1,720,952 research outputs found
Data-driven corrosion inhibition efficiency prediction model incorporating 2D–3D molecular graphs and inhibitor concentration
No full textFollowing the construction of a dataset of cross-category corrosion inhibitors at different concentrations based on 1241 data from 184 research papers, a performance prediction model incorporating 2D–3D molecular graph representation and corrosion inhibitor concentration information was established. This model was shown to effectively predict the inhibition efficiency (IE) of different categories of corrosion inhibitors for carbon steel in 1 mol/L HCl solution. The model was also able to predict IEs of corrosion inhibitors at different concentrations. The results demonstrated that 3D features of corrosion inhibitors, especially those of large molecules, had a significant impact on the prediction precision of IEs.Green Open Access added to TU Delft Institutional Repository 'You share, we take care!' - Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.Team Arjan Mo
Cross-category prediction of corrosion inhibitor performance based on molecular graph structures via a three-level message passing neural network model
No full textCurrent experimental verification, computational modeling, and machine learning methods for predicting corrosion inhibition efficiency (IE) are limited to specific inhibitor categories with high cost and poor generalization. In this study, a cross-category corrosion inhibitor dataset is constructed and a three-level direct message passing neural network (3 L–DMPNN) model using molecular structure information that integrates atomic-level, chemical bond-level, and molecular-level features to predict the IEs of compounds in a specific environment is established. This work demonstrates that the 3 L–DMPNN model can predict IEs of cross-category corrosion inhibitors from other independent literature and experimental dataset effectively and quickly.Green Open Access added to TU Delft Institutional Repository 'You share, we take care!' - Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.Team Arjan Mo
An Optimization Model to Upgrade the Charging Network of Electric Vehicles
No full textThe current city charging network for electric vehicle (EV) is mainly composed of low-speed charging points. When the number of EVs increase dramatically in the future, the current charging network needs to be upgraded with more charging stations and fast-charging (FC) facilities. We build a mixed-integer programming (MIP) model to propose an upgrading scheme for a city’s public EV charging network, in which new stations can be constructed and some low-speed chargers will be upgraded to fast chargers. The model considers two charging patterns. Drivers can stay at the charging station or walk to their activity places during the charging process, which affects drivers’ satisfaction to a large extent if the waiting time or walking distance is unacceptable. Hence, our optimization model has the objective of minimizing the network upgrading cost and the drivers’ sacrifice of waiting at charging stations and walking to their activity places. In the case study, we obtain the features of the driver’s charging behavior from the analysis of Den Haag’s EV charging database and utilize these features as model inputs. The optimal solution shows that about 40% of the old charging stations are upgraded with faster chargers in the new charging network, and the network adopts more FC stations at the territory with a high vehicle density. Meanwhile, half of the drivers choose to charge at FC stations after upgrading, and every driver can find a charging position at their desirable charging time within an average walking distance of about 160m from the activity place. The new charging network has a great utilization situation during the day, and more than 65% of the charging positions are in operation at night. Through varying the budgets for network upgrading, waiting time cost and travel penalty, our model provides many different upgrading schemes for decision-makers. The solutions reveal that the travel penalty and budget have a noticeable influence on the network capacity, while the waiting time cost mainly influences the number of super-fast charging stations. If we take customer’s satisfaction level into the first place, the investor ought to provide an adequate budget for network upgrading and install a few super-fast charging stations to improve the charging speed.Civil Engineering | Construction Management and Engineerin
Going Beyond Counting First Authors in Author Co-citation Analysis
Get PDFThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Variations on the Author
Get PDF“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
Appropriate Similarity Measures for Author Cocitation Analysis
Get PDFWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Dispelling the Myths Behind First-author Citation Counts
Get PDFWe conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued
use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation
counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more
sophisticated methods
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