TY - JOUR A1 - Bachmann, H. J. A1 - Bucheli, T. D. A1 - Dieguez-Alonso, A. A1 - Fabbri, D. A1 - Knicker, H. A1 - Schmidt, H.-P. A1 - Ulbricht, A. A1 - Becker, Roland A1 - Buscaroli, A. A1 - Buerge, D. A1 - Cross, A. A1 - Dickinson, D. A1 - Enders, A. A1 - Esteves, V.I. A1 - Evangelou, M. W. H. A1 - Fellet, G. A1 - Friedrich, K. A1 - Gasco Guerrero, G. A1 - Glaser, B. A1 - Hanke, U. M. A1 - Hanley, K. A1 - Hilber, I. A1 - Kalderis, D. A1 - Leifeld, J. A1 - Masek, O. A1 - Mumme, J. A1 - Paneque Carmona, M. A1 - Calvelo Pereira, R. A1 - Rees, F. A1 - Rombola, A. G. A1 - de la Rosa, J. M. A1 - Sakrabani, R. A1 - Sohi, S. A1 - Soja, G. A1 - Valagussa, M. A1 - Verheijen, F. A1 - Zehetner, F. T1 - Towards the standardization of biochar analysis: the COST action TD1107 interlaboratory comparison N2 - Biochar produced by pyrolysis of organic residues is increasingly used for soil amendment and many other applications. However, analytical methods for its physical and chemical characterization are yet far from being specifically adapted, optimized, and standardized. Therefore, COST Action TD1107 conducted an interlaboratory comparison in which 22 laboratories from 12 countries analyzed three different types of biochar for 38 physical–chemical parameters (macro- and microelements, heavy metals, polycyclic aromatic hydrocarbons, pH, electrical conductivity, and specific surface area) with their preferential methods. The data were evaluated in detail using professional interlaboratory testing software. Whereas intralaboratory repeatability was generally good or at least acceptable, interlaboratory reproducibility was mostly not (20% < mean reproducibility standard deviation < 460%). This paper contributes to better comparability of biochar data published already and provides recommendations to improve and harmonize specific methods for biochar analysis in the future. KW - Biochar KW - Analysis KW - Standardization KW - Ring test KW - Interlaboratory comparison PY - 2016 DO - https://doi.org/10.1021/acs.jafc.5b05055 SN - 0021-8561 SN - 1520-5118 VL - 64 IS - 2 SP - 513 EP - 527 PB - American Chemical Society CY - Columbus, Ohio AN - OPUS4-35289 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mielke, Johannes A1 - Hanke, F. A1 - Peters, M.V. A1 - Hecht, S. A1 - Persson, M. A1 - Grill, L. T1 - Adatoms underneath single porphyrin molecules on Au(111) N2 - The adsorption of porphyrin derivatives on a Au(111) surface was studied by scanning tunneling microscopy and spectroscopy at low temperatures in combination with density functional theory calculations. Different molecular appearances were found and could be assigned to the presence of single gold adatoms bonded by a coordination bond underneath the molecular monolayer, causing a characteristic change of the electronic structure of the molecules. Moreover, this interpretation could be confirmed by manipulation experiments of individual molecules on and off a single gold atom. This study provides a detailed understanding of the role of metal adatoms in surface–molecule bonding and anchoring and of the appearance of single molecules, and it should prove relevant for the imaging of related molecule–metal systems. PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-324144 UR - http://pubs.acs.org/doi/pdf/10.1021/ja510528x DO - https://doi.org/10.1021/ja510528x SN - 0002-7863 SN - 1520-5126 VL - 137 IS - 5 SP - 1844 EP - 1849 PB - American Chemical Society CY - Washington, DC AN - OPUS4-32414 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bayerlein, Bernd A1 - Hanke, T. A1 - Muth, Thilo A1 - Riedel, Jens A1 - Schilling, Markus A1 - Schweizer, C. A1 - Skrotzki, Birgit A1 - Todor, A. A1 - Moreno Torres, Benjami A1 - Unger, Jörg F. A1 - Völker, Christoph A1 - Olbricht, Jürgen T1 - A Perspective on Digital Knowledge Representation in Materials Science and Engineering N2 - The amount of data generated worldwide is constantly increasing. These data come from a wide variety of sources and systems, are processed differently, have a multitude of formats, and are stored in an untraceable and unstructured manner, predominantly in natural language in data silos. This problem can be equally applied to the heterogeneous research data from materials science and engineering. In this domain, ways and solutions are increasingly being generated to smartly link material data together with their contextual information in a uniform and well-structured manner on platforms, thus making them discoverable, retrievable, and reusable for research and industry. Ontologies play a key role in this context. They enable the sustainable representation of expert knowledge and the semantically structured filling of databases with computer-processable data triples. In this perspective article, we present the project initiative Materials-open-Laboratory (Mat-o-Lab) that aims to provide a collaborative environment for domain experts to digitize their research results and processes and make them fit for data-driven materials research and development. The overarching challenge is to generate connection points to further link data from other domains to harness the promised potential of big materials data and harvest new knowledge. KW - Data infrastructures KW - Digital representations KW - Digital workflows KW - Knowledge graphs KW - Materials informatics KW - Ontologies KW - Vocabulary providers PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-546729 DO - https://doi.org/10.1002/adem.202101176 SN - 1438-1656 SP - 1 EP - 14 PB - Wiley-VCH GmbH CY - Weinheim AN - OPUS4-54672 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Beygi Nasrabadi, Hossein A1 - Hanke, T. A1 - Weber, M. A1 - Eisenbart, M. A1 - Bauer, F. A1 - Meissner, R. A1 - Dziwis, G. A1 - Tikana, L. A1 - Chen, Yue A1 - Skrotzki, Birgit T1 - Toward a digital materials mechanical testing lab N2 - To accelerate the growth of Industry 4.0 technologies, the digitalization of mechanical testing laboratories as one of the main data-driven units of materials processing industries is introduced in this paper. The digital lab infrastructure consists of highly detailed and standard-compliant materials testing knowledge graphs for a wide range of mechanical testing processes, as well as some tools that enable the efficient ontology development and conversion of heterogeneous materials’ mechanical testing data to the machine-readable data of uniform and standardized structures. As a basis for designing such a digital lab, the mechanical testing ontology (MTO) was developed based on the ISO 23718 and ISO/IEC 21838-2 standards for the semantic representation of the mechanical testing experiments, quantities, artifacts, and report data. The trial digitalization of materials mechanical testing lab was successfully performed by utilizing the developed tools and knowledge graph of processes for converting the various experimental test data of heterogeneous structures, languages, and formats to standardized Resource Description Framework (RDF) data formats. The concepts of data storage and data sharing in data spaces were also introduced and SPARQL queries were utilized to evaluate how the introduced approach can result in the data retrieval and response to the competency questions. The proposed digital materials mechanical testing lab approach allows the industries to access lots of trustworthy and traceable mechanical testing data of other academic and industrial organizations, and subsequently organize various data-driven research for their faster and cheaper product development leading to a higher performance of products in engineering and ecological aspects. KW - General Engineering KW - General Computer Science PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-582698 DO - https://doi.org/10.1016/j.compind.2023.104016 SN - 0166-3615 VL - 153 SP - 1 EP - 15 PB - Elsevier B.V. AN - OPUS4-58269 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -