes-Whaley, M. A1 - De Vos, B. A1 - Wiagnon, K. A1 - Ruangrittinon, N. A1 - Wood, S. A1 - Duewer, D.L. A1 - Schantz, M.M. A1 - Bedner, M. A1 - Hancock, D. A1 - Esker, J. T1 - An international comparison of mass fraction purity assignment of theophylline: CCQM pilot study CCQM-P20.e (Theophylline) PY - 2009 DO - https://doi.org/10.1088/0026-1394/46/1A/08019 SN - 0026-1394 SN - 1681-7575 VL - 46 IS - 08019 SP - 1 EP - 37 PB - Inst. of Physics Publ. CY - Bristol AN - OPUS4-20030 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Narbonneau, F. A1 - De Jonckheere, J. A1 - Jeanne, M. A1 - Kinet, D. A1 - Witt, Jens A1 - Krebber, Katerina A1 - Paquet, B. A1 - Depré, A. A1 - D´Angelo, L.T. A1 - Thiel, T. A1 - Logier, R. ED - Popp, J. T1 - OFSETH: Optical technologies embedded in smart medical textile for continuous monitoring of respiratory motions under magnetic resonance imaging N2 - The potential impact of optical fiber sensors embedded into medical textiles for the continuous monitoring of the patient during Magnetic Resonance Imaging (MRI) is now proved. We report how two pure optical technologies can successfully sense textile elongation between, 0% and 3%, while maintaining the stretching properties of the textile substrates for a good comfort of the patient. Investigating influence of different patients' morphology as well as textile integration issues to let free all vitals organs for medical staff actions, the OFSETH harness allows a continuous measurement of respiration movements. For example, anaesthesia for MRI examination uses the same drugs as for any surgical procedure. Even if spontaneous respiration can be preserved most of the time, spontaneous respiration is constantly at risk of being impaired by anaesthetic drugs or by upper airway obstruction. Monitoring of the breathing activity is needed to assess adequate ventilation or to detect specific obstruction patterns. Moreover artefacts due to physiological motions induce a blooming effect on the MRI result. The use of synchronisation devices allows reducing these effects. Positioned at certain strategic places according to the investigated organ, the presented sensors could constitute an efficient and adapted solution for respiratory synchronisation of the MRI acquisition. KW - MRI KW - Smart textile KW - Healthcare monitoring KW - Optical sensor KW - FBG KW - Respiratory sensor PY - 2010 SN - 9780819481887 DO - https://doi.org/10.1117/12.854386 VL - 7715 SP - 77151D-1 - 77151D-12 AN - OPUS4-22839 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ridsdale, P. A1 - Cali, J. A1 - Cox, J. A1 - de Bievre, P. A1 - van der Eijk, W. A1 - Marshal, A. A1 - Wandelburg, Klaus T1 - Panel on General Principles of the Certification Procedure for RM's T2 - International Symposium on the Production and Use of Reference Materials CY - Berlin, BAM DA - 1979-11-13 PY - 1980 SP - 443 EP - 459 PB - BAM CY - Berlin AN - OPUS4-9273 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - De Araújo, A. A1 - Panossian, Z. A1 - Portella, Pedro Dolabella A1 - Bäßler, Ralph T1 - Monitoramento da corrosao em estruturas de concreto: sensor galvânico N2 - O monitoramento das estruturas de concreto possibilita que o risco de corrosão seja estimado ao longo dos anos de sua utilização. Com o conhecimento desse risco, intervenções de prevenção da corrosão ou de controle da corrosão já estabelecida podem ser programadas e realizadas em períodos adequados. Na prática, o risco de corrosão é avaliado por meio da verificação periódica do estado da armadura e das alterações nas propriedades do concreto. Isso pode ser feito por meio do embutimento no concreto de cobrimento de sensores de aquisição contínua de dados. Há diferentes tipos de sensores de aquisição contínua de dados. Um dos mais conhecidos é o sensor galvânico que consta de um conjunto de barras de aço-carbono, eletricamente isoladas. Com o embutimento do sensor, essas barras ficam posicionadas em diferentes e conhecidas profundidades do concreto de cobrimento da armadura. O risco de corrosão da armadura é monitorado com a periódica medição da corrente galvânica em cada uma das barras do sensor. Essa medição, dentre outras informações do sensor galvânico foram abordadas em artigo anterior. Além do sensor galvânico, destacam-se o sensor de umidade e o de taxa de corrosão, que monitoram parâmetros importantes relacionados ao estabelecimento e evolução de processo corrosivo das armaduras. A seguir esses sensores são apresentados, bem como o sensor de fibra óptica, o qual apresenta algumas vantagens em relação aos demais mencionados, embora ainda seja de uso restrito. KW - Sensor da corrosao PY - 2013 SN - 0104-1053 VL - 194 IS - Maio SP - 62 EP - 66 PB - PINI AN - OPUS4-29403 LA - por AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kelm, Jürgen A1 - Kühn, H. A1 - Klein, M. A1 - Wiesmath, A. A1 - Demco, D.E. A1 - Blümich, B. A1 - Gold, P.W. T1 - The NMR-MOUSE: quality control of elastomers KW - NMR-MOUSE KW - Double-quantum NMR KW - Quality control KW - Elastomers PY - 2001 SN - 1090-7807 SN - 0022-2364 VL - 19 SP - 497 EP - 499 PB - Elsevier CY - San Diego, Calif. AN - OPUS4-1034 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Reuter, T. A1 - Borges de Oliveira, F. A1 - Abt, Ch. A1 - Ballach, F. A1 - Bartscher, M. A1 - Bellon, Carsten A1 - Dennerlein, F. A1 - Fuchs, P. A1 - Günnewig, O. A1 - Hausotte, T. A1 - Hess, J. A1 - Kasperl, S. A1 - Maass, N. A1 - Kimmig, W. A1 - Schielein, R. A1 - von Schmid, M. A1 - Suppes, A. A1 - Wagner, G. A1 - Watzl, Ch. A1 - Wohlgemuth, F. T1 - Introduction to “Realistic Simulation of real CT systems with a basic-qualified Simulation Software - CTSimU2“ N2 - The lack of traceability to meter of X-ray Computed Tomography (CT) measurements still hinders a more extensive acceptance of CT in coordinate metrology and industry. To ensure traceable, reliable, and accurate measurements, the determination of the task-specific measurement uncertainty is necessary. The German guideline VDI/VDE 2630 part 2.1 describes a procedure to determine the measurement uncertainty for CT experimentally by conducting several repeated measurements with a calibrated test specimen. However, this experimental procedure is cost and effort intensive. Therefore, the simulation of dimensional measurement tasks conducted with X-ray computed tomography can close these drawbacks. Additionally, recent developments towards a resource and cost-efficient production (“smart factory”) motivate the need for a corresponding numerical model of a CT system (“digital twin”) as well. As there is no standardized procedure to determine the measurement uncertainty of a CT system by simulation at the moment, the project series CTSimU was initiated, aiming at this gap. Concretely, the goal is the development of a procedure to determine the measurement uncertainty numerically by radiographic simulation. The first project (2019-2022), "Radiographic Computed Tomography Simulation for Measurement Uncertainty Evaluation - CTSimU" developed a framework to qualify a radiographic simulation software concerning the correct simulation of physical laws and functionalities. The most important outcome was a draft for a new guideline VDI/VDE 2630 part 2.2, which is currently under discussion in the VDI/VDE committee. The follow-up project CTSimU2 "Realistic Simulation of real CT systems with a basic-qualified Simulation Software" will deal with building and characterizing a digital replica of a specific real-world CT system. The two main targets of this project will be a toolbox including methods and procedures to configure a realistic CT system simulation and to develop tests to check if this replica is sufficient enough. The result will be a draft for a follow-up VDI/VDE guideline proposing standardized procedures to determine a CT system's corresponding characteristics and test the simulation (copy) of a real-world CT system which we call a "digital twin". T2 - 12th Conference on Industrial Computed Tomography (iCT) 2023 CY - Fürth, Germany DA - 27.02.2023 KW - dXCT KW - X-ray computed tomography KW - Simulation PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589204 DO - https://doi.org/10.58286/27715 VL - 28 IS - 3 SP - 1 EP - 5 PB - NDT.net AN - OPUS4-58920 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed A. A1 - Böhning, Martin A1 - De Souza, N. R. A1 - Juranyi, F. A1 - Zorn, R. A1 - Schönhals, Andreas T1 - Inelastic and Quasielastic Neutron Scattering on Polynorbornenes with Bulky Carbocyclic Side groups N2 - This study investigates the molecular mobility and vibrational properties of polynorbornenes with bulky carbocyclic side groups using inelastic and quasielastic neutron scattering techniques. The polymers, synthesized via metathesis and addition polymerization, exhibit varying degrees of microporosity, which ignificantly influences their gas separation performance. By inelastic neutron scattering experiments, it could be shown that all considered polymers have excess contributions to the low frequency vibrational density of states known as the Boson peak. The maximum frequency of the Boson peak correlates to the microporosity of the polymers. This correlation supports the sound wave interpretation of the Boson peak, suggesting that the microporous structure enhances the compressibility of the material at a microscopic length scale. The molecular mobility, particularly the methyl group rotation, was characterized using elastic scans and quasielastic neutron scattering. The study revealed a temperature dependent relaxation process, with the onset of molecular fluctuations observed around 200 K for the polymer containing methyl groups. For the polymer having no methyl groups only elastic scattering is observed. The methyl group rotation was analyzed in terms of a jump diffusion in a threefold potential with three equivalent energy minima. This leads to an almost correct description of the q dependence of the elastic incoherent scattering function when the number of hydrogen nuclei undergoing the methyl group rotation is considered. It was further evidenced that the fraction of methyl undergoing the methyl group rotation increases with increasing temperature. KW - Polymers of Intrinsic Microporosity KW - Neutron scattering PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630297 DO - https://doi.org/10.1016/j.polymer.2025.128358 SN - 1873-2291 VL - 328 SP - 241 PB - Elsevier Ltd. AN - OPUS4-63029 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - de Krom, I. A1 - Heikens, D. A1 - Horn, Wolfgang A1 - Wilke, Olaf A1 - Richter, Matthias A1 - Baldan, A. T1 - Metrological generation of SI-traceable gas-phase standards and reference materials for (semi-) volatile organic compounds N2 - EN 16516 sets specifications for the determination of emissions into indoor air from construction products. Reliable, accurate and International System of Unit (SI)-traceable measurement results of the emissions are the key to consumer protection. Such measurement results can be obtained by using metrologically traceable reference materials. Gas-phase standards of volatile organic compounds (VOCs) in air can be prepared by a variety of dynamic methods according to the ISO 6145 series. However, these methods are not always applicable for semi-VOCs (SVOCs) due to their high boiling point and low vapour pressure. Therefore, a novel dynamic gas mixture generation system has been developed. With this system gas-phase standards with trace level VOCs and SVOCs in air can be prepared between 10 nmol mol−1 and 1000 nmol mol−1. The VOCs and SVOCs in this study have normal boiling points ranging from 146 °C to 343 °C. Metrologically traceable reference materials of the gas-phase standard were obtained by sampling of the VOC gas-phase standard into Tenax TA® sorbent material in SilcoNert® coated stainless steel tubes. Accurately known masses between 10 ng and 1000 ng per VOC were sampled. These reference materials were used to validate the dynamic system. Furthermore, the storage and stability periods of the VOCs in the reference materials were determined as these are crucial characteristics to obtain accurate and SI-traceable reference materials. In a round robin test (RRT), the reference materials were used with the aim of demonstrating the feasibility of providing SI-traceable standard reference values for SVOCs for interlaboratory comparison purposes. Based on the results from the validation, the storage and stability studies and the RRT, gas-phase standards and reference materials of VOCs and SVOCs with relative expanded uncertainties between 5% and 12% (k = 2) have been developed. These reference standards can be used as calibrants, reference materials or quality control materials for the analysis of VOC emissions. KW - SVOC KW - Dynamic calibration gas mixtures KW - Reference materials KW - Indoor air KW - Thermal desorption PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-565978 DO - https://doi.org/10.1088/1361-6501/aca704 VL - 34 IS - 3 SP - 1 EP - 13 PB - IOP Publishing AN - OPUS4-56597 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -