TY - CONF A1 - Erdmann, Maren T1 - Effect of surface degradation on high-density polyethylene for biofilm formation N2 - Renewable resources become more and more relevant to maintain energy demands for an increasing global population. Biosynthetic fuels like biodiesel might replace conventional petrochemical fuels. In this study the influence of microbial growth on biodiesel and diesel on the storage tank systems were investigated. Polymeric fuel storage tanks for diesel and biodiesel provide suitable environmental conditions for a broad spectrum of fungi and various bacteria, including cyanobacteria and aerobic heterotrophic, and even anaerobic, fermentative Bacteria. However, the questions whether and how ageing of the materials is affected by biofouling processes have not been answered so far. Therefore, a model system for biofilm formation was established to study the initial attachment phase of bacteria in dependency of ageing, quality and surface modification of thermoplastic polymers used for storage tank systems. The microbial survey is closely connected with a detailed characterization of the material’s properties and its ageing processes. A widely applied plastic used for fuel storage tanks is high-density polyethylene (PE-HD), which is available with various additives to increase UV-light stability and even for the storage of biodiesel. These materials were aged under UV-light and temperature using a defined climate chamber set-up. Further, the repeated filling of fuels was mimicked for such storage tanks, as this has an important impact on the life-cycle length for the storage Container. The aged polymers showed a significant change in the material’s characteristics, including surface characteristics (e.g. hydrophobicity) and carbonyl groups. The effect of the changed material properties on the biofilm formation are studied using bacterial isolates, previously obtained from a “dieselpest”, and as a model-reference E. coli. The unaged polymers showed already some significant differences for the initial attachment of E. coli K12. Polyethylene with additives was colonized faster than the reference material (without additives) although the final biofilm coverage was not impaired. Likewise, the settlement of a kerosene-isolated Bacillus species on the unaged materials independently of additives was only minor interfered. In future, our results should give stakeholders in industry and public authorities a better estimation of the life-cycle security for fuel storage tank systems and on the fuel quality. Further, our results could help to test and develop new materials or additives to prevent biofouling processes. T2 - VAAM Jahrestagung CY - Würzburg, Germany DA - 05.03.2017 KW - PE-HD KW - Biofilm KW - MIC KW - Degradation PY - 2017 AN - OPUS4-39457 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Konnertz, Nora T1 - Enhanced gas separation performance of nanocomposites based on a polymer with intrinsic microporosity PIM-1 and phenethyl-POSS N2 - In times of the energy revolution, the need for energy efficient separation processes promotes the advancement of new high performance materials for use as highly selective separation membranes. Most promising materials in this field, especially for gas separation, are polymers with intrinsic microporosity (PIMs) which were firstly introduced by Budd and McKeown. In this study the permeability of PIM-1 was increased by 439 % by formation of nanocomposites with only 1 wt% of polyhedral oligomeric phenethyl-silsesquioxane (PhE-POSS) within the polymer matrix. As the CO2/CH4 selectivity is fully retained, this leads to a shift in the Robeson plot towards the upper bound. The Robeson plot describes the current state of the art trade-off relation between selectivity and permeability of all known membrane polymers. As molecular mobility is a key factor for gas transport as well as the often observed physical aging of such polymers, our study also includes for the first time, molecular dynamics and conductivity of pure PIM-1 and PIM-1 nanocomposites as investigated by broadband dielectric spectroscopy (BDS). T2 - Polydays 2016 CY - Potsdam, Germany DA - 28.09.2016 KW - PIM-1 KW - POSS KW - Broadband dielectric spectroscopy KW - Permeation PY - 2016 AN - OPUS4-37701 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Grandel, Jonas T1 - Fine-tuning universal interatomic potentials for phonon properties without catastrophic forgetting N2 - Accurate phonon predictions are essential for evaluating material stability and thermal behavior. Traditional DFT-based methods are computationally intensive, driving interest in faster, machine-learning-based alternatives. In this work, we fine-tune the machine learning interatomic potential MACE-MP-0b3 (https://arxiv.org/abs/2401.00096) to improve the prediction of harmonic phonons and thermal properties. A key challenge is the need for highly accurate force calculations. While fine-tuning can enhance phonon accuracy, it may reduce generalizability to other properties. Despite this, our study shows that fine-tuned models can accurately predict phonon properties (including renormalization of imaginary phonons) at the same time as volume-dependent properties like the bulk modulus. We fine-tune the base model using small sets of rattled structures and introduce a novel fine-tuning method, benchmarking it against existing techniques. These results suggest that refined MACE-based universal potentials are a promising path for efficient and accurate phonon modeling. All implementations are included in the equitrain training code (https://github.com/BAMeScience/equitrain). T2 - Psi-k Konferenz CY - Lausanne, France DA - 25.08.2025 KW - Machine Learning KW - MACE KW - Phonon KW - Thermal properites PY - 2025 AN - OPUS4-64010 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Walterbos, Luc T1 - Double trouble: exploring the chemical landscape of halide double perovskites N2 - Halide Double Perovskites (HDPs) are an emerging class of materials with chemical formula A2BB’X6 with possible applications in photovoltaics, X-ray detection, sensing, photocatalysis and spintronics.. However, with more than 40,000 potential HDP compositions, much of the chemical landscape remains unexplored. We have generated a database of spin-polarized, hybrid functional (HSE06) electronic structure data of all HPDs with A=Cs that are predicted to be stable based on a tolerance-factor analysis. Our high-throughput workflow also consists or a chemical bonding and orbital projection analysis based on LOBSTER (ww.cohp.de), leading to a comprehensivedatabase of electronic, magnetic and chemical bonding properties of >2700 HDP compositions, which can serve as a starting point for material design and discovery via interpretable machine learning techniques, which we use to identify unexpected trends and relations in the chemical landscape. T2 - Psi-k 2025 CY - Lausanne, Swiss DA - 25.08.2025 KW - Materials design KW - Halide perovskite KW - Halide double perovskite KW - High-throughput KW - Hybrid functional PY - 2025 AN - OPUS4-64009 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rhode, Michael T1 - Component-test for determination of welding residual stresses and their effect on stress relief cracking in thick-walled welds N2 - Controlling the residual stress level during welding of creep-resistant Cr-Mo-V steels is crucial to avoid so called stress relief cracking (SRC) during post weld heat treatment (PWHT) of large-scale components. In the present study, a laboratory scale test specimen (slotted sample with 400 mm width, 400 mm length and 25 mm thickness) was used to simulate thick-walled component welds made of 13CrMoV9-10. The aim was to identify the level and distribution of residual stresses to evaluate the suitability of the specimen for laboratory based SRC testing. High restraint was ensured by the specimen geometry with a narrow welding gap in the center. This gap was filled by multi-layer submerged arc welding. Two specimens were welded with identical parameters and compared in the as-welded state and after PWHT (705 °C for 10 h). Neutron diffraction was used to determine the residual stresses in the weld metal, the heat-affected zone (HAZ) and the base material at different depths longitudinal, transverse, and normal to the welding direction. The experiments were performed on the former instrument E3 of the research reactor BER II of Helmholtz-Zentrum Berlin (HZB), Germany. Complementarily, laboratory X-ray diffraction was applied to characterize the surface residual stresses. In the welded condition, especially in the weld metal and the adjacent HAZ, the longitudinal residual stresses reached values of up to 1,000 MPa to 1,200 MPa due to the increasing strength and hardness of the CrMoV-material during welding. The conducted welding experiments revealed that way higher residual stresses in the welded joint have to anticipated before the PWHT is performed than it was expected in advance. This demonstrated the necessity of suitable component-like welding tests as they must ensure realistic mechanical stiffness (hindered shrinkage of welding joint by slotted self-restraint sample) and heat dissipation conditions (definition of minimum welding joint thickness vs. welding process-specific heat input). T2 - FEMS Euromat 2025 - 18th European Congress and Exhibition on Advanced Materials and Processes CY - Granada, Spain DA - 15.09.2025 KW - Component test KW - Submerged arc welding KW - Post weld heat treatment KW - Residual stresses KW - Neutron diffraction PY - 2025 AN - OPUS4-64161 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ryll, Tom William T1 - In-situ analysis of nucleation processes – case study: calciumsulfate N2 - In this project we investigate nucleation pathways by utilizing synchrotron-XRD and running a case-study on calcium sulfate and its polymorphs. To accomplish this, we developed a modular automation setup for reactions in solution to run synthesis and control reaction conditions. So far we successfully characterized the recycling process of gypsum (CaSO4*2H2O) and are now investigating the formation of anhydrite (CaSO4*0H2O) as well as possible applications for the automation setup and analysis. T2 - SALSA Make & Measure 2025 CY - Berlin, Germany DA - 10.09.2025 KW - Recycling KW - Gypsum KW - Synchrotron-X-ray-diffraction KW - Raman-spectroscopy KW - Automation PY - 2025 AN - OPUS4-64135 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Melzer, Michael T1 - The temperature DCC exposed N2 - The DAkkS-accredited calibration laboratory of the German Federal Institute for Materials Research and Testing (BAM) has established valid XML digital calibration certificates (DCCs) for calibrations of resistance thermometers within the scope of its accreditation. Hence, all necessary information according to ISO/IEC 17025 and the DKD-R 5-1 calibration rule is provided in a machine-readable and machine-interpretable form. Furthermore, we actively participate in the definition of general and community-specific good practice requirements for the DCC of temperature quantities as technical specifications, hosted by the German Calibration Service (DKD). In this contribution the entire XML source code of a DCC from a Pt 100 thermometer calibration will be exposed and discussed. The DCC was automatically generated using a self-implemented middleware that is compiling the metadata (i.e. customer-, order-, item- and method data) and combines it with the measured calibration data and influence conditions into a process- and lab-specific DCC template. Since it was issued as an accredited calibration certificate, the validated and authorized DCC is also equipped with the novel digital accreditation symbol to form an `eAttestation´. This advanced electronic seal with a qualified certificate was recently piloted with the German national accreditation body (DAkkS), and, after successful validation by the receiver, verifies the active accreditation status of the issuing body at the time of sealing (authorization). As it also provides all other functionalities of an electronic seal, (i.e. data integrity and authenticity), it can fully replace a digital signature on accredited DCCs. The presented temperature DCC architecture fully complies to the latest good practice definitions of the DKD and thus represents a level 4 DCC according to the utility model for machine interpretability of DCCs. This also includes basic and quantity-specific refType definitions that are linked to an online refType repository to harmonize these key semantic providing elements across other DCC-issuing laboratories. The paper and also its conference poster will not represent a general introduction and motivation for the DCC itself. It rather addresses more detailed aspects of good practice, especially for DCCs from temperature quantity calibrations and may stimulate in-depth discussions between DCC experts from the providing, utilizing and accrediting points of view. The work was performed within the national QI-Digital initiative of the German Federal Ministry for Economic Affairs and Climate Action, T2 - Global Industrie CY - Lyon, France DA - 11.03.2025 KW - Calibration KW - Digital Calibration Certificate KW - E-Attestation KW - Digital Metrology KW - QI-Digital PY - 2024 AN - OPUS4-64177 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Reinsch, Stefan T1 - Robot-assisted compositional screening in the System Na2O-Al2O3-B2O3-SiO2 N2 - The system Na2OB2O3SiO2 (NBS) is the basis of many industrial glass applications and therefore one of the most studied systems at all. Glass formation is possible over a wide compositional range, but the system also contains ranges of pronounced phase separation and crystallization tendency. Even small addition of Al2O3can change this behavior essentially. As the Na2OAl2O3B2O3SiO2 (NABS) system is also known as the basis for glasses in strength-relevant applications, the behavior during the transition from the NBS system to the NABS system is of interest. Therefore, some small step melt series in these systems were studied using the robotic glass melting system at the Federal Institute for Materials Research and Testing (BAM, Division Glasses). For these series the small step changes of glass transition temperature, crystallization behavior as well as glass density were studied. Additionally, experimental data were compared with their modeled counterparts. T2 - 98. Glastechnische Tagung CY - Goslar, Germany DA - 26.05.2025 KW - Sodium alumino boro silicate glasses KW - Glass transition temperature KW - Density KW - Robotic melting PY - 2025 AN - OPUS4-64076 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Evans, Alexander T1 - AGIL Project - Microstructure development in additively manufactured metallic components: from powder to mechanical failure N2 - Overview of the concept of the AGIL Project, work packages and Prior published work from BAM on the subject T2 - Challenges in Additive Manufacturing: Innovative Materials and Quality Control CY - BAM, Berlin-Adlershof, Germany DA - 12.09.2018 KW - AGIL KW - Additive manufacturing PY - 2018 AN - OPUS4-46100 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schmidt, Jonathan T1 - Near-real-time in-situ powder bed anomaly detection using machine learning algorithms for high-resolution image analysis in PBF-LB/M N2 - In-situ captured visual images of the laser powder bed fusion process (PBF-LB/M) provide valuable insights into process dynamics. Automatic analysis of after-recoating images using machine learning algorithms enables the detection of process deviations to reduce scrap production. However, current industrial monitoring systems for PBF-LB/M are limited by low image resolution. While higher resolutions enable the system’s ability to capture smaller features, they increase storage and computational demand. Edge devices offer a solution by enabling near-real-time, on-premises image analysis within the machine and company network. In this study, high-resolution after-recoating images, captured with a spatial resolution of 17 µm/pixel and an image size of 9344 x 7000 pixels, were processed on an Nvidia Jetson Orin NX16 edge device. The images were downscaled, and anomaly detection algorithms were used to identify regions of interest for segmentation and classification at full resolution. To address computational constraints, state-of-the-art anomaly detection algorithms were evaluated and an appropriate downscaling factor for the on-edge implementation was determined. The EfficientAD algorithm achieved promising results, detecting anomalies within an inference time of less than 10 seconds. The presented framework enables anomaly detection with a maximum delay of one layer. This lays the foundation for the future development of near-real-time intervention in the PBF-LB/M process. T2 - ISAM 2025 – 6th International Symposium on Additive Manufacturing CY - Dresden, Germany DA - 21.05.2025 KW - Additive manufacturing KW - Image processing KW - In-situ monitoring KW - Powder bed fusion PY - 2025 AN - OPUS4-63231 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -