TY - CONF A1 - Hahn, Marc Benjamin A1 - Zutta Villate, J. M. T1 - BP150: Combined cell and nanoparticle models for TOPAS to study radiation dose enhancement by Monte-Carlo based particle scattering Simulations N2 - Dose enhancement by gold nanoparticles (AuNP) increases the biological effectiveness of radiation damage in biomolecules and tissue. To apply them effectively during cancer therapy their influence on the locally delivered dose has to be determined. Hereby, the AuNP locations strongly influence the energy deposit in the nucleus, mitochondria, membrane and the cytosol of the targeted cells. In this work, two newly developed continuous and discrete-geometric models for simulations of AuNP in cells are presented. We apply the presented models in Monte-Carlo particle scattering simulations to characterize the energy deposit in cell organelles by radioactive 198AuNP. They emit beta and gamma rays and are therefore considered for applications with solid tumors. Differences in local dose enhancement between randomly distributed and nucleus targeted nanoparticles are compared. Hereby nucleus targeted nanoparticels showed a strong local dose enhancement in the radio sensitive nucleus. T2 - DPG Frühjahrstagung CY - Dresden, Germany DA - 26.03.2023 KW - AuNP KW - Beta decay KW - Brachytherapy KW - Cancer treatment KW - Clustered nanoparticles KW - DNA KW - DNA damage KW - Dosimetry KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - Gold Nanoparticles KW - LEE KW - Livermore model KW - Low energy electrons KW - MCS KW - Microdosimetry KW - Monte-Carlo simulation KW - NP KW - OH radical KW - Penelope model KW - Radiation damage KW - Radiation therapy KW - Radiationtherapy KW - Radioactive decay KW - Radiolysis KW - Radiotherapy KW - Simulation KW - TOPAS KW - TOPAS-nbio KW - Beta particle KW - Particle scattering KW - Protein KW - Proteins PY - 2023 AN - OPUS4-57253 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Combined cell and nanoparticle models for TOPAS to study radiation dose enhancement by Monte-Carlo based particle scattering Simulations N2 - Dose enhancement by gold nanoparticles (AuNP) increases the biological effectiveness of radiation damage in biomolecules and tissue. To apply them effectively during cancer therapy their influence on the locally delivered dose has to be determined.[1] Hereby, the AuNP locations strongly influence the energy deposit in the nucleus, mitochondria, membrane and the cytosol of the targeted cells. To estimate these effects, particle scattering simulations are applied. In general, different approaches for modeling the AuNP and their distribution within the cell are possible. In this work, two newly developed continuous and discrete-geometric models for simulations of AuNP in cells are presented. [2] These models are applicable to simulations of internal emitters and external radiation sources. Most of the current studies on AuNP focus on external beam therapy. In contrast, we apply the presented models in Monte-Carlo particle scattering simulations to characterize the energy deposit in cell organelles by radioactive 198AuNP. They emit beta and gamma rays and are therefore considered for applications with solid tumors. Differences in local dose enhancement between randomly distributed and nucleus targeted nanoparticles are compared. Hereby nucleus targeted nanoparticels showed a strong local dose enhancement in the radio sensitive nucleus. These results are the foundation for ongoing experimental work which aims to obtain a mechanistic understanding of cell death induced by radioactive 198Au. T2 - #RSCposter 2023 CY - Online meeting DA - 28.02.2023 KW - AuNP KW - Beta decay KW - Brachytherapy KW - Cancer treatment KW - Clustered nanoparticles KW - DNA KW - DNA damage KW - Dosimetry KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - Gold Nanoparticles KW - LEE KW - Livermore model KW - Low energy electrons KW - MCS KW - Microdosimetry KW - Monte-Carlo simulation KW - NP KW - OH radical KW - Penelope model KW - Radiation damage KW - Radiation therapy KW - Radiationtherapy KW - Radiotherapy KW - Radioactive decay KW - Radiolysis KW - Simulation KW - TOPAS KW - TOPAS-nbio KW - beta particle KW - particle scattering PY - 2023 AN - OPUS4-57060 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Temperature in micromagnetism: Cell size and scaling effects of the stochastic Landau-Lifshitz equation N2 - The movement of the macroscopic magnetic moment in ferromagnetic systems can be described by the Landau-Lifshitz (LL) or Landau-Lifshitz-Gilbert (LLG) equation. These equations are strictly valid only at absolute zero temperature. To include temperature effects a stochastic version of the LL or LLG equation for a spin density of one per unit cell can be used instead. To apply the stochastic LL to micromagnetic simulations, where the spin density per unit cell is generally higher, a conversion regarding simulation cell size and temperature has to be established. Based on energetic considerations, a conversion for ferromagnetic bulk and thin film systems is proposed. The conversion is tested in micromagnetic simulations which are performed with the Object Oriented Micromagnetic Framework (OOMMF). The Curie temperatures of bulk Nickel, Cobalt and Iron systems as well as Nickel thin-film systems with thicknesses between 6.3 mono layer (ML) and 31ML are determined from micromagnetic simulations. The results show a good agreement with experimentally determined Curie temperatures of bulk and thin film systems when temperature scaling is performed according to the presented model. T2 - #RSCposter 2023 CY - Online meeting DA - 28.02.2023 KW - Exchange interaction KW - Ferromagnetism KW - LLG KW - Landau Lifshitz equation KW - Magnetic moment KW - Magnetic nanoparticles KW - Micromagnetism KW - OOMMF KW - Object oriented micromagnetic framework KW - Stochastic Landau Lifshitz Gilbert equation KW - Temperature scaling PY - 2023 AN - OPUS4-57062 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wegner, Karl David A1 - Häusler, I. A1 - Knigge, Xenia A1 - Hodoroaba, Vasile-Dan A1 - Emmerling, Franziska A1 - Reiss, P. A1 - Resch-Genger, Ute T1 - One-Pot Heat-Up Synthesis of ZnSe Magic-Sized Clusters Using Thiol Ligands N2 - The unique optoelectronic properties of semiconductor nanocrystals, also termed quantum dots (QDs), have led to many advances in optoelectronic devices, bioimaging, and biosensing. This strong potential in a wide range of applications sparked the interest for a better understanding of the QD formation mechanisms. Recent studies have shown that atomically defined, zero-dimensional magic-size clusters (MSCs) play a crucial role during the nucleation and growth of QDs. Thereby MSCs consist of discrete numbers of ions leading to narrow size distributions and thus narrow absorption peaks, which evolve in discrete steps from one stable size to the next. The formation of MSCs was found in the synthesis of II-VI and III-V QDs but only limited synthesis approaches are available for the synthesis of MSCs in single-ensemble form without coexistence of other-size QDs. These MSCs can further self-assemble into two- and three-dimensional hybrid structures using organic ligands like diamines, leading to enhanced photoluminescence properties and catalytic activities. In this contribution, we present a synthesis strategy for the preparation of single-sized ZnSe MSCs. With a band gap of 2.7 eV and being an earth-abundant material, ZnSe QDs are interesting for light-emitting devices, blue-green lasers, photocatalysis, and fluorescence probes. In contrast to other studies, our approach is based on a one-pot heat-up synthesis and uses less toxic and dangerous zinc precursors (e.g. zinc stearate). Knowing that thiol-based ligands can alter the formation process of ZnSe QDs, we investigated the influence of 1-dodecanethiol on the ZnSe MSC formation using absorption spectroscopy, TEM, XPS, and XRD. By variation of the thiol ligand concentration and reaction temperature, we were able to synthesize two new ZnSe MSC sizes, the largest so far, by using easy-to-handle precursors. T2 - NANOHYBRID - Hamburg Conference on Complex Nanostructures CY - Hamburg, Germany DA - 04.10.2022 KW - ZnSe KW - Magic-sized cluster KW - Nanoparticle KW - Synthesis KW - Nanomaterial PY - 2022 AN - OPUS4-56193 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maurer, G. A1 - Tuma, Dirk A1 - Chobanov, K. A1 - Kumełan, J. A1 - Pérez-Salado Kamps, Á. T1 - High-pressure gas solubility in mixtures with one compound being an „alternative“ solvent N2 - The term „Alternative Solvents“ often refers to ionic liquids (ILs), mainly to distinguish these substances from traditional (i.e., molecular) solvents. In applications, any „alternative“ is required to perform better than something that is proven and tested. To bring ILs into practical use, availability and costs are the fundamental points to be addressed. There are two ways to proceed: ▬ tailoring a molecule, implanting the expected characteristics advantage: optimization of the targeted performance possible risks: outcome not always foreseeable, costly and time-intensive (“trial and error“) ▬ to target on mixtures of well-characterized ILs with molecular solvents advantage: substance characteristics are known, less costly, less time-consuming, mixture composition another tunable parameter risks: the same but with less impact For the basic engineering of technical processes, knowledge of phase equilibria, particularly of mixtures, over a broad (p,T) range is mandatory. This contribution reports on recent experimental results from our laboratory: ▬ the solubility of CO2 in a mixture of water and [bmim][CH3SO4] ▬ the solubility of CO2 in a mixture of methanol and [bmim][PF6] T2 - EUCHEM 2014 5th Conference on Molten Salts and Ionic Liquids CY - Tallinn, Estonia DA - 06.07.2014 KW - Ionic liquids KW - Gas solubility KW - Henry's constant PY - 2014 AN - OPUS4-35944 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin A1 - Zutta Villate, J. M. T1 - Combined cell and nanoparticle models for TOPAS to study radiation dose enhancement by Monte-Carlo based particle scattering Simulations N2 - Dose enhancement by gold nanoparticles (AuNP) increases the biological effectiveness of radiation damage in biomolecules and tissue. To apply them effectively during cancer therapy their influence on the locally delivered dose has to be determined.[1] Hereby, the AuNP locations strongly influence the energy deposit in the nucleus, mitochondria, membrane and the cytosol of the targeted cells. To estimate these effects, particle scattering simulations are applied. In general, different approaches for modeling the AuNP and their distribution within the cell are possible. In this work, two newly developed continuous and discrete-geometric models for simulations of AuNP in cells are presented. [2] These models are applicable to simulations of internal emitters and external radiation sources. Most of the current studies on AuNP focus on external beam therapy. In contrast, we apply the presented models in Monte-Carlo particle scattering simulations to characterize the energy deposit in cell organelles by radioactive 198AuNP. They emit beta and gamma rays and are therefore considered for applications with solid tumors. Differences in local dose enhancement between randomly distributed and nucleus targeted nanoparticles are compared. Hereby nucleus targeted nanoparticels showed a strong local dose enhancement in the radio sensitive nucleus. These results are the foundation for ongoing experimental work which aims to obtain a mechanistic understanding of cell death induced by radioactive 198Au. T2 - NALS 2022 CY - Santander, Spain DA - 27.04.2022 KW - AuNP KW - Beta decay KW - beta particle KW - Brachytherapy KW - Cancer treatment KW - Clustered nanoparticles KW - DNA KW - DNA damage KW - Dosimetry KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - Gold Nanoparticles KW - LEE KW - Livermore model KW - Low energy electrons KW - MCS KW - Microdosimetry KW - Monte-Carlo simulation KW - NP KW - OH radical KW - particle scattering KW - Penelope model KW - Radiation damage KW - Radiation therapy KW - Radiationtherapy KW - Radioactive decay KW - Radiolysis KW - Simulation KW - TOPAS KW - TOPAS-nbio PY - 2022 AN - OPUS4-54775 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute A1 - Giovannozzi, A. A1 - Rossi, A. A1 - Kovac, J. A1 - Ekar, J. A1 - Goenaga-Infante, H. A1 - Clarkson, C. A1 - Clifford, C. A1 - Cant, D. A1 - Minelli, C. A1 - Reithofer, M. A1 - Lindner, G. A1 - Venzago, C. A1 - Bohmer, N. A1 - Drexler, C.-P. A1 - Schedler, U. A1 - Thiele, T. A1 - Lechart, F. A1 - Kästner, B. A1 - Sjövall, P. A1 - Johnston, L. A1 - Tan, Gunnar A1 - Radnik, Jörg T1 - Standardised Measurements of Surface Functionalities on Nanoparticles N2 - Engineered nanoparticles (NPs) with various chemical compositions and surface functionalities are routinely fabricated for industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, opto-electronics, and information storage which improve the quality of life and European prosperity. NP function, performance, interaction with biological species, and environmental fate are largely determined by their surface functionalities. Standardized repeatable surface characterization methods are therefore vital for quality control of NPs, and to meet increasing concerns regarding their safety. Therefore, industry, regulatory agencies, and policymakers need validated traceable measurement methods and reference materials. This calls for fit-for-purpose, validated, and standardized methods, and reference data and materials on the surface chemistry of engineered NPs. Here, we present a concept for the development of such standardized measurement protocols utilizing method cross-validation and interlaboratory comparisons (ILCs) with emphasis on both advanced measurement methods such as quantitative Nuclear Magnetic Resonance (qNMR), X-ray photoelectron spectroscopy (XPS) and secondary ion mass spectrometry (SIMS) and cost-efficient, non-surface specific methods like optical assays and electrochemical titration methods. T2 - European Partnership on Metrology 2023 Review Conference CY - Amsterdam, Netherlands DA - 07.11.2023 KW - Surface chemistry KW - Quality assurance KW - Traceability PY - 2023 AN - OPUS4-59142 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Carstensen, Niels A1 - Schirdewahn, S. A1 - Merklein, M. A1 - Hilgenberg, Kai T1 - Generation of Tribosystems by Additive Surface Treatment on Tool Steel Substrate N2 - Laser implantation aims at reducing friction and wear on highly stressed surfaces in forming processes. Especially the hot stamping process that is used as a resource efficient process for manufacturing geometrical complex and high-strength structures, exhibits severe wear and high friction during the forming operation. The laser implantation process addresses this problem by combining two different approaches (surface modification and surface structuring) in surface technology by creating elevated, highly wear-resistant micro-features to influence the tribological performance. Pure TiB2 implants have shown to reduce tool-sided wear significally and improve the part formability by reducing local necking in deep drawing tests. Within the scope of this work, TiB2-TiC and TiB2-TaC hard material mixtures are implanted on X38CrMoV5-3 hot work tool steel. The aim is to investigate how the implant material properties can be influenced by the application of different mixing ratios of hard material mixtures under the specific variation of the process parameters. Distinct implant formations are tested on a novel test apparatus to examine the influence on the tribological properties. From the analyses of the implant properties by hardness measurements, light microscopic images, EDX and XRD analyses process parameter ranges are identified to produce defect-free dome- and ring-shaped implants. The specific process parameters (pulse power, pulse duration, mixing ratio and coating thickness) can be used for the determination of the implant geometry (height, width and depth). The tribological tests exhibit improved friction and wear properties. Based on these results, a tribosystem manufactured by this additive surface treatment technology shows great potential to enhance the effectiveness of the hot stamping process. T2 - Friction 2021 CY - Sankt Augustin, Germany DA - 18.11.2021 KW - Laser implantation KW - Surface modification KW - Additive surface treatment KW - Hot stamping KW - Tool steel PY - 2021 AN - OPUS4-53809 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Merz, Benjamin A1 - Mohr, Gunther A1 - Hilgenberg, Kai T1 - Position Detection for Hybrid Repair of gas turbine blades using PBF-LB/M N2 - This poster presents a workflow for camera-based position detection of components within PBF-LB/M machines. This enables a hybrid repair process of highly stressed components such as gas turbine blades using PBF-LB/M. T2 - Kuratoriumsführung CY - Berlin, Germany DA - 21.06.2022 KW - Additive Manufacturing KW - PBF-LB/M KW - Position detection KW - Camera KW - Image processing PY - 2022 AN - OPUS4-56587 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schirdewahn, S. A1 - Spranger, Felix A1 - Hilgenberg, Kai A1 - Merklein, M. T1 - Tribological performance of localized dispersed X38CrMoV5-3 surfaces for hot stamping of Al-Si coated 22MnB5 sheets N2 - Over the last years, the weight of modern car bodies has risen significantly due to the increasing customers’ demand for comfort and safety equipment. However, this ongoing trend leads to an increasing fuel consumption and thus to higher carbon dioxide emissions. In order to counteract these problems, hot stamping has been established in the automotive industry as a key technology for lightweight construction, regarding the manufacturing of safety-relevant car body components. Hot stamped parts are commonly made out of boron-manganese steel 22MnB5, which is initially austenized and subsequently formed and quenched in one process step. As a result, geometrical complex structures with an ultimate tensile strength of 1500 MPa are generated. The surfaces of the workpieces are coated with an Al-Si layer to avoid oxide scale formation and to ensure corro-sion protection. However, the coating system leads to an increased adhesive wear on the tool sur-face due to the high thermo-mechanical tool stresses. Therefore, a time and cost consuming rework of the hot stamping tools is required. The aim of this study is to increase the tribological perfor-mance of hot stamping tools by using a laser implantation process. This technique allows the ma-nufacturing of separated, elevated and dome-shaped microstructures on the tool surface in conse-quence of a localized dispersing of hard ceramic particles by pulsed laser radiation. The generated surface features offer great potential for reducing the tribological load, due to their high hardness and wear resistance. For this purpose, the friction coefficient of unmodified and laser implanted tool surfaces were examined and compared by using a modified pin-on-disk test. In addition, the surfaces were analyzed by optical measurements in order to quantify the amount of wear. T2 - 7th International Conference on Hot Sheet Metal Forming of High-Performance Steel CHS2-2019 CY - Lulea, Sweden DA - 02.06.2019 KW - Laser implantation KW - Surface texturing KW - Hot stamping PY - 2019 AN - OPUS4-48323 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -