Miracle-dz/UniFAR-FTUs huggingface dataset:
Solvation pressures for simple fluids in micropores

We report a comprehensive study of the effects of pore size, temperature, bulk fluid density, and intermolecular potentials on the solvation pressure for simple fluids in slit pores. The calculations are based on nonlocal density functional theory. The interactions involving the fluid and wall molecules are modeled using the Lennard-Jones potential, and the effects of varying the interaction parameters (e s f/e ff and σ sf /σ ff , where f and s denote fluid and solid molecules, respectively) are studied. Results are obtained for pores with both identical and nonidentical walls, and qualitative features of the results are compared with available experimental information
Application of Bayesian posterior probabilistic inference in educational trials

ABSTRACT Educational researchers advocate the use of an effect size and its confidence interval to assess the effectiveness of interventions instead of relying on a p-value, which has been blamed for lack of reproducibility of research findings and the misuse of statistics. The aim of this study is to provide a framework, which can provide direct evidence of whether an intervention works for the study participants in an educational trial as the first step before generalizing evidence to the wider population. A hierarchical Bayesian model was applied to ten cluster and multisite educational trials funded by the Education Endowment Foundation in England, to estimate the effect size and associated credible intervals. The use of posterior probability is proposed as an alternative to p-values as a simple and easily interpretable metric of whether an intervention worked or not. The probability of at least one month’s progression or any other appropriate threshold is proposed to use in education outcomes instead of using a threshold of zero to determine a positive impact. The results show that the probability of at least one month’s progress ranges from 0.09 for one trial, GraphoGame Rime, to 0.94 for another, the Improving Numeracy and Literacy trial.
A Capitals Approach to Biorefinery Siting Using an Integrative Model

Biorefinery site selection is critical to producing economically viable and environmentally sustainable biofuels. Facility siting requires significant financial investments and longterm strategic commitments. These decisions are primarily driven by economic factors, such as access to labor and markets, raw materials, and costreducing local incentives (Noon, Zhan, and Graham 2002). Economic criteria will always be central to site selection decisions. However, nontechnical considerations are also critical and can be among the largest obstacles to successful hightech facility siting (Plate, Monroe, and Oxarart 2010; Rösch and Kaltschmitt 1999; White 2010). Understanding local communities’ influence on the outcomes of biorefinery siting is gaining traction, but it is difficult to measure and incorporate into the site selection process. In cases where bioenergy projects failed despite positive feasibility studies, Christine Rösch and Martin Kaltschmitt identified a number of issues: funding, financing, and insuring problems; unfavorable administrative conditions; organizational difficulties; limited
Foundations of Superintendent Trustworthiness: Perspectives of Elementary School Principals

In this article, we draw on the literature on trust to examine how elementary school principals make sense of superintendent trustworthiness. We examine trust in the context of the principal–superintendent relationship because it is the “social glue” needed for effective professional relationships where student learning and success is at the core. We used purposeful sampling and conducted fifteen in-depth, semi-structured interviews with five elementary school principals. Drawing on constructivist grounded theory guidelines, we describe the principals’ foundations of superintendent trustworthiness, including how they conceptualize trust, the importance of superintendent competence, and shared values between both parties. Participants viewed trust as a reciprocal two-way path, requiring vulnerability from both parties and occurring over time. The experiences of the five participants are helpful for principals and superintendents who wish to strengthen trust relations for the purposes of their leadership and for creating healthy, thriving school communities.
Food waste impact on Romanian households

Food waste is an increasing issue in the global contexts of food security, scarcity, and the environment. Resources used to generate food raw materials, food processing and distribution have a significant impact on the environment. Our contemporary development pattern, based on consumption stimulation, generates social and geographic disparities, with highly over stimulated consumption in economically developed areas and reduced food availability or even famine in poor communities. As such, we are faced with the both the problems of food waste and food scarcity at the same time. The present article is assessing the Romanian consumer’s food waste impact in 2020, based on data from a nation-wide urban areas statistically representative group.
REVEALING THE LITERARY LANDSCAPE: RESEARCH LINES AND CHALLENGES OF LITERARY TOURISM STUDIES

This article reviews the literature on literary tourism between 1983-2019. It has a double objective: on the one hand, it aims at gathering a comprehensive perspective into the quantity and evolution of studies on literary tourism and, on the other hand, identifying lines of research and the main objects of study within the research on literary tourism. The latter will allow us to identify what trends have been followed when analyzing literary tourism, both methodologically and conceptually. To answer these objectives, the article structures its literature review in two phases: a descriptive analysis and a thematic analysis. From this starting point, the article will present a number of challenges for future research on literary J. Arcos-Pumarola; E. Osácar Marzal; N. Llonch-Molina Enlightening Tourism. A Pathmaking Journal, Vol. 10, No 2 (2020), pp. 179-205 ISSN 2174-548X 180 tourism, both at a methodological and content-related level, emphasizing the use of quantitative methodologies to approach this touristic type, analyzing the role of literary tourism in touristic destinations as well as focusing on the pedagogical needs of tourists in order to facilitate their access to literary tourism.
A Review of Meta-Analysis Articles in Educational Sciences Conducted Between 2010 and 2019 in Turkey

This study examines meta-analysis studies published in the field of educational sciences from 2010–2019, in journals indexed within the scope of the TUBITAK ULAKBIM TR Directory. Of the 163 studies scanned, 26 meta-analysis studies that meet the inclusion criteria constitute the sample of this content analysis study. Within this research, a meta-analysis control form (MACF) developed by the researchers was used. The coding made by each of the two researchers has been considered, and it is concluded that the coherence between the codings was is sufficient (82%). The results of this research indicate that the most obvious problems in meta-analysis studies are: not establishing hypotheses; not calculating reliability between encoders; not using a flow chart (in terms of traceability); the use of commercial software in the analysis; not combining effect sizes on a common metric; use of the fail-safe N in determining publication bias; evaluation of I2 on the basis of categories; and decision making according to the result of the heterogeneity test in model determination. It is thought that the current study will contribute methodologically to the avoidance of errors in future meta-analysis studies.
Poisoning of SCR Catalysts by Alkali and Alkaline Earth Metals

SCR still represents the most widely applied technique to remove nitrogen oxides from flue gas from both stationary and mobile sources. The catalyst lifetime is greatly affected by the presence of poisoning compounds in the exhaust gas that deactivate the catalysts over time on stream. The progressive and widespread transition towards bio-derived fuels is pushing research efforts to deeply understand and contrast the deactivating effects of some specific poisons among those commonly found in the emissions from combustion processes. In particular, exhaust gases from the combustion of bio-fuels, as well as from municipal waste incineration plants and marine engines, contain large amounts of alkali and alkaline earth metals that can severely affect the acid, redox, and physical properties of the SCR catalysts. This review analyzes recent studies on the effects of alkali and alkaline earth metals on different types of SCR catalysts divided into three main categories (conventional V2O5-WO3/TiO2, supported non-vanadium catalysts and zeolite-based catalysts) specifically focusing on the impact of poisons on the reaction mechanism while highlighting the different type of deactivation affecting each group of catalysts. An overview of the different regeneration techniques aimed at recovering as much as possible the original performance of the catalysts, highlighting the pros and cons, is given. Finally, current research trends aiming to improve the tolerance towards alkali-poisoning of SCR catalysts are reported.
Subsurface Geometry and Emplacement Conditions of a Giant Dike System in Elysium Fossae, Mars

Elysium Fossae is a NW‐SE, 350 km‐long linear graben system located in the eastern flank of Elysium Mons, Mars. Graben widths, lengths, and topographic data were used to model the thicknesses, depths, heights, and excess pressures of a possible dike system underneath these grabens. Area balance on topographic profiles across the structures reveals dikes at depths of 241–2,330 m below the surface, with average thicknesses <60 m, and heights of 15–20 km. These heights are approximately three times larger than terrestrial dikes intruded in the shallow crust. The subsurface properties suggest a teardrop‐shape geometry for the dikes, which has been observed in many theoretical and analog dike models. Additionally, the aspect ratios (thicknesses and lengths) of the inferred dikes are consistent with sublinear scaling, characteristic of fluid‐induced fractures. The obtained critical stress intensity factors (Kic) are between 3.14 and 15.15 GPa·m1/2 and are slightly higher than those of terrestrial dikes intruded in similar lithologies. The maximum excess pressures calculated from stress intensity factors are between 31 and 276 MPa. These are also consistent with pressures calculated for terrestrial dikes despite the greater aperture and height of the Elysium dikes. Theoretical calculations of excess pressures for variable dike heights support both the values calculated from empirical observations, and that Martian dike heights may consistently be three times the heights of terrestrial dikes. In summary, this work supports: (1) the existence of a dike system underneath Elysium and (2) that dike heights in rocky planets may scale inversely with gravitational acceleration.
ExoSpec project: an exoplanet spectroscopy technology research collaboration based at NASA’s Goddard Space Flight Center and Ames Research Center

The exoplanet atmosphere characterization goals of future UV/Optical/Infrared flagship space missions will drive challenging design requirements for instrument wavefront controls, spatial and spectral sampling, spectral bandwidth, and detector performance. The new ExoSpec Project links four previously distinct research efforts at Goddard and Ames for enabling and enhancing the characterization of directly-imaged exoplanets. ExoSpec is comprised of three laboratory subsystem demonstrations: high-contrast integral field spectrographs, p-channel CCDs, and parabolic deformable mirrors. A fourth component, exoplanet spectral retrieval, is an iterative data simulation activity driven by the goal of optimizing the system-level instrument design for atmosphere retrieval metrics. The ExoSpec Project's emphasis on system-level spectroscopy performance complements the objectives of other technology demonstrations supported by NASA.
Independent directors’ dissent on boards and detection of firm violations: empirical evidence from China

ABSTRACT Using a bivariate probit model that addresses partial observability, I find a positive relationship between independent directors’ dissent on boards and firm violation detection, implying the positive effect of dissent on triggering investigations that bring violations to light. The results provide evidence of a specific channel for independent directors to influence the detection of firm violations and, taking a broader view, to improve corporate governance.
Improved Sound Radiation of Flat Panel Loudspeakers Using the Local Air Spring Effect

The low-frequency performance of exciter-driven flat-panel loudspeakers is technically challenging. The lower modal density results in high deviations in the frequency response, and dips of more than 20 dB are possible. This paper presents an alternative approach for optimizing the modal behavior through the additional air spring effect of an irregular shaped enclosure. The additional mode-dependent air compliance suppresses the panel’s anti-phase components, which minimizes dips in the frequency response and improves the response without adding mass to the system. The approach is analyzed with the measured and simulated results of a prototype. Furthermore, additional enclosure changes were made to visualize the influence of the air spring improved system.
Room temperature, water-based, microreactor synthesis of gold and silver nanoparticles

Synthesis of gold and silver nanoparticles at room temperature using a polydimethylsiloxane (PDMS) microreactor has been reported. The reactions have been performed using aqueous metal salt solutions and borohydride reducing agent with tri-sodium citrate as the capping agent. Effect of concentration of reducing agent on the optical properties of the nanoparticles has been investigated. The nanoparticles were characterised by UV-Vis absorption spectroscopy and transmission electron microscopy. The UV-Vis absorption spectra show a blue shift in the spectra with increasing concentration of the reducing agent, which indicates reduction in the size with increased amount of the reducing agent. The sizes of the nanoparticles are uniformly smaller in the microreactor synthesis as compared to those in the conventional batch synthesis, under similar reaction conditions. The microreactor synthesis is very fast and improves the monodispersity with excellent reproducibility.
Energy Absorption Strategies in the Lower Extremities during Double-Leg Landings in Knee Valgus Alignment

Landing with the knee in a valgus position may alter energy absorption strategies in the lower extremities and increase mechanical stress on the knee joint. We compared the energy absorption strategies in the lower extremities during valgus and varus landings. Seventeen females were divided into valgus and varus groups. Lower extremity kinetic data were obtained during drop jumps, using a three-dimensional motion analysis system. Negative mechanical work in the lower extremities were calculated during landing. The valgus group exhibited significantly more negative mechanical work at the knee, and less negative mechanical work at the hip, compared with the varus group. However, there was no difference in the negative mechanical work at the ankle between the two groups. Findings suggest that an increased valgus landing reduces the contribution of the hip to energy absorption and is associated with a reciprocal increased contribution by the knee. Hence a knee valgus landing position may be a key biomechanical factor that increases energy absorption in the knee, thereby increasing the risk of injury. Results further indicate that this can be prevented by adopting a knee varus position on landing, which facilitates absorption of the mechanical load at the hip, rather than at the knee.
Molecular Simulation and Performance Prediction of Photoelectrochemical Solar Cells

This paper presents an integration of molecular simulation with computational mass transfer to predict the photocurrent-voltage (I-V) performance of photoelectrochemical solar cells. It aims at developing a general simulator for ionic-liquid-type photoelectrochemical cells, excluding the prediction of the incident photon-to-current efficiency and the injection efficiency parts. The charge transport in the electrolyte, typically iodide/tri-iodide ionic liquid, is mainly in the molecular diffusion mechanism, which partly limits the solar cell performance. The molecular dynamics technique is employed to assess the ionic conductivity and diffusion coefficient of the charge transfer. The ionic conductivity is compared with a published experimental result carried out by an impedance test. The corresponding diffusion coefficient is then inputted to a computational mass transfer code, and the depletion of redox charges at the electrode can be calculated. The electrochemical performance of the solar cell is predicted and shown in reasonable agreement with experimental I-V results. c 2009 The Electrochemical Society. [DOI:10.1149/1.3216048] All rights reserved.
How to Conquer One's Weaker Self: Do Autonomy Affordance Increase Goal Performance and Well-being?

Positive self-tracking technologies support users in conducting personal analytics and aim to foster their users’ goal attainment and well-being. A driver for these two is the experience of autonomy which can be afforded by self-tracking IS. In this paper, we examine the influence of autonomy affordance provided by self-tracking IS as well as its actualization on goal performance and well-being. For this purpose, empirical data was collected in a field experiment using a self-developed mobile self-tracking application. The results of a path analysis indicate that the mere provision of autonomy affordance is positively linked to well-being and that its actualization positively affects goal performance, in turn improving well-being. Contributing to design knowledge in positive computing and self-tracking IS as well as Affordance Theory, we find that the design of self-tracking IS should provide autonomy affordance to further both their users' goal performance and well-being.
Calculating the number of Hamilton cycles in layered polyhedral graphs

We describe a method for computing the number of Hamilton cycles in cubic polyhedral graphs. The Hamilton cycle counts are expressed in terms of a finite-state machine, and can be written as a matrix expression. In the special case of polyhedral graphs with repeating layers, the state machines become cyclic, greatly simplifying the expression for the exact Hamilton cycle counts, and let us calculate the exact Hamilton cycle counts for infinite series of graphs that are generated by repeating the layers. For some series, these reduce to closed form expressions, valid for the entire infinite series. When this is not possible, evaluating the number of Hamiltonian cycles admitted by the series’ k -layer member is found by computing a ( k − 1) th matrix power, requiring  ( log 2 ( k )) matrix-matrix multiplications. We demonstrate our technique for the two infinite series of fullerene nanotubes with the smallest caps. In addition to exact closed form and matrix expressions, we provide approximate exponential formulas for the number of Hamilton and electronic structure of polyhedral molecules.
Controls Since the mid‐Pleistocene Transition on Sedimentation and Primary Productivity Downslope of Totten Glacier, East Antarctica

The rapidly thinning Totten Glacier on the Sabrina Coast, East Antarctica, is the primary drainage outlet for ice within the Aurora Subglacial Basin, which could destabilize under the current atmospheric warming trend. There is growing need for direct geological evidence from the Sabrina Coast to frame late twentieth century Totten melting in the context of past warm climate analogs. Addressing this need, sediment archives were recovered from two sites on the Sabrina Coast slope and rise that record changes in terrigenous sedimentation and primary productivity in the region over glacial cycles since the mid‐Pleistocene transition (MPT). This research presents physical properties, grain size, diatom abundance and assemblages, and geochemical analysis from the two sites to determine how the processes that control sedimentation change between glacial and interglacial phases. The stratigraphic sequences in both cores record cyclic variations in physical properties and diatom abundances, which radiocarbon and biostratigraphic chronologies reveal as 100 Kyr glacial‐interglacial cyclicity. During glacials, terrigenous sediment deposition is enhanced by advanced grounded ice on the shelf, while primary productivity is restricted due to permanent summer sea ice extending past the continental slope. During interglacials, pelagic sedimentation suggests high surface productivity associated with contractions of regional sea ice cover. Comparison with post‐MPT slope records from Wilkes Land and the Amundsen Sea shows that this pattern is consistent in slope sediments around the margin. The higher‐amplitude variations in Antarctic ice volume and sea ice extent post‐MPT ensure that these signals are pervasive around the Antarctic margin.
Pt and Pd Nanoparticle Crystallization in the Sol-Gel-Derived Thin SiO2 Films

The crystallization and distribution the features of Pt, Pd and Pt/Pd nanoparticles in spin-on glass SiO2 films were studied within a wide range of the dopant concentrations in silica sol (from 10 to 80 mol.% Pt, Pd or Pt/Pd per 100 mol.% Si). The grazing incidence X-ray diffraction (GIXRD) characterization revealed that the formation of 4–8 nm sized crystalline Pt, Pd and Pt/Pd nanoparticles in SiO2 films began at the dopant concentrations of at least 10 mol. % Pt and/or Pd per 100 mol. % Si. The nanoparticles obtained from sols with the lower Pt, Pd or Pt/Pd concentrations were characterized by an amorphous structure. The dopants distribution over the film thickness (~21–47 nm) was studied using X-ray reflectometry. The effect of the dopant concentration, spin-coating modes and heat treatment temperature on the film thickness was characterized. When only one of the dopants (Pt or Pd) was introduced into the silica sol, the resulting nanoparticles were preferentially localized close to the film surface. When dopants were used together, the Pt/Pd nanoparticles were distributed more evenly.
Assessing Causal Effects in a Longitudinal Observational Study With “Truncated” Outcomes Due to Unemployment and Nonignorable Missing Data

Abstract Important statistical issues pervade the evaluation of training programs’ effects for unemployed people. In particular, the fact that offered wages are observed and well-defined only for subjects who are employed (truncation by death), and the problem that information on the individuals’ employment status and wage can be lost over time (attrition) raise methodological challenges for causal inference. We present an extended framework for simultaneously addressing the aforementioned problems, and thus answering important substantive research questions, in training evaluation observational studies with covariates, a binary treatment and longitudinal information on employment status and wage, which may be missing due to the lost to follow-up. There are two key features of this framework: we use principal stratification to properly define the causal effects of interest and to deal with nonignorable missingness, and we adopt a Bayesian approach for inference. The proposed framework allows us to answer an open issue in economics: the assessment of the trend of reservation wage over the duration of unemployment. We apply our framework to evaluate causal effects of foreign language training programs in Luxembourg, using administrative data on the labor force (IGSS-ADEM dataset). Our findings might be an incentive for the employment agencies to better design and implement future language training programs.