TY - JOUR A1 - Tu, Z. A1 - Donskyi, Ievgen A1 - Qiao, H. A1 - Zhu, Z. A1 - Unger, Wolfgang A1 - Hackenberger, C. P. R. A1 - Chen, W. A1 - Adeli, M. A1 - Haag, R. T1 - Graphene Oxide-Cyclic R10 Peptide Nuclear Translocation Nanoplatforms for the Surmounting of Multiple-Drug Resistance N2 - Multidrug resistance resulting from a variety of defensive pathways in Cancer has become a global concern with a considerable impact on the mortality associated with the failure of traditional chemotherapy. Therefore, further research and new therapies are required to overcome this challenge. In this work, a cyclic R10 peptide (cR10) is conjugated to polyglycerol-covered nanographene oxide to engineer a nanoplatform for the surmounting of multidrug resistance. The nuclear translocation of the nanoplatform, facilitated by cR10 peptide, and subsequently, a laser-triggered release of the loaded doxorubicin result in efficient anticancer activity confirmed by both in vitro and in vivo experiments. The synthesized nanoplatform with a combination of different features, including active nucleus-targeting, highloading capacity, controlled release of cargo, and photothermal property, provides a new strategy for circumventing multidrug resistant cancers. KW - Graphen Oxide KW - Nanoplatform KW - Cancer PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-510061 DO - https://doi.org/10.1002/adfm.202000933 VL - 30 IS - 35 SP - 2000933 PB - Wiley VCH AN - OPUS4-51006 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Otto, Peter A1 - de Lorenzis, L. A1 - Unger, Jörg F. T1 - Explicit dynamics in impact simulation using a NURBS contact interface N2 - In this paper, the impact problem and the subsequent wave Propagation are considered. For the contact discretization an intermediate non-uniform rational B-spline (NURBS) layer is added between the contacting finite element bodies, which allows a smooth contact formulation and efficient element-based integration. The impact event is ill-posed and requires a regularization to avoid propagating stress oscillations. A nonlinear mesh-dependent penalty regularization is used, where the stiffness of the penalty regularization increases upon mesh refinement. Explicit time integration methods are well suited for wave propagation problems, but are efficient only for diagonal mass matrices. Using a spectral element discretization in combination with a NURBS contact layer the bulk part of the mass matrix is diagonal. KW - Explicit dynamics KW - Impact simulation KW - Isogeometric analysis KW - mortar method KW - spectral elements PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-506041 DO - https://doi.org/10.1002/nme.6264 VL - 121 IS - 6 SP - 1248 EP - 1267 PB - Wiley Online Libary AN - OPUS4-50604 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Otto, Peter A1 - Lorenzis, L. A1 - Unger, Jörg F. T1 - Explicit dynamics in impact simulation using a NURBS contact interface N2 - In this paper, the impact problem and the subsequent wave propagation are considered. For the contact discretization an intermediate NURBS layer is added between the contacting finite element bodies, which allows a smooth contact formulation and efficient element‐based integration. The impact event is ill‐posed and requires a regularization to avoid propagating stress oscillations. A nonlinear mesh dependent penalty regularization is used, where the stiffness of the penalty regularization increases upon mesh refinement. Explicit time integration methods are well suited for wave propagation problems, but are efficient only for diagonal mass matrices. Using a spectral element discretization and the coupled FE‐NURBS approach the bulk part of the mass matrix is diagonal. KW - Impact simulation KW - Explicit dynamics KW - Isogeometric analysis KW - Spectral elements KW - Mortar method PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-494947 DO - https://doi.org/10.1002/nme.6264 SP - 1 EP - 21 PB - Wiley Online Libary AN - OPUS4-49494 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stockmann, Jörg M. A1 - Radnik, Jörg A1 - Bütefisch, S. A1 - Busch, I. A1 - Weimann, T. A1 - Passiu, C. A1 - Rossi, A. A1 - Unger, Wolfgang T1 - A new test specimen for the determination of the field of view of small-area X-ray photoelectron spectrometers N2 - Small-area/spot photoelectron spectroscopy (SAXPS) is a powerful tool for the investigation of small surface features like microstructures of electronic devices, sensors or other functional surfaces, and so forth. For evaluating the quality of such microstructures, it is often crucial to know whether a small signal in a spectrum is an unwanted contamination of the field of view (FoV), defined by the instrument settings, or it originated from outside. To address this issue, the d80/20 parameter of a line scan across a chemical edge is often used. However, the typical d80/20 parameter does not give information on contributions from the long tails of the X-ray beam intensity distribution or the electron-optical system as defined by apertures. In the VAMAS TWA2 A22 project “Applying planar, patterned, multi-metallic samples to assess the impact of analysis area in surface-chemical analysis,” new test specimen was developed and tested. The here presented testing material consists of a silicon wafer substrate with an Au-film and embedded Cr circular and square spots with decreasing dimensions from 200 μm down to 5 μm. The spot sizes are traceable to the length unit due to size measurements with a metrological SEM. For the evaluation of the FoV, we determined the Au4f intensities measured with the center of the FoV aligned with the center of the spot and normalized to the Au4f intensity determined on the Au-film. With this test specimen, it was possible to characterize, as an example, the FoV of a Kratos AXIS Ultra DLD XPS instrument. T2 - ECASIA 2019 CY - Dresden, Germany DA - 15.09.2019 KW - Field of view KW - Reference material KW - Selected area XPS KW - Small-area XPS KW - Small-spot XPS PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-509902 DO - https://doi.org/10.1002/sia.6831 SN - 1096-9918 VL - 52 IS - 12 SP - 890 EP - 894 PB - John Wiley & Sons Ltd AN - OPUS4-50990 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Diercks, Philipp A1 - Gläser, Dennis A1 - Lünsdorf, Ontje A1 - Selzer, Michael A1 - Flemisch, Bernd A1 - Unger, Jörg F. T1 - Evaluation of tools for describing, reproducing and reusing scientific workflows N2 - In the field of computational science and engineering, workflows often entail the application of various software, for instance, for simulation or pre- and postprocessing. Typically, these components have to be combined in arbitrarily complex workflows to address a specific research question. In order for peer researchers to understand, reproduce and (re)use the findings of a scientific publication, several challenges have to be addressed. For instance, the employed workflow has to be automated and information on all used software must be available for a reproduction of the results. Moreover, the results must be traceable and the workflow documented and readable to allow for external verification and greater trust. In this paper, existing workflow management systems (WfMSs) are discussed regarding their suitability for describing, reproducing and reusing scientific workflows. To this end, a set of general requirements for WfMSs were deduced from user stories that we deem relevant in the domain of computational science and engineering. On the basis of an exemplary workflow implementation, publicly hosted at GitHub (https://github.com/BAMresearch/NFDI4IngScientificWorkflowRequirements), a selection of different WfMSs is compared with respect to these requirements, to support fellow scientists in identifying the WfMSs that best suit their requirements. KW - FAIR KW - Reproducibility KW - Scientific workflows KW - Tool comparison KW - Workflow management PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584832 DO - https://doi.org/10.48694/inggrid.3726 VL - 1 IS - 1 SP - 1 EP - 27 AN - OPUS4-58483 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Titscher, Thomas A1 - van Dijk, T. A1 - Kadoke, Daniel A1 - Robens-Radermacher, Annika A1 - Herrmann, Ralf A1 - Unger, Jörg F. T1 - Bayesian model calibration and damage detection for a digital twin of a bridge demonstrator N2 - Using digital twins for decision making is a very promising concept which combines simulation models with corresponding experimental sensor data in order to support maintenance decisions or to investigate the reliability. The quality of the prognosis strongly depends on both the data quality and the quality of the digital twin. The latter comprises both the modeling assumptions as well as the correct parameters of these models. This article discusses the challenges when applying this concept to realmeasurement data for a demonstrator bridge in the lab, including the data management, the iterative development of the simulation model as well as the identification/updating procedure using Bayesian inference with a potentially large number of parameters. The investigated scenarios include both the iterative identification of the structural model parameters as well as scenarios related to a damage identification. In addition, the article aims at providing all models and data in a reproducibleway such that other researcher can use this setup to validate their methodologies. KW - Damage detection KW - Finite element analysis KW - Load identification KW - Model updating KW - Estimation KW - System identification KW - Variational Bayesian statistics PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-574496 DO - https://doi.org/10.1002/eng2.12669 SN - 2577-8196 SP - 1 EP - 27 PB - Wiley CY - Hoboken, NJ AN - OPUS4-57449 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Diercks, Philipp A1 - Veroy, K. A1 - Robens-Radermacher, Annika A1 - Unger, Jörg F. T1 - Multiscale modeling of linear elastic heterogeneous structures via localized model order reduction N2 - In this paper, a methodology for fine scale modeling of large scale linear elastic structures is proposed, which combines the variational multiscale method, domain decomposition and model order reduction. The influence of the fine scale on the coarse scale is modelled by the use of an additive split of the displacement field, addressing applications without a clear scale separation. Local reduced spaces are constructed by solving an oversampling problem with random boundary conditions. Herein, we inform the boundary conditions by a global reduced problem and compare our approach using physically meaningful correlated samples with existing approaches using uncorrelated samples. The local spaces are designed such that the local contribution of each subdomain can be coupled in a conforming way, which also preserves the sparsity pattern of standard finite element assembly procedures. Several numerical experiments show the accuracy and efficiency of the method, as well as its potential to reduce the size of the local spaces and the number of training samples compared to the uncorrelated sampling. KW - Multiscale methods KW - Variational multiscale method KW - Localized model order reduction KW - Domain decomposition methods PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-580671 DO - https://doi.org/10.1002/nme.7326 SN - 0029-5981 SP - 1 EP - 23 PB - Wiley online library AN - OPUS4-58067 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lecompagnon, Julien A1 - Hirsch, Philipp Daniel A1 - Rupprecht, C. A1 - Ziegler, Mathias T1 - Nondestructive thermographic detection of internal defects using pixel-pattern based laser excitation and photothermal super resolution reconstruction N2 - In this work, we present a novel approach to photothermal super resolution based thermographic resolution of internal defects using two-dimensional pixel pattern-based active photothermal laser heating in conjunction with subsequent numerical reconstruction to achieve a high-resolution reconstruction of internal defect structures. With the proposed adoption of pixelated patterns generated using laser coupled high-power DLP projector technology the complexity for achieving true two-dimensional super resolution can be dramatically reduced taking a crucial step forward towards widespread practical viability. Furthermore, based on the latest developments in high-power DLP projectors, we present their first application for structured pulsed thermographic inspection of macroscopic metal samples. In addition, a forward solution to the underlying inverse problem is proposed along with an appropriate heuristic to find the regularization parameters necessary for the numerical inversion in a laboratory setting. This allows the generation of synthetic measurement data, opening the door for the application of machine learning based methods for future improvements towards full automation of the method. Finally, the proposed method is experimentally validated and shown to outperform several established conventional thermographic testing techniques while conservatively improving the required measurement times by a factor of 8 compared to currently available photothermal super resolution techniques. KW - Thermography KW - Super resolution KW - NDT KW - Inspection KW - Internal defects KW - DMD KW - DLP PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-570551 DO - https://doi.org/10.1038/s41598-023-30494-2 SN - 2045-2322 VL - 13 SP - 1 EP - 13 PB - Nature Research AN - OPUS4-57055 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Straße, Anne A1 - Rethmeier, Michael A1 - Gumenyuk, Andrey T1 - Influence of edge‑deposited layers on mechanical and corrosion properties of laser beam welds of 15 mm thick AISI 2205 duplex stainless steel N2 - AISI 2205 duplex stainless steel is used in a variety of industries, including the chemical and petrochemical industries. This is due to its high tensile strength combined with good ductility and corrosion resistance. However, in laser beam welding, these properties are negatively afected by the high cooling rates typical of the welding process. The resulting higher ferrrite content in the weld metal than in the base material leads to a reduction in the ductility and corrosion resistance of the welded joint. To overcome this problem, in this study, thick plates were coated by direct energy deposition (DED) prior to laser beam welding, whereas a duplex powder mixture containing a higher nickel concentration was used as a coating material. To improve the weld quality for the proposed two-step process, a method of additional material deposition instead of conventional tack weld was investigated. The resulting welded joints showed a well-balanced austenite to ferrite ratio and their properties and microstructure were verifed by metallographic analysis, electron backscatter difraction and Charpy impact testing. Using the standard ASTM G48 test method, it was found that the corrosion resistance of the welds was improved by a factor of four in average compared to the conventionally welded joints. The resulting properties, such as good ductility and corrosion resistance, of the welds with pre-coated edges showed good agreement with those of the base metal and confrmed the proposed two-step process as a promising alternative to the conventional approaches for welding thick duplex stainless steel plates. KW - Laser metal deposition KW - Laser beam welding KW - Duplex steels PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-581731 UR - https://rdcu.be/dlb6E DO - https://doi.org/10.1007/s40194-023-01567-7 SN - 0043-2288 SP - 1 EP - 12 PB - Springer AN - OPUS4-58173 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Andrés Arcones, Daniel A1 - Weiser, M. A1 - Koutsourelakis, F. A1 - Unger, Jörg F. T1 - A Bayesian Framework for Simulation-based Digital Twins of Bridges N2 - Simulation-based digital twins have emerged as a powerful tool for evaluating the mechanical response of bridges. As virtual representations of physical systems, digital twins can provide a wealth of information that complements traditional inspection and monitoring data. By incorporating virtual sensors and predictive maintenance strategies, they have the potential to improve our understanding of the behavior and performance of bridges over time. However, as bridges age and undergo regular loading and extreme events, their tructural characteristics change, often differing from the predictions of their initial design. Digital twins must be continuously adapted to reflect these changes. In this article, we present a Bayesian framework for updating simulation-based digital twins in the context of bridges. Our approach integrates information from measurements to account for inaccuracies in the simulation model and quantify uncertainties. Through its implementation and assessment, this work demonstrates the potential for digital twins to provide a reliable and up-to-date representation of bridge behavior, helping to inform decision-making for maintenance and management. T2 - Eurostruct 2023 CY - Vienna, Austria DA - 25.09.2023 KW - Digital Twins KW - Bayesian Inference KW - Bridge Monitoring KW - Uncertainty Quantification PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-586803 UR - https://eurostruct.org/eurostruct-2023/ DO - https://doi.org/10.1002/cepa.2177 SN - 2509-7075 VL - 6 IS - 5 SP - 734 EP - 740 PB - Ernst & Sohn CY - Berlin AN - OPUS4-58680 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -