bluuebunny/crossref_metadata_2025_split huggingface dataset:
The strange bedfellows of populism and liberalism: the effect of populist attitudes on the perception of the COVID-19 pandemic and policies to contain it
Authors: Heinisch Reinhard , Werner Annika 
Published: October 2023

AbstractThe COVID-19 pandemic has had a significant impact on everyday life, where people feel affected both economically and health-wise by the spread of the novel virus, regardless of whether they have contracted it or not. At the same time, we know that populist attitudes influence how people perceive their individual situation, the political environment, and available policy solutions. Are these two factors interrelated? This article examines the role that populist attitudes play (a) in subjective feelings of being affected by the COVID-19 pandemic and (b) in choosing policies to counteract its spread. Populist attitudes may lead people to reject the policy-making process during the COVID-19 pandemic, shaped primarily by experts. The article argues that this should increase the sense of concern among people with populist orientations and lead to a rejection of commonly discussed policies to contain the virus. To test this connection empirically, we conducted a representative survey in Austria in September 2020. Our analysis shows a significant and substantive correlation between populist attitudes and the subjective feeling of being affected by the crisis in the areas of health and the economy. Similarly, we find evidence that populist attitudes affect the acceptability of policies to combat the spread of COVID-19. These findings indicate that populist attitudes have such strong effects on individuals’ perception of the world that they even influence the perception of the globally shared challenge of a pandemic.
First-principles study of luminescence and electronic properties of Ce-doped Y2SiO5
Authors: Mirzai Amin , Ahadi Aylin 
Published: October 2023

The transition of energy from the 4f to the 5d state is a fundamental element driving various applications, such as phosphors and optoelectronic devices. The positioning of the 4f ground states and the 5d excited states significantly influences this energy shift. In our research, we delve into the placement of these states utilizing a hybrid density functional theory (DFT) combined with spin–orbit coupling (SOC) via the supercell method. Additionally, we scrutinize the transition energy, applying the constrained density functional theory (cDFT) approach in conjunction with the ΔSCF method. Our study illustrates that the synergy of cDFT and SOC generates a discrepancy of about 2% for Ce1 and 4% for Ce2 when comparing the calculated results to experimental data. Moreover, We have determined the positions of the 4f ground states to be 2.73 eV above the Valence Band Maximum (VBM) for Ce1 and 2.70 eV for Ce2. We also note a tight correlation between the 5d levels identified in the experimental data and the theoretical outcomes derived from wave function calculations at the CASPT2 accuracy level.
Anisotropic dynamics of an interfacial enzyme active site observed using tethered substrate analogs and ultrafast 2D IR spectroscopy
Authors: Hill Tayler D. , Basnet Sunil , Lepird Hannah H. , Rightnowar Blaze W. , Moran Sean D. 
Published: October 2023

Enzymes accelerate the rates of biomolecular reactions by many orders of magnitude compared to bulk solution, and it is widely understood that this catalytic effect arises from a combination of polar pre-organization and electrostatic transition state stabilization. A number of recent reports have also implicated ultrafast (femtosecond-picosecond) timescale motions in enzymatic activity. However, complications arising from spatially-distributed disorder, the occurrence of multiple substrate binding modes, and the influence of hydration dynamics on solvent-exposed active sites still confound many experimental studies. Here we use ultrafast two-dimensional infrared (2D IR) spectroscopy and covalently-tethered substrate analogs to examine dynamical properties of the promiscuous Pyrococcus horikoshii ene-reductase (PhENR) active site in two binding configurations mimicking proposed “inactive” and “reactive” Michaelis complexes. Spectral diffusion measurements of aryl-nitrile substrate analogs reveal an end-to-end tradeoff between fast (sub-ps) and slow (&gt;5 ps) motions. Fermi resonant aryl-azide analogs that sense interactions of coupled oscillators are described. Lineshape and quantum beat analyses of these probes reveal characteristics that correlate with aryl-nitrile frequency fluctuation correlation functions parameters, demonstrating that this anisotropy is an intrinsic property of the water-exposed active site, where countervailing gradients of fast dynamics and disorder in the reactant ground state are maintained near the hydration interface. Our results suggest several plausible factors leading to state-selective rate enhancement and promiscuity in PhENR. This study also highlights a strategy to detect perturbations to vibrational modes outside the transparent window of the mid-IR spectrum, which may be extended to other macromolecular systems.
Development of an analytical exponential-6 equation of state through Monte Carlo simulations
Authors: Hallstadius Peter 
Published: October 2023

The exponential-6 (exp-6) potential is commonly used to model fluids at high densities. In this paper, I propose a new equation of state (EOS) in the form of an analytical expression for the excess Helmholtz free energy of an exp-6 fluid. The EOS is based on extensive Monte Carlo simulations and therefore combines the excellent accuracy of the simulations with the numerical efficiency of a polynomial expression. The mean relative error in compressibility factor and internal energy is 0.14% and 0.25% respectively, which is a significant improvement over statistical mechanical theories. The EOS was implemented into a thermochemical code in order to optimize gas parameters and evaluate its performance on pure gas data, shock compression and detonation properties. Predicted gas densities, heat capacities and speed of sound for pure gases were generally within experimental uncertainties at pressures up to 1 GPa and temperatures above 300 K. For polar molecules, a simple free energy correction was introduced which greatly improved accuracy at low temperature. Calculated shock Hugoniots showed excellent agreement with experimental values up to 150 GPa and 10 000 K, and the detonation performance was accurately predicted for a number of different types of explosives.
Hansard at Huddersfield
Authors: Jeffries Lesley , Stradling Fransina , Lünen Alex von , Sanjurjo-González Hugo 
Published: October 2023

Abstract
This chapter describes one project’s approach to
fostering uptake of corpus tools in research beyond corpus linguistics. It
introduces the Hansard at Huddersfield web application, a new search tool
that combines tried-and-tested corpus tools with interactive visualisations
to make Hansard, the official record of the UK parliament (1803–2021), more
accessible for in-depth study by non-specialists. The chapter outlines the
thinking behind and development of the Hansard at Huddersfield web interface
and exemplifies how the site’s adapted corpus tools offer non-linguists new
entry points for Hansard research through three small sample studies. It
further reflects on the process of preparing the large Hansard corpus to
allow insights to be gleaned from corpus-style searches by researchers with
relatively little training.
From criminal lunacy to mental disorder
Authors: Nevala Minna , Tyrkkö Jukka 
Published: October 2023

Abstract
This chapter investigates discourses of mental health in
the British parliament over two centuries (1800–2020). A pattern-driven
approach is used to explore terminology related to mentally ill people,
mental institutions, and mental health in general. The study focuses on
lexical trends in parliamentary discourse, the extent to which mental health
discourse was discussed in general, and the way in which the lexis of modern
mental health care has developed. The results show that the major shifts in
the entire lexical field have happened in specific time periods, the turning
points being in the 1840s, 1930s and 1950s. The general attitude also seems
to have shifted, and the data show an increasing concern for legally
protecting people with mental illness.
Colloquialisation, compression and democratisation in British parliamentary debates
Authors: Schneider Gerold , Reveilhac Maud 
Published: October 2023

Abstract
We conduct an analysis of the link between
colloquialisation and democratisation in debates in the British parliament.
Our corpus is a sampler of the Hansard archive, covering the period
1803–2005 and containing 170 million words. We first investigate how the
linguistic patterns of parliamentary debates have evolved, and second how
the content of the debates has changed over time. Combining these two
research questions allows us to step to a third question: are there direct
relations between linguistic features, most notably colloquialisation and
compression of language, and the topical content of parliamentary discourse,
particularly its underpinnings in social and political democratisation
processes? We also critically discuss strong correlations between features
of language complexity and democracy indices. We adopt an interdisciplinary
perspective embedded in both linguistics and political sciences.
Multiscale hierarchical decomposition methods for ill-posed problems
Authors: Kindermann Stefan , Resmerita Elena , Wolf Tobias 
Published: October 2023

Abstract
The multiscale hierarchical decomposition method (MHDM) was introduced in Tadmor et al (2004 Multiscale Model. Simul.
2 554–79; 2008 Commun. Math. Sci.
6 281–307) as an iterative method for total variation (TV) regularization, with the aim of recovering details at various scales from images corrupted by additive or multiplicative noise. Given its success beyond image restoration, we extend the MHDM iterates in order to solve larger classes of linear ill-posed problems in Banach spaces. Thus, we define the MHDM for more general convex or even nonconvex penalties, and provide convergence results for the data fidelity term. We also propose a flexible version of the method using adaptive convex functionals for regularization, and show an interesting multiscale decomposition of the data. This decomposition result is highlighted for the Bregman iteration method that can be expressed as an adaptive MHDM. Furthermore, we state necessary and sufficient conditions when the MHDM iteration agrees with the variational Tikhonov regularization, which is the case, for instance, for one-dimensional TV denoising. Finally, we investigate several particular instances and perform numerical experiments that point out the robust behavior of the MHDM.
Component-wise iterative ensemble Kalman inversion for static Bayesian models with unknown measurement error covariance
Authors: Botha Imke , Adams Matthew P , Frazier David , Khuong Tran Dang , Bennett Frederick R , Drovandi Christopher 
Published: October 2023

Abstract
The ensemble Kalman filter (EnKF) is a Monte Carlo approximation of the Kalman filter for high dimensional linear Gaussian state space models. EnKF methods have also been developed for parameter inference of static Bayesian models with a Gaussian likelihood, in a way that is analogous to likelihood tempering sequential Monte Carlo (SMC). These methods are commonly referred to as ensemble Kalman inversion (EKI). Unlike SMC, the inference from EKI is asymptotically biased if the likelihood is non-linear and/or non-Gaussian and if the priors are non-Gaussian. However, it is significantly faster to run. Currently, a large limitation of EKI methods is that the covariance of the measurement error is assumed to be fully known. We develop a new method, which we call component-wise iterative EKI (CW-IEKI), that allows elements of the covariance matrix to be inferred alongside the model parameters at negligible extra cost. This novel method is compared to SMC on a linear Gaussian example as well as four examples with non-linear dynamics (i.e. non-linear function of the model parameters). The non-linear examples include a set of population models applied to synthetic data, a model of nitrogen mineralisation in soil that is based on the Agricultural Production Systems Simulator, a model predicting seagrass decline due to stress from water temperature and light, and a model predicting coral calcification rates. On our examples, we find that CW-IEKI has relatively similar predictive performance to SMC, albeit with greater uncertainty, and it has a significantly faster run time.
High radiation performance and multi-band acoustically driven piezoelectric antenna based on energy trapping theory
Authors: Zhang Yong , Zhou Hongcheng , Yan Zhongming , Wang Yu 
Published: October 2023

Abstract
The paper introduces a novel design method for an acoustically driven piezoelectric antenna with high radiation performance and broadband characteristics based on energy trapping theory. The reasonableness of the design method is demonstrated by analytically deriving the radiated magnetic field, radiated efficiency and resonant frequency, which are further validated by simulation analysis. Furthermore, a prototype is fabricated and measured, and the results indicate remarkable improvements compared to the non-energy trapping mode, the bandwidth is widened by 10%, the radiation efficiency is increased by 28%, the radiation magnetic field is increased by three times, the transmission distance is increased by 2.75 times. The radiation enhancement and multi-band capability of the proposed antenna has been successfully demonstrated. Additionally, we have successfully implemented amplitude modulation signals transmission using proposed antenna. These results highlight the significant potential of the proposed antenna for portable, miniaturized, and high-performance wireless communication devices.
Physical properties of Be-based fluoroperovskite compounds XBeF3 (X = K, Rb): a first-principles study
Authors: Mouna Sarah Chaba , Radjai Missoum , Rahman Md. Atikur , Bouhemadou Abdelmadjid , Abdullah  , Houatis Djamel , Allali Djamel , Essaoud Saber Sâad , Allaf Hatem 
Published: October 2023

Abstract
In this study, we used the ab-initio computational tools as implemented in the CASTEP code to explore the effects of pressure on the structural, elastic, electronic, thermodynamic and optical properties of the fluoroperovskite compounds XBeF3 (X = K, Rb) based on Being. Exchange–correlation interactions were modeled using the GGA-PBEsol functional. The ground state of the title materials was characterized by calculating the optimized lattice parameter, the bulk modulus B and its pressure derivative, and the Goldsmith tolerance factor. These materials exhibit structural stability in the cubic structure even when subjected to significant pressure levels, extending up to 18 GPa. The analysis of numerical assessments of single-crystal elastic constants (Cij
), polycrystalline elastic moduli, namely shear modulus (G), Young’s modulus and Poisson’s ratio, as well as the anisotropy factor (A), highlights the mechanical stability, elastic anisotropy and ductility of considered the compounds. The thermodynamic properties of these materials were studied through the Debye quasi-harmonic model. Analysis of energy band structures and density of states spectra shows that XBeF3 (X = K, Rb) is insulating in nature, with band gaps of 7.99 and 7.26 eV, respectively. Additionally, we calculated the linear optical spectra, including dielectric function, absorption coefficient, refractive index, optical reflectivity, and energy loss function. Based on the results obtained, these materials could be used in various optoelectronic devices operating in the UV spectrum and in energy storage devices.
Morphology of Bi(110) quantum islands on epitaxial graphene
Authors: Koch Julian , Ghosal Chitran , Sologub Sergii , Tegenkamp Christoph 
Published: October 2023

Abstract
Proximitized 2D materials present exciting prospects for exploring new quantum properties, enabled by precise control of structures and interfaces through epitaxial methods. In this study, we investigated the structure of ultrathin coverages formed by depositing high-Z element bismuth (Bi) on monolayer graphene (MLG)/SiC(0001). By utilizing electron diffraction and scanning tunneling microscopy, ultrathin Bi nanostructures epitaxially grown on MLG were studied. Deposition at 300 K resulted in formation of needle-like Bi(110)-terminated islands elongated in the zig-zag direction and aligned at an angle of approximately 1.75∘ with respect to the MLG armchair direction. By both strain and quantum size effects, the shape, the orientation and the thickness of the Bi(110) islands can be rationalized. Additionally, a minority phase of Bi(110) islands orthogonally aligned to the former ones were seen. The four sub-domains of this minority structure are attributed to the formation of mirror twin boundaries, resulting in two potential alignments of Bi(110) majority and minority domains with respect to each other, in addition to two possible alignments of the majority domain with respect to graphene. Notably, an annealing step at 410 K or lowering the deposition temperature, significantly increases the concentration of the Bi(110) minority domain. Our findings shed light on the structural control of proximitized 2D materials, showcasing the potential for manipulating 2D interfaces.
First-principle study of the electronic structure of layered Cu2Se
Authors: Yi Ju-Xia , Zhang Rui-Zi , Zhang Yu-Yang , Du Shi-Xuan 
Published: October 2023

Abstract
Copper selenide (Cu2Se) has attracted significant attention due to the extensive applications in thermoelectric and optoelectronic devices over the last few decades. Among various phase structures of Cu2Se, layered Cu2Se exhibits unique properties, such as purely thermal phase transition, high carrier mobility, high optical absorbance and high photoconductivity. Herein, we carry out a systematic investigation for the electronic structures of layered Cu2Se with several exchange-correlation functionals at different levels through first-principle calculations. It can be found that the electronic structures of layered Cu2Se are highly sensitive to the choice of functionals, and the correction of on-site Coulomb interaction also has a noticeable influence. Comparing with the results calculated with hybrid functional and G0W0method, it is found that the electronic structures calculated with LDA + U functional are relatively accurate for layered Cu2Se. In addition, the in-plane biaxial strain can lead to the transition of electronic properties from metal to semiconductor in the layered Cu2Se, attributed to the change of atomic orbital hybridization. Furthermore, we explore the spin-orbit coupling (SOC) effect of Cu2Se and find that the weak SOC effect on electronic structures mainly results from spatial inversion symmetry of Cu2Se. These findings provide valuable insights for further investigation on this compound.
Investigation of surface orientation dependent sputtering of Ag
Authors: Nilsson Rasmus , Choupanian Shiva , Ronning Carsten , Nordlund Kai , Granberg Fredric 
Published: October 2023

Abstract
Sputtering of metal surfaces can be both a beneficial phenomenon, for instance in the coating industry, or an undesired side-effect, for instant materials subjected to irradiation. While the average sputtering yields are well known in common metals, recent studies have shown that the yields can depend on the crystallographic orientation of the surface much stronger than commonly appreciated. In this study, we investigate by computational means, molecular dynamics, the sputtering of single crystalline Ag surfaces under various incoming energies. The results at low and high energy are compared to experimental results for single crystalline Ag nanocubes of different orientations. We observe strong differences between the sputtering yields of different surface directions and ion energies. We analyze the results in terms of the atom cluster size of the sputtered materials, and show that the cluster size distribution is a key factor to understand the correspondence between simulations and experiments. At low energies mainly single atoms are sputtered, whereas at higher energies the sputtered material is mainly in atom clusters.
Analysis and prediction of railway track longitudinal level using multiple machine learning methods
Authors: Han Lei , Liao Yingying , Wang Haoyu , Zhang Hougui 
Published: October 2023

Abstract
With the fast development of computer science, many prediction models based on machine learning methods have been used in the railway industry, which can better predict the random characteristics in track degradation, plan maintenance activities, and eventually meet the requirement of railway transportation. However, the applicability and generality of these models are unclear and the comparative analysis of these models on the random railway track is rare, which makes it hard for railway engineers to choose the most suitable prediction models in practice. In this paper, the track longitudinal level of a section of a railway measured monthly by the rail infrastructure alignment acquisition system for 1.5 years in the Netherlands has been analysed using multiple mathematical methods. After that, three machine learning-based prediction models were developed to predict the future development of the track longitudinal level, using support vector machine, grey model and deep neural network. The prediction performance of different prediction models is compared and discussed. Recommendations for choosing prediction models and further development are provided.
Application of laser-induced breakdown spectroscopy for the analysis of pig bones
Authors: Marković Milica , Ranković Dragan , Savić Marjetka , Perović Ivana , Milovanović Dubravka , Kuzmanović Miroslav 
Published: October 2023

Abstract
An application of the laser-induced breakdown spectroscopy technique (LIBS) for the elemental analysis of pig shoulder bone samples is reported. Measurements were performed using a compact laboratory-made LIBS system based on the TEA CO2 laser and time-integrated signal detection. The recorded spectra consisted of well-defined atomic and single-charged ionic lines of bone matrix elements (Ca and P) and other constituent elements (e.g. Mg, Zn, Na, K, and C) with a good signal-to-noise ratio suitable for chemical analysis. Based on the elemental composition of bone samples measured by inductively coupled plasma emission spectroscopy, limits of detection (LOD) of LIBS analysis were estimated for several elements. LOD ranged from 2.2 ppm (K) to 16 ppm (Zn). Carbon and Hα spectral lines were used for plasma diagnostics by measuring Stark widths. Optical profilometry was used to assess the capability of LIBS for depth profile analysis. For laser fluence between 13.0 and 18.2 J cm−2, the ablation rate per pulse ranged from 6 to 10 μm.