TY - CONF A1 - Kalbe, Ute A1 - Berger, Wolfgang A1 - Eckardt, Jürgen A1 - Breu, J. A1 - Kerzdörfer, H. ED - Schroeder, J. T1 - Erste Ergebnisse von Langzeituntersuchungen zur langfristigen Beeinflussung von tonigen Barrieren durch organische Schadstoffe T2 - Geo-Berlin '98 - gemeinsame Jahrestagung CY - Berlin, Deutschland DA - 1998-10-06 KW - Deponieabdichtung KW - Kombinationsdichtung KW - Mineralische Dichtung KW - Organische Schadstoffe PY - 1998 SN - 0946-8978 N1 - Serientitel: Terra nostra – Series title: Terra nostra IS - 3 SP - P84 EP - P85 PB - Alfred-Wegener-Stiftung CY - Köln AN - OPUS4-1340 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kalbe, Ute A1 - Berger, Wolfgang A1 - Eckardt, Jürgen A1 - Breu, J. A1 - Kerzdörfer, H. ED - Henning, K.-H. ED - Wagner, J. F. T1 - Ergebnisse von Laboruntersuchungen zur Langzeitbeständigkeit mineralischer Abdichtungen gegenüber organischen Schadstoffen im Deponiebau T2 - Jahrestagung der Deutschen Ton- und Tonmineralgruppe CY - Greifswald, Germany DA - 1998-09-03 KW - Deponieabdichtung KW - Langzeitbeständigkeit KW - Organische Schadstoffe KW - Ton PY - 1998 SN - 1432-7007 N1 - Serientitel: Berichte der Deutschen Ton- und Tonmineralgruppe – Series title: Berichte der Deutschen Ton- und Tonmineralgruppe IS - 6 SP - 23 EP - 37 PB - Universität Trier CY - Trier AN - OPUS4-1339 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kalbe, Ute A1 - Berger, Wolfgang A1 - Eckardt, Jürgen A1 - Breu, J. A1 - Kerzdörfer, H. T1 - Erste Ergebnisse von Langzeituntersuchungen zur langfristigen Beeinflussung von tonigen Barrieren durch organische Schadstoffe KW - Deponieabdichtung KW - Kombinationsdichtung KW - Mineralische Dichtung KW - Organische Schadstoffe PY - 1998 SN - 0343-107x IS - 88 SP - 425 EP - 428 PB - Deutsche Bodenkundliche Gesellschaft CY - Göttingen AN - OPUS4-1341 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 - Braun, Ulrike A1 - Lorenz, Edelgard A1 - Weimann, Christiane A1 - Sturm, Heinz A1 - Karimov, I. A1 - Ettl, J. A1 - Meier, R. A1 - Wohlgemuth, W. A. A1 - Berger, H. A1 - Wildgruber, M. T1 - Mechanic and surface properties of central-venous port catheters after removal: A comparison of polyurethane and Silicon rubber materials N2 - Central venous port devices made of two different polymeric materials, thermoplastic polyurethane (TPU)and silicone rubber (SiR), were compared due their material properties. Both naïve catheters as well as catheters after removal from patients were investigated. In lab experiments the influence of various chemo-therapeutic solutions on material properties was investigated, where as the samples after removal were compared according to the implanted time inpatient. The macroscopic,mechanical performance was assessed with dynamic, specially adapted tests for elasticity. The degradation status of the materials was determined with common tools of polymer characterisation, such as infrared spectroscopy, molecular weight measurements and various methods of thermal analysis. The surface morphology was an alysed using scanning electron microscopy. A correlation between material properties and clinical performance was proposed. The surface morphology and chemical composition of the polyurethane catheter materials can potentially result in increased susceptibility of the catheter to bloodstream infections and thrombotic complications. The higher mechanic failure,especially with increasing implantation time of the silicone catheters is related to the lower mechanical performance compared to the polyurethane material as well as loss of barium sulphate filler particles near the surface of the catheter. This results in preformed microscopic notches, which act as predetermined sites of fracture. KW - Thermoplastic polyurethane (TPU) KW - Silicone rubber (SiR) KW - Catheters KW - Central venous access port KW - Complication KW - Structure propertyrelationship KW - Mechanical testing PY - 2016 DO - https://doi.org/10.1016/j.jmbbm.2016.08.002 SN - 1751-6161 SN - 1878-0180 VL - 64 SP - 281 EP - 291 PB - Elsevier Ltd. AN - OPUS4-37178 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 - CONF A1 - Merchel, Silke A1 - Berger, Achim A1 - Görner, Wolf A1 - Radtke, Martin A1 - Riesemeier, Heinrich A1 - Reiche, I. A1 - Riederer, J. A1 - Duval, A. A1 - Guicharnaud, H. T1 - Non-Destructive Investigations of Dürer's Silver Point Drawings by Pixe and SY-XRF T2 - 7th International Conference on Non-destructive testing and Microanalysis for the Diagnostics and Conservation of the Cultural and Environmental Heritage ; art 2002 CY - Antwerp, Belgium DA - 2002-06-02 PY - 2002 UR - http://srs.dl.ac.uk/arch/publications/reiche/reiche_fullcorr.pdf SP - 82 AN - OPUS4-1400 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Reiche, I. A1 - Berger, Achim A1 - Duval, A. A1 - Görner, Wolf A1 - Guicharnaud, H. A1 - Merchel, Silke A1 - Radtke, Martin A1 - Riederer, J. A1 - Riesemeier, Heinrich T1 - Traces of Albrecht Dürer: Non-destructive analyses of Renaissance silverpoint drawings KW - Nuclear industry KW - Nuclear medicine PY - 2004 SN - 92-0-114703-1 SN - 0074-1876 IS - 1181 SP - 138 EP - 142 PB - IAEA CY - Vienna AN - OPUS4-5548 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Reiche, I. A1 - Berger, Achim A1 - Duval, A. A1 - Görner, Wolf A1 - Guicharnaud, H. A1 - Merchel, Silke A1 - Radtke, Martin A1 - Riederer, J. A1 - Riesemeier, Heinrich A1 - Roth, M. ED - Röhrs, S. T1 - Auf den Spuren Albrecht Dürers - Zerstörungsfreie Untersuchung von Silberstiftzeichnungen mittels Mikro-PIXE und Synchrotron-induzierter Mikro-RFA T2 - Jahrestagung 2003 im Ethnologischen Museum Berlin-Dahlem CY - Berlin, Deutschland DA - 2003-03-12 PY - 2003 SN - 3-00-014223-1 SN - 0949-4057 SP - 118 EP - 120 CY - [Frankfurt am Main] AN - OPUS4-2356 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin A1 - Berger, Achim A1 - Görner, Wolf A1 - Merchel, Silke A1 - Reiche, I. A1 - Riederer, J. A1 - Riesemeier, H. T1 - Spatial Resolved Trace Analysis of Dürer's Silver Point Drawings by Means of SR-XRF T2 - European Conference on Energy Dispersive X-Ray Spectrometry (EDXRS) CY - Berlin, Germany DA - 2002-06-16 PY - 2002 SP - 158 AN - OPUS4-1397 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -