TY - RPRT A1 - Berger, Wolfgang A1 - Kalbe, Ute A1 - Krüger, Oliver A1 - Hennecke, D. A1 - Hoffe, S. T1 - Validierungsringversuche für E DIN 19527 Elution von Feststoffen - Schüttelverfahren zur Untersuchung des Elutionsverhaltens von organischen Stoffen mit einem Wasser/ Feststoff-Verhältnis von 2 l/kg für Boden- und andere geeignete Materialien N2 - Für die vom Bundesumweltministerium vorgesehene Mantelverordnung sind validierte Unter-suchungsmethoden erforderlich. Dazu gehört auch die Herstellung von wässrigen Eluaten, z.B. zur Beurteilung der Mobilität von Schadstoffen und der Ableitung von Grenzwerten. Ziel des Vorhabens war es, auf der Grundlage geeigneter Testmaterialien (mit prioritären organischen Schadstoffen kontaminierte Böden und Bodenmaterialien) Ringversuche zur Validierung des Schüttelverfahrens nach E DIN 19527 und des Säulenverfahrens für die Übereinstimmungs-untersuchung nach DIN 19528 durchzuführen. Auf der Grundlage der Untersuchungsergebnisse sollten beide Normen bezüglich der Vorgehensweise präzisiert werden und es sollten die während des Ringversuchs ermittelten Verfahrenskenndatenn zur Validierung der Normen herangezogen werden. Darüber hinaus sollten Säulen- und Schüttelverfahren als Übereinstimmungstest vergleichend bewertet werden. Es wurden vier geeignete Ringversuchsmaterialien hergestellt und an insgesamt 18 Ringversuchsteilnehmer ausgegeben. Die Auswertung der Ringversuche erfolgte auf der Grundlage klassischer Statistik nach DIN ISO 5725 mit Hilfe der AuswertesoftwareProLab 2011 (quo data). Auf der Grundlage der Validierungsringversuche wurden die Verfahrenskenndaten für die Norm DIN 19527 ermittelt. Die statistische Auswertung der eingereichten Datensätze war aufgrund der großen Streubreite der Daten schwierig. Die vorgeschriebenen statistischen Methoden zur Datenauswertung adressieren die Behandlung nicht gleichverteilter Datensätze nur ungenügend. Das muss bei der Bewertung der Ergebnisse und deren Zuverlässigkeit berücksichtigt werden. Generell kann festgestellt werden, dass keine signifikanten Unterschiede zwischen den Ergebnissen der Schüttel- und Säulenelution beobachtet werden. Dabei werden beim Schüttelverfahren tendenziell etwas geringere Gesamtmittelwerte erzielt als beim Säulenverfahren, die berechneten Vergleichsvariationskoeffizienten sind für das Schüttelverfahren meist etwas niedriger. Dennoch erweisen sich beide Elutionsverfahren bei den eingesetzten Ringversuchsmaterialien als gut vergleichbar. N2 - Validated investigation methods are required for the drafted decree, called “Mantelverordnung”, comprising the amendment of the Federal Ordinance on Soil Protection and Contaminated Sites, the Federal Ordinance on Mineral Waste Utilization and Groundwater Ordinance published by the German Federal Ministry for the Environment, Nature Conservation and Nuclear Safety in January 2011. These methods include such for the creation of aqueous eluates, which contribute to the evaluation of the mobility of pollutants and the derivation of threshold values. Objectives of the R&D project were interlaboratory tests for the validation of the batch test (E DIN 19527) and the column test using the compliance test option according to DIN 19528 based on contaminated soil test materials with organic pollutants of high priority. Dependent on the test results both standards should be specified concerning the experimental details. Furthermore, the standards shall be validated using the determined performance characteristics. The comparability of column and batch test procedures as compliance tests shall be evaluated in addition. Four appropriate test materials were prepared from two different types of soils, each with the pollutant combinations PAH/PCB and Phenols/TPH/PAH, respectively. These materials were delivered along with test solutions to 18 participants of the interlaboratory comparision. The evaluation of the interlaboratory comparison was carried out on the basis of classical statistics according to DIN ISO 5725. The software ProLab 2011 (quodata) was used for the evaluation. The performance characteristic parameters for the standard DIN 19527 were determined on the basis of the interlaboratory tests. The main challenge was the statistical evaluation due to the fact that the common statistical procedures do not address the evaluation of nonuniformly distributed datasets. This must be considered for the assessment of the results and reliability of the conclusions. However, on a more general level it can be concluded that no significant differences between the batch and column percolation test procedure were observed. The total mean values determined by batch tests tend to be slightly below the values from column tests. The between labvariation coefficients representing the reproducibility of the methods follow the same trend. All in all both methods can be assessed to be equivalent using the materials tested. KW - Kontaminierter Boden KW - PAK KW - PCB KW - MKW KW - Phenole KW - Elutionsverfahren KW - Schütteltest KW - Säulenversuch KW - Validierungsringversuche PY - 2012 SP - 1 EP - 189 AN - OPUS4-53610 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Batatia, Ilyes A1 - Benner, Philipp A1 - Chiang, Yuan A1 - Elena, Alin M. A1 - Kovács, Dávid P. A1 - Riebesell, Janosh A1 - Advincula, Xavier R. A1 - Asta, Mark A1 - Avaylon, Matthew A1 - Baldwin, William J. A1 - Berger, Fabian A1 - Bernstein, Noam A1 - Bhowmik, Arghya A1 - Bigi, Filippo A1 - Blau, Samuel M. A1 - Cărare, Vlad A1 - Ceriotti, Michele A1 - Chong, Sanggyu A1 - Darby, James P. A1 - De, Sandip A1 - Della Pia, Flaviano A1 - Deringer, Volker L. A1 - Elijošius, Rokas A1 - El-Machachi, Zakariya A1 - Fako, Edvin A1 - Falcioni, Fabio A1 - Ferrari, Andrea C. A1 - Gardner, John L. A. A1 - Gawkowski, Mikołaj J. A1 - Genreith-Schriever, Annalena A1 - George, Janine A1 - Goodall, Rhys E. A. A1 - Grandel, Jonas A1 - Grey, Clare P. A1 - Grigorev, Petr A1 - Han, Shuang A1 - Handley, Will A1 - Heenen, Hendrik H. A1 - Hermansson, Kersti A1 - Ho, Cheuk Hin A1 - Hofmann, Stephan A1 - Holm, Christian A1 - Jaafar, Jad A1 - Jakob, Konstantin S. A1 - Jung, Hyunwook A1 - Kapil, Venkat A1 - Kaplan, Aaron D. A1 - Karimitari, Nima A1 - Naik, Aakash A. A1 - Csányi, Gábor T1 - A foundation model for atomistic materials chemistry N2 - Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science. Over the last decade or so, machine-learned force fields have transformed atomistic modeling by enabling simulations of ab initio quality over unprecedented time and length scales. However, early machine-learning (ML) force fields have largely been limited by (i) the substantial computational and human effort required to develop and validate potentials for each particular system of interest and (ii) a general lack of transferability from one chemical system to the next. Here, we show that it is possible to create a general-purpose atomistic ML model, trained on a public dataset of moderate size, that is capable of running stable molecular dynamics for a wide range of molecules and materials. We demonstrate the power of the MACE-MP-0 model—and its qualitative and at times quantitative accuracy—on a diverse set of problems in the physical sciences, including properties of solids, liquids, gases, chemical reactions, interfaces, and even the dynamics of a small protein. The model can be applied out of the box as a starting or “foundation” model for any atomistic system of interest and, when desired, can be fine-tuned on just a handful of application-specific data points to reach ab initio accuracy. Establishing that a stable force-field model can cover almost all materials changes atomistic modeling in a fundamental way: experienced users obtain reliable results much faster, and beginners face a lower barrier to entry. Foundation models thus represent a step toward democratizing the revolution in atomic-scale modeling that has been brought about by ML force fields. KW - Materials Design KW - Thermal Conducitivity KW - Nanoparticles KW - Batteries PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647829 DO - https://doi.org/10.1063/5.0297006 SN - 0021-9606 VL - 163 IS - 18 SP - 1 EP - 89 PB - AIP Publishing AN - OPUS4-64782 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Knabe, C. A1 - Stiller, M. A1 - Kampschulte, M. A1 - Wilbig, Janka A1 - Peleska, B. A1 - Günster, Jens A1 - Gildenhaar, R. A1 - Berger, G. A1 - Rack, A. A1 - Linow, U. A1 - Heiland, M. A1 - Rendenbach, C. A1 - Koerdt, S. A1 - Steffen, C. A1 - Houshmand, A. A1 - Xiang-Tischhauser, L. A1 - Adel-Khattab, D. T1 - A tissue engineered 3D printed calcium alkali phosphate bioceramic bone graft enables vascularization and regeneration of critical-size discontinuity bony defects in vivo N2 - Recently, efforts towards the development of patient-specific 3D printed scaffolds for bone tissue engineering from bioactive ceramics have continuously intensified. For reconstruction of segmental defects after subtotal mandibulectomy a suitable tissue engineered bioceramic bone graft needs to be endowed with homogenously distributed osteoblasts in order to mimic the advantageous features of vascularized autologous fibula grafts, which represent the standard of care, contain osteogenic cells and are transplanted with the respective blood vessel. Consequently, inducing vascularization early on is pivotal for bone tissue engineering. The current study explored an advanced bone tissue engineering approach combining an advanced 3D printing technique for bioactive resorbable ceramic scaffolds with a perfusion cell culture technique for pre-colonization with mesenchymal stem cells, and with an intrinsic angiogenesis technique for regenerating critical size, segmental discontinuity defects in vivo applying a rat model. To this end, the effect of differing Si-CAOP (silica containing calcium alkali orthophosphate) scaffold microarchitecture arising from 3D powder bed printing (RP) or the Schwarzwalder Somers (SSM) replica fabrication technique on vascularization and bone regeneration was analyzed in vivo. In 80 rats 6-mm segmental discontinuity defects were created in the left femur. KW - Additive Manufacturing KW - Bio active ceramic KW - In-vivo KW - Alcium alkali phosphate PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584555 DO - https://doi.org/10.3389/fbioe.2023.1221314 SN - 2296-4185 VL - 11 SP - 1 EP - 20 PB - Frontiers SA CY - Lausanne AN - OPUS4-58455 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Adel-Khattab, D. A1 - Giacomini, F. A1 - Gildenhaar, R. A1 - Berger, G. A1 - Gomes, Cynthia A1 - Linow, Ulf A1 - Hardt, M. A1 - Peleska, B. A1 - Günster, Jens A1 - Stiller, M. A1 - Houshmand, A. A1 - Ghaffar, K. A1 - Gamal, A. A1 - El-Mofty, M. A1 - Knabe, C. T1 - Development of a synthetic tissue engineered three- dimensional printed bioceramic-based bone graft with homogenously distributed osteoblasts and mineralizing bone matrix in vitro N2 - Over the last decade there have been increasing efforts to develop three-dimensional (3D) scaffolds for bone tissue Engineering from bioactive ceramics with 3D printing emerging as a promising technology. The overall objective of the present study was to generate a tissue engineered synthetic bone graft with homogenously distributed osteoblasts and mineralizing bone Matrix in vitro, thereby mimicking the advantageous properties of autogenous bone grafts and facilitating usage for reconstructing segmental discontinuity defects in vivo . To this end, 3D scaffolds were developed from a silica-containing calcium alkali orthophosphate, using, fi rst, a replica technique – the Schwartzwalder – Somers method – and, second, 3D printing, (i.e. rapid prototyping). The mechanical and physical scaffold properties and their potential to facilitate homogenous colonization by osteogenic cells and extracellular bone matrix formation throughout the porous scaffold architecture were examined. Osteoblastic cells were dynamically cultured for 7 days on both scaffold types with two different concentrations of 1.5 and 3 × 10⁹ cells/l. The amount of cells and bone matrix formed and osteogenic marker expression were evaluated using hard tissue histology, immunohistochemical and histomorphometric analysis. 3D-printed scaffolds (RPS) exhibited more micropores, greater compressive strength and silica release. RPS seeded with 3 × 10⁹ cells/l displayed greatest cell and extracellular Matrix formation, mineralization and osteocalcin expression. In conclusion, RPS displayed superior mechanical and biological properties and facilitated generating a tissue engineered synthetic bone graft in vitro, which mimics the advantageous properties of autogenous bone grafts, by containing homogenously distributed terminally differentiated osteoblasts and mineralizing bone matrix and therefore is suitable for subsequent in vivo implantation for regenerating segmental discontinuity bone defects. KW - Bone tissue engineering KW - Calcium alkali orthophosphate KW - Rapid prototyping KW - Scaffold KW - Mandible PY - 2017 DO - https://doi.org/10.1002/term.2362 SN - 1932-6254 SN - 1932-7005 VL - 12 IS - 1 SP - 44 EP - 58 PB - Wiley Online Library AN - OPUS4-40745 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Procop, Mathias A1 - Hodoroaba, Vasile-Dan A1 - Terborg, R. A1 - Berger, D. T1 - Determination of the Effective Detector Area of an Energy-Dispersive X-Ray Spectrometer at the Scanning Electron Microscope Using Experimental and Theoretical X-Ray Emission Yields N2 - A method is proposed to determine the effective detector area for energy-dispersive X-ray spectrometers (EDS). Nowadays, detectors are available for a wide range of nominal areas ranging from 10 up to 150mm2. However, it remains in most cases unknown whether this nominal area coincides with the “net active sensor area” that should be given according to the related standard ISO 15632, or with any other area of the detector device. Moreover, the specific geometry of EDS installation may further reduce a given detector area. The proposed method can be applied to most scanning electron microscope/EDS configurations. The basic idea consists in a comparison of the measured count rate with the count rate resulting from known X-ray yields of copper, titanium, or silicon. The method was successfully tested on three detectors with known effective area and applied further to seven spectrometers from different manufacturers. In most cases the method gave an effective area smaller than the area given in the detector description. KW - Energy-dispersive X-ray spectrometer (EDS) KW - EDX KW - Effective area KW - X-ray emission yield KW - Geometrical collection efficiency PY - 2016 UR - https://www.cambridge.org/core/journals/microscopy-and-microanalysis/article/div-classtitledetermination-of-the-effective-detector-area-of-an-energy-dispersive-x-ray-spectrometer-at-the-scanning-electron-microscope-using-experimental-and-theoretical-x-ray-emission-yieldsdiv/E15B2E67C349201CF323E778EB9C6D94 DO - https://doi.org/10.1017/S1431927616011788 VL - 22 IS - 6 SP - 1360 EP - 1368 PB - Cambridge University Press CY - New York, NY, USA AN - OPUS4-38858 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ortel, Erik A1 - Hertwig, Andreas A1 - Berger, D. A1 - Esposito, P. A1 - Rossi, A. M. A1 - Kraehnert, R. A1 - Hodoroaba, Vasile-Dan T1 - New approach on quantification of porosity of thin films via electron-excited X‑ray spectra N2 - One of the crucial characteristics of functionalized thin films is their porosity (i.e., the ratio between the pore volume and the volume of the whole film). Due to the very low amount of material per coated area corresponding to thin films, it is a challenge for analytics to measure the film porosity. In this work, we present an Approach to determine the porosity of thin films by means of electron probe microanalysis (EPMA) either by wavelength-dispersive X-ray spectrometry (WDX) or by energy-dispersive X-ray spectrometry (EDX) with a scanning electron microscope (SEM). The procedure is based on the calculation of the film mass deposition from electron-excited X-ray spectra. The mass deposition is converted into film density by division of measured film thickness. Finally, the film porosity is calculated from the measured film density and the density of bulk, nonporous film material. The general applicability of the procedure to determine the porosity is demonstrated on thin templated mesoporous TiO₂ films, dip-coated on silicon wafer, with controlled porosity in the range of 15 to 50%. The high accuracy of the mass deposition as determined from X-ray spectra was validated with independent methods (ICP-OES and weighing). Furthermore, for the validation of the porosity results, ellipsometry, interference fringes method (IFM), and focused ion beam (FIB) cross sectioning were employed as independent techniques. Hence, the approach proposed in the present study is proven to be suited as a new analytical tool for accurate and relatively fast determination of the porosity of thin films. KW - Porosity KW - X-rays KW - EDX KW - Thin film KW - TiO2 KW - Density KW - Mass deposition KW - STRATAGem PY - 2016 UR - http://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b00847 DO - https://doi.org/10.1021/acs.analchem.6b00847 VL - 88 IS - 14 SP - 7083 EP - 7090 PB - ACS Publications CY - 1155 Sixteenth Street N.W., Washington, DC 20036 AN - OPUS4-36911 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Genga, R. M. A1 - Conze, S. A1 - Berger, L.M. A1 - Pötschke, J. A1 - Witte, Julien A1 - Schröpfer, D. A1 - Cermak, A. A1 - Zeman, P. A1 - Ngongo, S. A1 - Janse van Vuuren, A. T1 - Enhanced Fe and Ni bonded NbC Laser Surface Engineered based Hardmetals: Alternative Cutter Materials for Electric Vehicle Applications N2 - The efforts to substitute both tungsten carbide (WC) and cobalt (Co) has gained prominence in recent years due to the classification of Co as a carcinogen and the classification of Co and W as critical raw materials in the EU as well as within regulations of the U.S. National Toxicology Program. In this study, substitution of both WC and Co with advanced hardmetals consisting of NbC with Ni and Fe-based metal binders are investigated for their use of machining of metals used electric vehicle manufacturing. The developed NbC-Ni/Fe based hardmetals employ a Machining Property Led Tailored Design (MPLTD) approach. This reverse engineering strategy uses data from machining performance to guide the development of microstructural, mechanical, and behavioral properties. Four advanced NbC-based hardmetals were produced, two with Ni-based binders and two with Fe-based binders, along with two reference materials for comparison (WC-Co and straight NbC-12Ni). Hardmetals were characterized using field emission scanning electron microscopy (FE-SEM), annular dark-field scanning transmission electron microscopy (ADF-STEM), Vickers hardness, fracture toughness, and elastic moduli. Cutting tool inserts were manufactured from the developed hardmetals and enhanced using femto-second laser surface engineering. The inserts’ performance was evaluated through face milling tests on AZ31 automotive magnesium alloy, providing insights into their suitability for high-demand industrial applications. T2 - 21. Plansee Seminar CY - Reutte, Österreich DA - 01.06.2025 KW - Niobium carbide KW - Alternative binders KW - Alternative hard phases KW - Face milling KW - AZ31 magnesium alloy PY - 2025 VL - 2025 SP - 1 EP - 10 AN - OPUS4-65382 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reiche, I. A1 - Berger, Achim A1 - Duval, A. A1 - Guicharnaud, H. A1 - Merchel, Silke A1 - Radtke, Martin A1 - Schäfer, D. A1 - Simon, R. T1 - SY-XRF study of Hans Baldung Grien silverpoint drawings and the silver stylus from the 'Karlsruhe sketchbook' N2 - We performed spatially resolved synchrotron-induced x-ray fluorescence analyses (SY-XRF) of five silverpoint drawings from the famous `Karlsruhe sketchbook´ and a silverpoint, which is assumed to be an original one used by the Renaissance artist Hans Baldung Grien (1484-1545) himself. The silverpoint, one out of a very small number of ancient styli conserved nowadays, is fixed on the so-called `Karlsruhe sketchbook´. Measurements were executed at the FLUO-TOPO beamline at the electron storage ring ANKA. It has been shown, that SY-XRF at this beamline is nondestructive and sensitive enough for the analysis of minor and major elements in the silver strokes. This study provides new insights into this graphical technique and ancient drawing instruments: results are that three drawings have been created with a common type of silverpoint containing about (10.4 ± 0.7) wt% of Cu. In all the cases, Hg at a 10% level by weight was identified in the strokes. Presence of Hg is not due to the original silver alloy, but is a result of a general alteration phenomenon of silverpoint drawings. This fact is confirmed by the analysis of the original silverpoint, which contains only small traces of Hg. The result for the copper content of the silverpoint (10.4 ± 1.7) wt% is in good agreement with that of these three drawings. It is supposable that the silverpoint found attached today served for the creation of the corresponding drawings. Moreover, the graphical technique of Baldung is found to be continual over three decades. Only one very late drawing dated to 1543 was probably realized with another silverpoint, containing about 3 wt% of Cu. This difference in the chemical composition of drawings from the late period might be used as a more precise dating indicator of Baldung drawings that are not clearly attributed to a certain period. KW - Synchrotron KW - XRF analysis KW - Drawings KW - Silver stylus PY - 2007 DO - https://doi.org/10.1002/xrs.963 SN - 0049-8246 VL - 36 IS - 3 SP - 173 EP - 177 PB - Wiley CY - Chichester AN - OPUS4-16150 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Müeller, W.-D. A1 - Gross, U. A1 - Fritz, Th. A1 - Voigt, Ch. A1 - Fischer, P. A1 - Berger, Georg A1 - Rogaschewski, S. A1 - Lange, K.-P. T1 - Evaluation of the interface between bone and titanium surfaces being blasted by aluminium oxide or bioceramic particles N2 - The surface structure, in particular the surface roughness, and the surface chemistry of titanium implants influence their anchoring in bone. The aim of this study was to analyse metal-bone contact (MBC) after modification of the implant surface, using different materials for blasting. The surface modification of titanium was produced by blasting it with particles made of Al2O3 or bioceramics. The biological effects were then investigated experimentally using 27 rabbits, analysed after 7, 28 and 84 days after the implantation of titanium cylinders treated accordingly. The MBC showed a tendency for more bone after bioceramics were used as a blasting material, compared to Al2O3. KW - Dental implants KW - Surface modification KW - Animal experiment KW - Bioceramics PY - 2003 DO - https://doi.org/10.1034/j.1600-0501.2003.00791.x SN - 0905-7161 SN - 1600-0501 VL - 14 IS - 3 SP - 349 EP - 356 PB - Blackwell Munksgaard CY - Oxford AN - OPUS4-3506 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -