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Creators/Authors contains: "Olivetti, Elsa A."

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  1. Abstract

    Consolidating published research on aluminum alloys into insights about microstructure–property relationships can simplify and reduce the costs involved in alloy design. One critical design consideration for many heat-treatable alloys deriving superior properties from precipitation are phases as key microstructure constituents because they can have a decisive impact on the engineering properties of alloys. Here, we present a computational framework for high-throughput extraction of phases and their impact on properties from scientific papers. Our framework includes transformer-based and large language models to identify sentences with phase-property information in papers, recognize phase and property entities, and extract phase-property relationships and their “sentiment.” We demonstrate the application of our framework on aluminum alloys, for which we build a database of 7,675 phase–property relationships extracted from a corpus of almost 5000 full-text papers. We comment on the extracted relationships based on common metallurgical knowledge.

     
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  2. Abstract

    Researchers continue to explore and develop aluminum alloys with new compositions and improved performance characteristics. An understanding of the current design space can help accelerate the discovery of new alloys. We present two datasets: 1) chemical composition, and 2) mechanical properties for predominantly wrought aluminum alloys. The first dataset contains 14,884 entries on aluminum alloy compositions extracted from academic literature and US patents using text processing techniques, including 550 wrought aluminum alloys which are already registered with the Aluminum Association. The second dataset contains 1,278 entries on mechanical properties for aluminum alloys, where each entry is associated with a particular wrought series designation, extracted from tables in academic literature.

     
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  3. Abstract

    Climate change will increase the frequency and severity of supply chain disruptions and large-scale economic crises, also prompting environmentally protective local policies. Here we use econometric time series analysis, inventory-driven price formation, dynamic material flow analysis, and life cycle assessment to model each copper supply chain actor’s response to China’s solid waste import ban and the COVID-19 pandemic. We demonstrate that the economic changes associated with China’s solid waste import ban increase primary refining within China, offsetting the environmental benefits of decreased copper scrap refining and generating a cumulative increase in CO2-equivalent emissions of up to 13 Mt by 2040. Increasing China’s refined copper imports reverses this trend, decreasing CO2e emissions in China (up to 180 Mt by 2040) and globally (up to 20 Mt). We test sensitivity to supply chain disruptions using GDP, mining, and refining shocks associated with the COVID-19 pandemic, showing the results translate onto disruption effects.

     
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  8. Abstract

    Efforts to reduce the carbon footprint associated with cement and concrete production have resulted in a number of promising lower‐emission alternatives. Still, research has emphasized a small subset of potentially useful precursor materials. With the goal of expanding the precursor pool, this work presents results of parallel literature mining and rate modeling activities. As a result of literature mining, materials with appropriate SiO2, Al2O3, and CaO concentrations were assembled into a comprehensive, representative ternary diagram. 23 000+ materials were extracted from 7000 journal articles, and 7500 materials from 6000 articles with 80 ≤ SiO2 + Al2O3 + CaO ≤105 wt% automatically classified. Both supervised and semi‐supervised models were used for dissolution rate prediction of glassy materials with all models pulling from a single data set (n = 802 reported dissolution rates from 105 different glasses). Supervised modeling utilized linear and decision tree regressions to determine features most predictive of dissolution rate, resulting in log‐linear relationships between rate and pH, inverse temperature (1/K), and non‐bridging oxygen per tetrahedron (NBO/T). Semi‐supervised modeling was observed to be more robust to broader feature inclusion, providing similar predictive ability with a relatively larger set of descriptive features. Most importantly, results indicated that models trained on data from disparate scientific communities were adequately predictive (RMSE ≈ 1), particularly under pH ≥7 conditions relevant to the cement and alkali activation communities.

     
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