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Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines.
Die Technologie-Roadmap „Prozess-Sensoren 2027+“ ist eine Weiterentwicklung vorgängiger Technologie-Roadmaps. Im Zentrum dieser Roadmaps stehen Sensoren zur Erfassung von physikalischen und chemischen Messgrößen mittels spezifischer und unspezifischer Messverfahren, die zur Steuerung und dem besseren Verständnis von Prozessen dienen.
Die Roadmap fasst die gemeinsame Technologie- und Marktsicht von Anwendern, Herstellern und Forschungseinrichtungen im Bereich Prozess-Sensorik in der verfahrenstechnischen Industrie zusammen. Sie beschreibt die wesentlichen Trends im Bereich Prozess-Sensorik und künftige Handlungsbedarfe für Hersteller, Anwender sowie für Einrichtungen der Forschung und Lehre.
Für die aktuellen und zukünftigen Anforderungen an Prozess-Sensoren werden 19 Thesen formuliert. Die Thesen basieren auf den Thesen der vorangegangenen Roadmaps, wobei die aus heutiger Sicht erforderlichen Anpassungen, Ergänzungen und teilweise auch Streichungen vorgenommen wurden. Die Thesen sind in 5 Themencluster eingeordnet. Digitalisierung und Nachhaltigkeit sind übergreifende Kernthemen der künftigen Entwicklung.
The increasingly sophisticated nature of modern, more environmentally friendly cementitious binders requires a better understanding and control particularly of the complex, dynamic processes involved in the early phase of cement hydration. In-situ monitoring of properties of a constantly changing system over a defined period of time calls for simple, sensitive, fast, and preferably also non-invasive methods like optical spectroscopy
Towards the standardization of biochar analysis: the COST action TD1107 interlaboratory comparison
(2016)
Biochar produced by pyrolysis of organic residues is increasingly used for soil amendment and many other applications. However, analytical methods for its physical and chemical characterization are yet far from being specifically adapted, optimized, and standardized. Therefore, COST Action TD1107 conducted an interlaboratory comparison in which 22 laboratories from 12 countries analyzed three different types of biochar for 38 physical–chemical parameters (macro- and microelements, heavy metals, polycyclic aromatic hydrocarbons, pH, electrical conductivity, and specific surface area) with their preferential methods. The data were evaluated in detail using professional interlaboratory testing software. Whereas intralaboratory repeatability was generally good or at least acceptable, interlaboratory reproducibility was mostly not (20% < mean reproducibility standard deviation < 460%). This paper contributes to better comparability of biochar data published already and provides recommendations to improve and harmonize specific methods for biochar analysis in the future.
SCM potential in Africa
(2012)
Mobility particle size spectrometers (MPSS) belong to the essential instruments in aerosol science that determine the particle number size distribution (PNSD)in the submicrometer size range. Following calibration procedures and target uncertainties against standards and reference instruments are suggested for a complete MPSS quality assurance program: a) calibration of the CPC counting efficiency curve (within 5% for the plateau counting efficiency; within 1 nm for the 50% detection efficiency diameter), b) sizing calibration of the MPSS, using a certified polystyrene latex (PSL) particle size standard at 203 nm (within 3%), c) intercomparison of the PNSD of the MPSS (within 10% and 20% of the dN/dlogDP concentration for the particle size range 20 – 200 nm and 200 to 800 nm, respectively), and d) intercomparison of the integral PNC of the MPSS (within 10%). Furthermore, following measurement uncertainties have been investigated: a) PSL particle size standards in the range from 100-500nm match within 1% after sizing calibration at 203 nm. b) Bipolar diffusion chargers based on the radioactive nuclides Kr85, Am241 and Ni63 and a new ionizer based on corona discharge follow the recommended bipolar charge distribution, while soft X-ray-based charges may alter faster than expected. c) The use of a positive high voltage supply show a 10% better performance than a negative one. d) The intercomparison of the integral PNC of an MPSS against the total number concentration is still within the target uncertainty at an ambient pressure of approximately 500 hPa.
Non-conventional densely packed concrete mixtures are proposed and evaluated in this paper using engineered recycled mineral admixtures and recycled aggregates obtained from steel slag, quartz mining tailings, and quartzite mining tailings. High fines content sand-concretes containing coarser- and finer-than-cement recycled powders were designed to obtain blends with broader particle-size ranges and improved packing density. As a result, compressive strength up to 99 MPa, cement intensity up to 2.33 kg/m³/MPa, and consumption of recycled material up to 95 vol% were obtained. Compressive strengths up to 66 MPa and cement intensity up to 2.34 kg/m³/MPa were also obtained with the addition of coarse aggregates to such sand-concrete mixtures, with consumption of recycled material up to 96.5%. The results launch new insights on the role of recycled admixtures and aggregates on the mixture design of cement-based composites regarding efficiency improvement and technological performance.
In 2011, the Association of German Engineers (VDI) started working on a set of guidelines
towards increased resource efficiency. These guidelines represent a framework that defines resource efficiency and outlines considerations for the producing industry. A special guideline for SMEs is included as well as guidelines on methodologies for evaluating resource use
indicators, such as the cumulative raw material demand of products and production systems.
Resource efficiency, defined here as the relationship between a specific benefit or use and the natural resources that need to be spent or consumed to attain this benefit or use. It can be
evaluated by defining a function which expresses the specific benefit and quantifies the resource requirements through a set of indicators (use of raw materials, energy, water, land
and ecosystem services including sinks). The results from this also depend on the system boundary parameters and the allocation rules for by-products and waste treatment options. Optimising resource use is possible at all stages of a product’s or production system’s life cycle chain (raw material extraction, production and manufacturing, use and consumption, and the
end-of-life stage).
VDI guidelines are widely accepted across Germany’s industrial sector and therefore represent an important means of mainstreaming resource efficiency in this target area. As well as providing a methodological framework, the guidelines describe strategies and measures towards increasing resource efficiency, and they enable industrial producers and service providers to identify potential areas of improvement. The full article presents an overview of
the methodology and contents of these guidelines and discusses their impact in achieving absolute reductions in the industrial use of natural resources.
Imaging Capability of Terahertz and Millimeter-Wave Instrumentations for NDT of Polymer Materials
(2006)
Portland cement, as we know it today, has its origin in Great Britain approximately 170 years ago. Since then, concrete technology has spread out to Europe, the United States, and Japan, where it became a key component for rapid industrial development. Europe, the Unites States and many Asian countries today have developed a high level of technology regarding concrete construction.
However, each of them has a unique history and as a result, different “concrete philosophy” depending upon the social, environmental and financial boundary conditions, as well as their evolution throughout the years and local construction traditions. As a result, the word concrete may refer to rather different materials in America, Europe, and Asia.
Apart from South Africa, most sub-Saharan African countries cannot look back on a similarly long cement and concrete history. Cement and concrete are rather new materials and not yet well established. This gives African engineers the unique opportunity to learn from past mistakes and to develop a concrete technology, which refers to the best available practice. However, in many sub-Saharan African countries, standards and regulations are adopted (preferably from Europe or the US) without consideration of the historical background of these standards. Although this practice helps saving resources for the implementation, it does not necessarily yield the best result in the African environment, and also from an economic point of view it might come back disadvantageously due to unnecessary overdesigning.
By comparing the differing states-of-the-art in North America, Europe, and Asia, this paper emphasizes, how regional conditions determine the practice of concrete technology in the sub-Saharan area. It is therefore important for Africa to develop a unique African concrete technology, which is perfectly fitted to the specific local conditions, even if it may vary distinctively from the established practice elsewhere. The paper concludes that African nations should effort into adapting existing principles that have proved to function well rather than adopting existing standards.