TY - CONF A1 - Welter, T. T1 - Glass structures with low H2-diffusity N2 - Effective hydrogen storage capacities are prerequisite for an efficient energy provision using fuel cells. Since glass has low intrinsic hydrogen permeability, it is a promising material for hydrogen storage containers as well as hydrogen diffusion barriers. Previous studies on oxidic glasses suggest a correlation between the glass composition and hydrogen permeation that was derived mainly from silica glass. In the present study, we concentrate on the relationship between thermodynamic (i.e., configurational entropy) and topologic (i.e., free volume, network polymerization) parameters. Experimental data were gathered well below the glass transition temperature, excluding significant effects caused by structural relaxation and chemical dissolution of hydrogen. The results of seven analysed glasses on the SiO2-NaAlO2 joint showed that the hydrogen permeability in fully polymerized glasses cannot solely be derived from the total free volume of the glass structure. Hence, evidence is provided that the size distribution of free volume contributes to hydrogen solubility and diffusion. Additionally, the results indicate that the configurational heat capacity ΔCp at Tg affects the hydrogen permeability of the investigated glasses. T2 - 92. Glastechnische Tagung der DGG CY - Bayreuth, Germany DA - 28.05.2018 KW - Hydrogen permeability KW - Atomic packing factor KW - Glass composition KW - Diffusion coefficient PY - 2018 AN - OPUS4-45900 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Waurischk, Tina T1 - Internal friction and energy dissipation during crack propagation in silicate glasses N2 - To obtain a deeper insight into the nature of energy dissipation during crack propagation, the internal friction of 13 borosilicate, aluminosilicate, soda-lime, and lead-containing glasses, for which inert crack growth data are available in the literature, was measured using dynamic mechanical thermal analysis. For asymmetrically bent glass beams, the loss tangent tanδ was determined between 0.2 and 50 Hz at temperatures between 273 K and the glass transition temperature Tg. It was found that the area under the tanδ vs. T/Tg curve correlates with the crack growth exponent, n, in the empirical v ~ KIn relation between crack growth velocity, v, and stress intensity, KI. This correlation was most distinct for T/Tg < 0.3, still clear for T/Tg < 0.5, but not found for T/Tg > 0.8. The observed results indicate that n correlates with the degree of energy dissipation of relaxation phenomena below Tg. T2 - 27th International Congress on Glass 2025 CY - Kolkata, India DA - 20.01.2025 KW - Internal friction KW - Energy dissipation KW - Crack propagation KW - Silicate glasses PY - 2025 AN - OPUS4-63819 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Booth, A. T1 - Production of a 1-10 μm polypropylene reference material for development of analytical methods N2 - The poster is about the preparation of microplastics in the size range of 1-10 µm. These size range of particles can be inhalded and therefore be toxic for humans. The preparation is done by comminution of PP pellets and sieving. Characterisation occured for size with laser diffraction, for type with FTIR and for shape with SEM. T2 - SETAC Europe 2025 CY - Vienna, Austria DA - 11.05.2025 KW - Microplastics KW - Reference materials PY - 2025 AN - OPUS4-63367 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Moss, Caitlin T1 - Framework Materials for the Electrocatalytic Reduction of Nitrate to Ammonia N2 - The electrocatalytic reduction of nitrate to ammonia offers a sustainable alternative to the energy-intensive Haber-Bosch process while simultaneously addressing the pressing issue of nitrate pollution in water sources. Developing efficient catalysts for this reaction is therefore vital for both environmental remediation and green ammonia production. Framework materials such as metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and coordination polymers present an emerging class of electrocatalytic materials due to their high surface area, tunable porosity, and structural modularity. Their ability to incorporate diverse metal centers and functional groups makes them promising candidates for selective and efficient nitrate reduction. In order to change and improve catalytic properties, different synthesis strategies can be pursued, such as metal alloying or calcination under different conditions. To fully understand and optimize these materials, advanced characterization techniques are essential to correlate structural features with catalytic performance, alongside in-situ methods for real-time mechanistic insights. T2 - Tag der Chemie 2025 CY - Berlin, Germany DA - 03.07.2025 KW - Electrocatalysis KW - Electrochemisty KW - Framework Materials KW - Ammonia Synthesis KW - Nitrate Reduction PY - 2025 AN - OPUS4-63815 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tielemann, Christopher T1 - First hints on reorientation of surface crystals N2 - Up to now, the mechanisms of surface nucleation and surface-induced texture formation are far from being understood. Very few observations of crystal orientation were focused on separately growing surface crystals. In conclusion, no systematic studies on initially oriented crystal growth or nucleation from defined active surface nucleation sites exists. Therefore, the main objective of this just is to advance the basic understanding of the mechanisms of surface-induced microstructure formation in glass ceramics. As a first attempt, we focus on reorientation of separately growing surface crystals during their early growth. T2 - 92nd Annual Meeting of the German Society of Glass Technology in Conjunction with the Annual Meetings of the Czech Glass Society & the Slovak Glass Society CY - Bayreuth, Germany DA - 28. Mai 2018 KW - Glass KW - Crystallization KW - BCS PY - 2018 AN - OPUS4-47536 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - 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 -