bluuebunny/crossref_metadata_2025_split huggingface dataset:
The effect of atomic point charges on adsorption isotherms of CO2 and water in metal organic frameworks
Authors: Sladekova Kristina , Campbell Christopher , Grant Calum , Fletcher Ashleigh J. , Gomes José R. B. , Jorge Miguel 
Published: December 2019

AbstractThe interactions between metal–organic frameworks (MOFs) and adsorbates have been increasingly predicted and studied by computer simulations, particularly by Grand-Canonical Monte Carlo (GCMC), as this method enables comparing the results with experimental data and also provides a degree of molecular level detail that is difficult to obtain in experiments. The assignment of atomic point charges to each atom of the framework is essential for modelling Coulombic interactions between the MOF and the adsorbate. Such interactions are important in adsorption of polar gases like water or carbon dioxide, both of which are central in carbon capture processes. The aim of this work is to systematically investigate the effect of varying atomic point charges on adsorption isotherm predictions, identify the underlying trends, and based on this knowledge to improve existing models in order to increase the accuracy of gas adsorption prediction in MOFs. Adsorption isotherms for CO2 and water in several MOFs were generated with GCMC, using the same computational parameters for each material except framework point charge sets that were obtained through a wide range of computational approaches. We carried out this work for 6 widely studied MOFs; IRMOF-1, MIL-47, UiO-66, CuBTC, Co-MOF-74 and SIFSIX-2-Cu-I. We included both MOFs with and without open metal sites (OMS), specifically to investigate whether this property affects the predicted adsorption behaviour. Our results show that point charges obtained from quantum mechanical calculations on fully periodic structures are generally more consistent and reliable than those obtained from either cluster-based QM calculations or semi-empirical approaches. Furthermore, adsorption in MOFs that contain OMS is much more sensitive to the point charge values, with particularly large variability being observed for water adsorption in such MOFs. This suggests that particular care must be taken when simulating adsorption of polar molecules in MOFs with open metal sites to ensure that accurate results are obtained.
Empirical fragility functions and loss curves for Italian business facilities based on the 2012 Emilia-Romagna earthquake official database
Authors: Rossi Leonardo , Stupazzini Marco , Parisi Davide , Holtschoppen Britta , Ruggieri Gabriella , Butenweg Christoph 
Published: December 2019

AbstractThe 2012 Emilia-Romagna earthquake, that mainly struck the homonymous Italian region provoking 28 casualties and damage to thousands of structures and infrastructures, is an exceptional source of information to question, investigate, and challenge the validity of seismic fragility functions and loss curves from an empirical standpoint. Among the most recent seismic events taking place in Europe, that of Emilia-Romagna is quite likely one of the best documented, not only in terms of experienced damages, but also for what concerns occurred losses and necessary reconstruction costs. In fact, in order to manage the compensations in a fair way both to citizens and business owners, soon after the seismic sequence, the regional administrative authority started (1) collecting damage and consequence-related data, (2) evaluating information sources and (3) taking care of the cross-checking of various reports. A specific database—so-calledSistema Informativo Gestione Europa(SFINGE)—was devoted to damaged business activities. As a result, 7 years after the seismic events, scientists can rely on a one-of-a-kind, vast and consistent database, containing information about (among other things): (1) buildings’ location and dimensions, (2) occurred structural damages, (3) experienced direct economic losses and (4) related reconstruction costs. The present work is focused on a specific data subset of SFINGE, whose elements are Long-Span-Beam buildings (mostly precast) deployed for business activities in industry, trade or agriculture. With the available set of data, empirical fragility functions, cost and loss ratio curves are elaborated, that may be included within existing Performance Based Earthquake Engineering assessment toolkits.
Factors affecting the occurrence and activity of clouded leopards, common leopards and leopard cats in the Himalayas
Authors: Can Özgün Emre , Yadav Bhupendra Prasad , Johnson Paul J. , Ross Joanna , D’Cruze Neil , Macdonald David W. 
Published: December 2019

AbstractClouded leopards are one of the least known of larger felids and were believed to be extinct in Nepal until 1987. They are particularly interesting because their Asian range spans a diversity of habitats in the fastest disappearing forests in the world and encompasses a guild which differs in composition from place to place. As a part of a wider camera-trapping study of this guild, involving 2948 camera traps at 45 sites in nine countries, and paralleling a similar study of the Sunda clouded leopard including a further 1544 camera traps spanning 22 sites distributed across two countries, we deployed 84 pairs of camera traps for 107 days in 2014 and 2015 at Langtang National Park, Nepal between 1823 and 3824 m a.s.l. within a grid encompassing c. 120 km2. We documented the presence of clouded leopards for the first time at an altitude as high as 3498 m a.s.l. Naïve occupancy for clouded leopard was 8.6% (correcting for detection, 10.1%). Clouded leopards were least active in the middle of the day, and largely crepuscular and nocturnal, as were the common leopards and leopard cats. The peak of clouded leopard activity overlapped with that of musk deer. Prey species for both clouded leopard and common leopard were available across the elevation range studied although the availability of some prey species declined as elevation increased, whereas Himalayan serow, Himalayan goral, and musk deer showed no association with elevation. Before this study, there was no hard evidence that clouded leopards occurred above 2300 m a.s.l., having documented them at almost 4000 m a.s.l. in the Himalayas, we emphasise the importance of this extreme portion of the species’ range where climate is likely to change more rapidly and with greater consequences, than the global average. The discovery of clouded leopards in Langtang National Park considerably extends their known range, and raises the possibility that they occur from the Terai in southern Nepal up to the Nepal-Tibet (China) border in the north. Insofar as this study has extended the known extreme boundary of the clouded leopard’s geographic range to encompass Langtang National Park in the Nepali Himalayas.
Ni–Zn–Al-Based Oxide/Spinel Nanostructures for High Performance, Methane-Selective CO2 Hydrogenation Reactions
Authors: Rajkumar T. , Sápi András , Ábel Marietta , Farkas Ferenc , Gómez-Pérez Juan Fernando , Kukovecz Ákos , Kónya Zoltán 
Published: December 2019

Abstract
In the present study, NiO modified ZnAl2O4 and ZnO modified NiAl2O4 spinel along with pure Al2O3, ZnAl2O4 and NiAl2O4 for comparison in the CO2 hydrogenation reaction have been investigated. It was found that NiAl2O4, NiO/ZnAl2O4 and ZnO/NiAl2O4 catalysts exhibited outstanding activity and selectivity towards methane even at high temperature compared to similar spinel structures reported in the literature. NiO/ZnAl2O4 catalyst showed CO2 consumption rate of ~ 19 μmol/g·s at 600 °C and ~ 85% as well as ~ 50% of methane selectivity at 450 °C and 600 °C, respectively. The high activity and selectivity of methane can be attributed to the presence of metallic Ni and Ni/NiO/ZnAl2O4 interface under the reaction conditions as evidenced by the XRD results.

Graphic Abstract
High performance Ni–Zn–Al-based oxide/spinel nanostructures is synthesized and NiO/ZnAl2O4 catalyst exhibited higher catalytic activity in the CO2 hydrogenation reaction due to the presence of metal support interaction between Ni and ZnAl2O4 support.
Long-run trend in agricultural yield and climatic factors in Europe
Authors: Agnolucci Paolo , De Lipsis Vincenzo 
Published: December 2019

AbstractReliable projections of crop production are an essential tool for the design of feasible policy plans to tackle food security and land allocation, and an accurate characterization of the long-run trend in crop yield is the key ingredient in such projections. We provide several contributions adding to our current understanding of the impact of climatic factors on crop yield. First of all, reflecting the complexity of agricultural systems and the time required for any change to diffuse, we show that crop yield in Europe has historically been characterized by a stochastic trend rather than the deterministic specifications normally used in the literature. Secondly, we found that, contrary to previous studies, the trend in crop yield has slowly changed across time rather than being affected by a single abrupt permanent change. Thirdly, we provide strong evidence that climatic factors have played a major role in shaping the long-run trajectory of crop yield over the decades, by influencing both the size and the statistical nature of the trend. In other words, climatic factors are important not only for the year-to-year fluctuations in crop yield but also for its path in the long-run. Finally, we find that, for most countries in this study, the trend in temperature is responsible for a reduction in the long-run growth rate of yield in wheat, whereas a small gain is produced in maize, except for Southern European countries.
A path-dependent analysis of the effect of location on the development of new universities
Authors: Misra Debananda 
Published: December 2019

AbstractThis article examines the effect of location on the development of new universities. The study was conducted in seven new higher education institutions (HEIs) established in India during 1996–2008. I collected the data by conducting semi-structured interviews with 73 faculty members in the HEIs and from official documents, media reports and opinion pieces about the HEIs. Using the conceptual framework of path dependency, I investigated the tensions and challenges faced by the HEIs in their initial years. I find the placement of the HEIs in their respective locations to be a contingent event that can make the development of HEIs path dependent. I find that the initial conditions and decisions of the HEIs were influenced by the location and led to reactive sequential events in their initial years with effects that were hard to shake off, making their development path dependent. I show that having to develop their infrastructure and constrained by resources, the HEIs started their academic programmes first, followed by their research activities, and outreach and regional engagement.
Vacations Over the Years: A Cross-Lagged Panel Analysis of Tourism Experiences and Subjective Well-Being in the Netherlands
Authors: Mitas Ondrej , Kroesen Maarten 
Published: December 2019

AbstractTourism experiences, also called vacations, are known to boost subjective well-being, although it has been argued that the effects are primarily affective in nature and short-lived. We argue that this is a methodological artifact due to the brief duration—1 year or less—of almost all extant longitudinal studies of tourism experience effects. Based on broaden-and-build and personal resource theories, we hypothesize that tourism experiences contribute to both affective and cognitive components of subjective well-being over a multi-year timespan. Using random intercept cross-lagged panel models, we tested these hypotheses in 8 years of panel data based on a representative sample of the population of the Netherlands. We found both between- and within-individual effects of vacation frequency on cognitive as well as affective well-being. More frequent vacationers experienced higher life satisfaction and lower negative affect, while the average participant also experienced slightly higher life satisfaction and positive affect following a year with higher vacation frequency. Increases in life satisfaction also predicted more frequent vacationing in a following year, consistent with an “upward spiral” pattern of improving well-being based on accumulation of positive experiences, as suggested by the broaden-and-build theory.
Magnetic Properties of Structural Steels for Simulation of Crack Monitoring by Finite Element Method
Authors: van der Horst Menno Patrick , Kaminski Miroslaw Lech 
Published: December 2019

AbstractThe metal magnetic memory method is a novel technique for monitoring fatigue cracks in steel structures, which can reduce operational expenses and increase safety by minimizing inspections. The crack geometry can be identified by measuring the self magnetic flux leakage, which is induced by the Earth’s magnetic field and the permanent magnetization. The finite element method can be used to simulate the induced magnetic field around cracks to help interpret the self magnetic flux leakage measurements, but it is unclear what material properties to use. This study aims to determine the magnetic permeability of structural steel for accurate simulation of the induced magnetic field around cracks by the finite element method. The induced magnetic field was extracted from measurements above two square steel plates, one without defect and one with a straight slit, and compared with finite element results in function of the relative permeability. For both plates, a uniform relative permeability could be found for which experimental and numerical results were in good agreement. For the plate without defect and a relative permeability of 350, errors were within 20% and were concentrated around the plate’s edges. For the plate with the slit and a relative permeability of 225, errors were within 5%.
Using Age Structure for a Multi-stage Optimal Control Model with Random Switching Time
Authors: Wrzaczek Stefan , Kuhn Michael , Frankovic Ivan 
Published: December 2019

AbstractThe paper presents a transformation of a multi-stage optimal control model with random switching time to an age-structured optimal control model. Following the mathematical transformation, the advantages of the present approach, as compared to a standard backward approach, are discussed. They relate in particular to a compact and unified representation of the two stages of the model: the applicability of well-known numerical solution methods and the illustration of state and control dynamics. The paper closes with a simple example on a macroeconomic shock, illustrating the workings and advantages of the approach.
Parallel Subjective Well-Being and Choice Experiment Evaluation of Ecosystem Services: Marine and Forest Reserves in Coastal Oregon, USA
Authors: Lindberg Kreg , Swearingen Tommy , White Eric M. 
Published: December 2019

AbstractThere is significant policy and research interest in (a) ecosystem services as a framework for understanding the benefits humans receive from natural systems and (b) subjective well-being as a lens for understanding the effects of public policy decisions. The present study occurred at the intersection of these two fields. Choice experiment and contingent subjective well-being (SWB) models were estimated to understand the potential effects of coastal marine and forest reserves in Oregon, USA. Both models indicated heterogeneity in effects across groups defined by environmental worldview and, for marine reserves, recreation use of reserve areas and employment in the commercial fisheries sector. Methodologically, results suggested that a similar process underlays responses to both types of survey task, with similar model coefficient patterns and frequent consistency in responses. However, differences also were indicated, and differences may be more pronounced in other studies, such as those involving between-subject designs. Contingent SWB is a potentially important measurement approach, but further evaluation is needed, including with respect to the effects of task complexity and evaluation object salience.
The Sensitivity of Estimates of Multiphase Fluid and Solid Properties of Porous Rocks to Image Processing
Authors: Garfi Gaetano , John Cédric M. , Berg Steffen , Krevor Samuel 
Published: December 2019

AbstractX-ray microcomputed tomography (X-ray μ-CT) is a rapidly advancing technology that has been successfully employed to study flow phenomena in porous media. It offers an alternative approach to core scale experiments for the estimation of traditional petrophysical properties such as porosity and single-phase flow permeability. It can also be used to investigate properties that control multiphase flow such as rock wettability or mineral topology. In most applications, analyses are performed on segmented images obtained employing a specific processing pipeline on the greyscale images. The workflow leading to a segmented image is not straightforward or unique and, for most of the properties of interest, a ground truth is not available. For this reason, it is crucial to understand how image processing choices control properties estimation. In this work, we assess the sensitivity of porosity, permeability, specific surface area, in situ contact angle measurements, fluid–fluid interfacial curvature measurements and mineral composition to processing choices. We compare the results obtained upon the employment of two processing pipelines: non-local means filtering followed by watershed segmentation; segmentation by a manually trained random forest classifier. Single-phase flow permeability, in situ contact angle measurements and mineral-to-pore total surface area are the most sensitive properties, as a result of the sensitivity to processing of the phase boundary identification task. Porosity, interfacial fluid–fluid curvature and specific mineral descriptors are robust to processing. The sensitivity of the property estimates increases with the complexity of its definition and its relationship to boundary shape.
Pixelated Semantic Colorization
Authors: Zhao Jiaojiao , Han Jungong , Shao Ling , Snoek Cees G. M. 
Published: December 2019

AbstractWhile many image colorization algorithms have recently shown the capability of producing plausible color versions from gray-scale photographs, they still suffer from limited semantic understanding. To address this shortcoming, we propose to exploit pixelated object semantics to guide image colorization. The rationale is that human beings perceive and distinguish colors based on the semantic categories of objects. Starting from an autoregressive model, we generate image color distributions, from which diverse colored results are sampled. We propose two ways to incorporate object semantics into the colorization model: through a pixelated semantic embedding and a pixelated semantic generator. Specifically, the proposed network includes two branches. One branch learns what the object is, while the other branch learns the object colors. The network jointly optimizes a color embedding loss, a semantic segmentation loss and a color generation loss, in an end-to-end fashion. Experiments on Pascal VOC2012 and COCO-stuff reveal that our network, when trained with semantic segmentation labels, produces more realistic and finer results compared to the colorization state-of-the-art.
Are we together or not? The temporal interplay of monitoring, physiological arousal and physiological synchrony during a collaborative exam
Authors: Malmberg Jonna , Haataja Eetu , Seppänen Tapio , Järvelä Sanna 
Published: December 2019

AbstractThe coordination of cognitive and non-cognitive interactive processes contributes to successful collaboration in groups, but it is hard to evidence in computer-supported collaborative learning (CSCL). Monitoring is a metacognitive process that can be an indicator of a student’s ability to recognize success or failure in collaboration. This study focuses on how monitoring occurs in CSCL during a collaborative exam situation by examining how individual student contributions to monitoring processes are related to physiological synchrony and physiological arousal in groups. The participants were organized in four groups of three members each, and they wore sensors that measured their physiological activity. The data consist of video recordings from collaborative exam sessions lasting 90 minutes and physiological data captured from each student with Empatica 4.0 sensors. The video data were analyzed using qualitative content analysis to identify monitoring events. Students’ physiological arousal was determined through peak detection, and physiological concordance was used as an index for the students’ physiological synchrony. The individual and group level analysis investigated arousal and physiological synchrony in concordance with monitoring during the collaborative exam. The results showed that, in each group, each student contributed to joint monitoring. In addition, the monitoring activities exhibited a significant correlation with the arousal, indicating that monitoring events are reflected in physiological arousal. Physiological synchrony occurred within two groups, which experienced difficulties during the collaborative exam, whereas the two groups who had no physiological synchrony did not experience difficulties. It is concluded that physiological synchrony may be a new indicator for recognizing meaningful events in CSCL
Contact fatigue life prediction of a bevel gear under spectrum loading
Authors: Jia Pan , Liu Huaiju , Zhu Caichao , Wu Wei , Lu Guocheng 
Published: December 2019

AbstractRolling contact fatigue (RCF) issues, such as pitting, might occur on bevel gears because load fluctuation induces considerable subsurface stress amplitudes. Such issues can dramatically affect the service life of associated machines. An accurate geometry model of a hypoid gear utilized in the main reducer of a heavy-duty vehicle is developed in this study with the commercial gear design software MASTA. Multiaxial stress—strain states are simulated with the finite element method, and the RCF life is predicted using the Brown–Miller–Morrow fatigue criterion. The patterns of fatigue life on the tooth surface are simulated under various loading levels, and the RCF S–N curve is numerically generated. Moreover, a typical torque—time history on the driven axle is described, followed by the construction of program load spectrum with the rain flow method and the Goodman mean stress equation. The effects of various fatigue damage accumulation rules on fatigue life are compared and discussed in detail. Predicted results reveal that the Miner linear rule provides the most optimistic result among the three selected rules, and the Manson bilinear rule produces the most conservative result.