TY - JOUR A1 - Zaghdoudi, Maha A1 - Kömmling, Anja A1 - Jaunich, Matthias A1 - Wolff, Dietmar T1 - Oxidative ageing of elastomers: Experiment and modelling N2 - During an extensive test programme at the Bundesanstalt für Materialforschung und prüfung, material property changes of EPDM O-rings were investigated at different ageing times and two ageing temperatures of 125∘C and 150∘C. To exclude possible diffusion-limited oxidation (DLO) effects that can distort the data, IRHD microhardness measurements were taken over the cross section of compressed O-rings. Continuous stress relaxation measurements were taken on samples free of DLO effects. The additional effect of physical processes to irreversible chemical ones during a long-term thermal exposure is quantified by the analysis of compression set measurements under various test conditions. By combining the different experimental methods, characteristic times relative to the degradation processes were determined. On the basis of experimental data, a microphysically motivated model that takes into account reversible and irreversible processes was developed. The parameter identification strategy of the material model is based on our experimental investigations on homogeneously aged elastomer O-rings. The simulated results are in good agreement with the experiments. KW - Compression stress relaxation KW - Compression set KW - IRHD microhardness KW - Modelling PY - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-545910 SN - 1432-0959 SP - 1 EP - 9 PB - Springer CY - Berlin AN - OPUS4-54591 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bonse, Jörn A1 - Gräf, S. T1 - Ten Open Questions about Laser-Induced Periodic Surface Structures N2 - Laser-induced periodic surface structures (LIPSS) are a simple and robust route for the nanostructuring of solids that can create various surface functionalities featuring applications in optics, medicine, tribology, energy technologies, etc. While the current laser technologies already allow surface processing rates at the level of m2/min, industrial applications of LIPSS are sometimes hampered by the complex interplay between the nanoscale surface topography and the specific surface chemistry, as well as by limitations in controlling the processing of LIPSS and in the long-term stability of the created surface functions. This Perspective article aims to identify some open questions about LIPSS, discusses the pending technological limitations, and sketches the current state of theoretical modelling. Hereby, we intend to stimulate further research and developments in the field of LIPSS for overcoming these limitations and for supporting the transfer of the LIPSS technology into industry. KW - Laser-induced periodic surface structures (LIPSS) KW - Industrial application KW - Functional properties KW - Surface functionalization KW - Modelling PY - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-539503 SN - 2079-4991 VL - 11 IS - 12 SP - 1 EP - 21 PB - MDPI CY - Basel, Switzerland AN - OPUS4-53950 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Witte, F. A1 - Rietsch, P. A1 - Nirmalananthan-Budau, Nithiya A1 - Weigert, Florian A1 - Götze, J. P. A1 - Resch-Genger, Ute A1 - Eigler, S. A1 - Paulus, B. T1 - Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores N2 - The concept of aggregation-induced emission represents a means to rationalise photoluminescence of usually nonfluorescent excimers in solid-state materials. In this publication, we study the photophysical properties of selected diaminodicyanoquinone (DADQ) derivatives in the solid state using a combined approach of experiment and theory. DADQs are a class of high-dipole organic chromophores promising for applications in non-linear optics and light-harvesting devices. Among the compounds investigated, we find both aggregation-induced emission and aggregation-caused quenching effects rationalised by calculated energy transfer rates. Analysis of fluorescence spectra and lifetime measurements provide the interesting result that (at least) two emissive species seem to contribute to the photophysical properties of DADQs. The main emission peak is notably broadened in the long-wavelength limit and exhibits a blue-shifted shoulder. We employ high-level quantum-chemical methods to validate a molecular approach to a solid-state problem and show that the complex emission features of DADQs can be attributed to a combination of H-type aggregates, monomers, and crystal structure defects. KW - Fluorescence KW - Optical probe KW - Dye KW - Photophysics KW - Theory KW - Quantum yield KW - Mechanism KW - Quantum chemistry KW - Modelling KW - Aggregation KW - Lifetime KW - Single particle KW - Microscopy KW - Solid KW - Crystal PY - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-531138 SP - 1 EP - 9 PB - Royal Society of Chemistry AN - OPUS4-53113 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zaghdoudi, Maha A1 - Kömmling, Anja A1 - Jaunich, Matthias A1 - Wolff, Dietmar T1 - Oxidative ageing of elastomers: experiment and modelling N2 - During an extensive test programme at the Bundesanstalt für Materialforschung und prüfung, material property changes of EPDM O-rings were investigated at different ageing times and an ageing temperature of 125 °C. To exclude possible diffusion limited oxidation (DLO) effects that can distort the data, IRHD micro hardness measurements were performed over the cross-section of compressed O-rings. Continuous stress relaxation measurements were conducted on samples free of DLO effects. The additional effect of physical processes to irreversible chemical ones during a long-term thermal exposure is quantified by the analysis of compression set measurements under various test conditions. By combining the different experimental methods, characteristic times relative to the degradation processes were determined. On the basis of experimental data, a microphysically motivated model that takes into account reversible and irreversible processes was developed. The parameter identification strategy of the material model is based on our experimental investigations on homogeneously aged elastomer O-rings. The simulated results are in good agreement with the experiments. T2 - ACEX-14th International Conference on Advanced Computational Engineering and Experimenting CY - Malta DA - 04.07.2021 KW - Compression stress relaxation KW - Compression set KW - IRHD micro hardness KW - Modelling PY - 2021 AN - OPUS4-52968 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zaghdoudi, Maha A1 - Jaunich, Matthias A1 - Kömmling, Anja A1 - Wolff, Dietmar T1 - How to test the Arrhenius validity of elastomers during ageing N2 - The main task of the division "Safety of Storage Containers" at BAM is the safety assessment of storage containers for radioactive waste. A sufficient sealing of bolted lid systems for the safe containment of the waste for transport, storage and disposal is very important. Extensive knowledge of the change of the elastomer’s properties during ageing and the availability of reliable end-of-lifetime criteria is mandatory to guarantee long term safe enclosure. In a long-term test programme over 5 years we have studied the degradation and the change of sealing properties of several elastomers, including EPDM, at four different ageing temperatures (75 °C, 100 °C, 125 °C and 150 °C). Compression stress relaxation (CSR) and compression set (CS) experiments were carried out. It has been found that when the data does not cover a sufficient time frame necessary for the evolution of the degradation of a chosen property, a curvature in the Arrhenius relationship is observed. For CSR, the curvature was observed for samples aged up to 186 days. As for CS experiments, the curvature was detected for sample aged up to 2 years. To cover the possible lack of experimental long-term data at low temperatures, a numerical model for CSR was developed and longer ageing times for the simulation were adopted. A degradation-rate based model for the evolution of degradative processes is proposed. The main advantage of the model is the possibility to quickly validate the interpolation at lower temperatures within the range of slower chemical processes without forcing an Arrhenius straight-line extrapolation. The model was also applied to CS experiments and validated by the 5 years experimental results where the curvature was gone, and the degradation property has followed an Arrhenius relationship. In the figure the contribution of the two degradative processes are shown over CS and CSR respectively. T2 - 2nd advanced material science world congress CY - Online meeting DA - 14.06.2021 KW - Arrhenius KW - Processes KW - Compression set KW - Compression stress relaxation KW - Modelling PY - 2021 AN - OPUS4-52825 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mezhov, Alexander A1 - Robens-Radermacher, Annika ED - Mezhov, Alexander ED - Robens-Radermacher, Annika ED - Zhang, Kun ED - Kühne, Hans-Carsten ED - Unger, Jörg F. ED - Schmidt, Wolfram T1 - Temperature Impact on the Structural Build-Up of Cementitious Materials - Experimental and Modelling Study N2 - With increasing focus on industrialized processing, investigating, understanding, and modelling the structural build-up of cementitious materials becomes more important. The structural build-up governs the key property of fresh printable materials -- buildability -- and it influences the mechanical properties after the deposition. The structural build-up rate can be adjusted by optimization of the mixture composition and the use of concrete admixtures. Additionally, it is known, that the environmental conditions, i.e. humidity and temperature have a significant impact on the kinetic of cement hydration and the resulting hardened properties, such as shrinkage, cracking resistance etc. In this study, small amplitude oscillatory shear (SAOS) tests are applied to examine the structural build-up rate of cement paste subject to different temperatures under controlled humidity. The results indicate significant influences of the ambient temperature on the intensity of the re-flocculation (Rthix) rate, while the structuration rate (Athix) is almost not affected. A bi-linear thixotropy model extended by temperature dependent parameters coupled with a linear viscoelastic material model is proposed to simulate the mechanical behaviour considering the structural build-up during the SAOS test T2 - Third RILEM International Conference on Concrete and Digital Fabrication (Digital Concrete 2022) CY - Loughborough, UK DA - 27.06.2022 KW - Structural build-up KW - Rheological properties KW - Modelling PY - 2022 SN - 978-3-031-06116-5 U6 - https://doi.org/10.1007/978-3-031-06116-5_49 VL - 37 SP - 330 EP - 336 PB - Springer International Publishing CY - Cham AN - OPUS4-55580 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mezhov, Alexander A1 - Robens-Radermacher, Annika A1 - Zhang, Kun A1 - Kühne, Hans-Carsten A1 - Unger, Jörg F. A1 - Schmidt, Wolfram T1 - Temperature Impact on the Structural Build-Up of Cementitious Materials - Experimental and Modelling Study N2 - With increasing focus on industrialized processing, investigating, understanding, and modelling the structural build-up of cementitious materials becomes more important. The structural build-up governs the key property of fresh printable materials -- buildability -- and it influences the mechanical properties after the deposition. The structural build-up rate can be adjusted by optimization of the mixture composition and the use of concrete admixtures. Additionally, it is known, that the environmental conditions, i.e. humidity and temperature have a significant impact on the kinetic of cement hydration and the resulting hardened properties, such as shrinkage, cracking resistance etc. In this study, small amplitude oscillatory shear (SAOS) tests are applied to examine the structural build-up rate of cement paste subject to different temperatures under controlled humidity. The results indicate significant influences of the ambient temperature on the intensity of the re-flocculation (Rthix) rate, while the structuration rate (Athix) is almost not affected. A bi-linear thixotropy model extended by temperature dependent parameters coupled with a linear viscoelastic material model is proposed to simulate the mechanical behaviour considering the structural build-up during the SAOS test. T2 - Third RILEM International Conference on Concrete and Digital Fabrication (Digital Concrete 2022) CY - Loughborough, UK DA - 27.06.2022 KW - Structural build-up KW - Rheological properties KW - Modelling PY - 2022 AN - OPUS4-55581 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Haith, M. I. A1 - Ewert, Uwe A1 - Hohendorf, Stefan A1 - Bellon, Carsten A1 - Deresch, Andreas A1 - Huthwaite, P. A1 - Lowe, M. J. S. A1 - Zscherpel, Uwe T1 - Modelling based radiography for NDE of subsea pipelines N2 - This work presents the use of limited experimental measurements to develop a set of calibrated Simulation parameters that can then be used for reliable simulation of subsea pipeline inspections. The modelling software aRTist is used as the simulation tool, and the calibration is through comparison with experimental images of a well characterised sample in a water tank. Image Quality parameters such as signal-to-noise ratio, contrast and basic spatial resolution are compared with the aim of matching simulated values to experimental results. Currently the model is partially calibrated, with signal-to-noise ratio successfully matched while differences are still found in contrast-to-noise ratio comparisons. This means that measurements depending on absolute intensity are not accurate enough in the simulation at this stage. However, the simulation is found to be accurate for wall thickness measurements in tangential images, which are not based on absolute intensity, with simulated and experimental cases producing similar results. T2 - 42nd Annual Review of Progress CY - Minneapolis, Minnesota, USA DA - 26.07.2015 KW - Modelling KW - Radiography KW - Pipeline inspection KW - Nondestructive evaluation PY - 2016 SN - 978-0-7354-1353-5 U6 - https://doi.org/10.1063/1.4940575 SN - 0094-243X VL - 1706 SP - 110004-1 EP - 110004-8 PB - AIP Publishing AN - OPUS4-37553 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Beck, Uwe A1 - Hertwig, Andreas A1 - Winkler, J. T1 - Standardization of ellipsometry N2 - The talk addresses the STANDARDIZATION OF ELLIPSOMETRY and the following points are discussed in more detail: historical background of ellipsometry, history of International Conferences on Ellipsometry, Workshops Ellipsometry in Germany and Europe, information on German/European Working Group Ellipsometry, technical/industrial importance of ellipsometry, applications on non-ideal material systems and standardization activities on ellipsometry. T2 - DIN NA Dünne Schichten für die Optik, Mainz CY - Mainz, Germany DA - 06.06.2018 KW - Standardization KW - Ellipsometry KW - Modelling KW - Accreditation PY - 2018 AN - OPUS4-45167 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Soares, J. X. A1 - Wegner, Karl David A1 - Ribeiro, D. S. M. A1 - Melo, A. A1 - Häusler, I. A1 - Santos, J. L. M. A1 - Resch-Genger, Ute T1 - Rationally designed synthesis of bright AgInS2/ZnS quantum dots with emission control N2 - In the blossoming field of Cd-free semiconductor quantum dots (QDs), ternary I–III–VI QDs have received increasing attention due to the ease of the environmentally friendly synthesis of high-quality materials in water, their high photoluminescence (PL) Quantum yields (QYs) in the red and near infrared (NIR) region, and their inherently low toxicity. Moreover, their oxygen-insensitive long PL lifetimes of up to several hundreds of nanoseconds close a gap for applications exploiting the compound-specific parameter PL lifetime. To overcome the lack of reproducible synthetic methodologies and to enable a design-based control of their PL properties, we assessed and modelled the synthesis of high-quality MPA-capped AgInS2/ZnS (AIS/ZnS) QDs. Systematically refined Parameters included reaction time, temperature, Ag:In ratio, S:In ratio, Zn:In ratio, MPA:In ratio, and pH using a design-of-experiment approach. Guidance for the optimization was provided by mathematical models developed for the application-relevant PL parameters, maximum PL wavelength, QY, and PL lifetime as well as the elemental composition in terms of Ag:In:Zn ratio. With these experimental data-based models, MPA:In and Ag:In ratios and pH values were identified as the most important synthesis parameters for PL Control and an insight into the connection of these parameters could be gained. Subsequently, the experimental conditions to synthetize QDs with tunable emission and high QY were predicted. The excellent agreement between the predicted and experimentally found PL features confirmed the reliability of our methodology for the rational design of high quality AIS/ZnS QDs with defined PL features. This approach can be straightforwardly extended to other ternary and quaternary QDs and to doped QDs. KW - Modelling KW - Nanoparticle KW - AIS KW - Semiconductor quantum dot KW - Design of experiment KW - Photoluminescence KW - Quantum yield KW - Surface chemistry KW - Synthesis KW - Lifetime PY - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-510075 VL - 13 IS - 9 SP - 2438 EP - 2450 PB - Springer AN - OPUS4-51007 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -