bluuebunny/crossref_metadata_2025_split huggingface dataset:
The power of protest in the media: examining portrayals of climate activism in UK news
Authors: Scheuch Eric G. , Ortiz Mark , Shreedhar Ganga , Thomas-Walters Laura 
Published: February 2024

AbstractOver the last several years, the United Kingdom has seen a wave of environmental movements demanding action on the climate crisis. While aligned in their goals, the groups undertaking this activism often diverge on the question of tactics. One such divergence occurred in January 2023, when Extinction Rebellion (XR) declared “We Quit”, ending actions that were disruptive to the general public. Peer groups Just Stop Oil and Animal Rising continued disruptive actions, viewing them as the best way to gain media coverage for their causes. Despite the urgency of addressing climate change and the growing prominence of direct action in British life, little research has examined how the news media covers and reacts to different climate actions. News media plays a vital role in influencing the public’s perception of the climate crisis and “appropriate” responses. We assembled a unique dataset of British news coverage of climate actions over a 7 month period, covering both before and after XR’s “We Quit” statement. Our results reveal that conservative publications cover climate actions more unfavorably and more inaccurately than other publications. Legal actions are generally covered more favorably than illegal ones in both conservative and non-conservative outlets and receive more coverage. Actions that target industry attract more coverage than those that target other actors, while actions that target the public are covered more favorably than those that do not. These results contribute to the scholarly debates surrounding the interaction between social movements and news media, especially on how different strategies potentially influence the extent and affective nature of coverage. They have implications for strategies adopted by climate advocates, depending on whether their goal is merely to draw attention to an issue or if it is to generate positive coverage.
WindCline: Sloping wind tunnel for characterizing flame behavior under variable inclines and wind conditions
Authors: Makowiecki Amanda S. , Coburn Sean C. , Sheppard Samantha , Bitterlin Brendan , Breda Timothy , Dawlatzai Abdul , Giannella Robert , Jaros Alexandra , Kling Christopher , Kolb Eric , Lapointe Caelan , Simons-Wellin Sam , Michelsen Hope A. , Daily John W. , Hannigan Michael , Hamlington Peter E. , Farnsworth John , Rieker Gregory B. 
Published: February 2024

Developing accurate computational models of wildfire dynamics is increasingly important due to the substantial and expanding negative impacts of wildfire events on human health, infrastructure, and the environment. Wildfire spread and emissions depend on a number of factors, including fuel type, environmental conditions (moisture, wind speed, etc.), and terrain/location. However, there currently exist only a few experimental facilities that enable testing of the interplay of these factors at length scales &lt;1 m with carefully controlled and characterized boundary conditions and advanced diagnostics. Experiments performed at such facilities are required for informing and validating computational models. Here, we present the design and characterization of a tilting wind tunnel (the “WindCline”) for studying wildfire dynamics. The WindCline is unique in that the entire tunnel platform is constructed to pivot around a central axis, which enables the sloping of the entire system without compromising the quality of the flow properties. In addition, this facility has a configurable design for the test section and diffuser to accommodate a suite of advanced diagnostics to aid in the characterization of (1) the parameters needed to establish boundary conditions and (2) flame properties and dynamics. The WindCline thus allows for the measurement and control of several critical wildfire variables and boundary conditions, especially at the small length scales important to the development of high-fidelity computational simulations (10–100 cm). Computational modeling frameworks developed and validated under these controlled conditions can expand understanding of fundamental combustion processes, promoting greater confidence when leveraging these processes in complex combustion environments.
The sulfur dioxide–water complex: CCSD(T)/CBS anharmonic vibrational spectroscopy of stacked and hydrogen-bonded dimers
Authors: Hui Wallace C. H. , Lemke Kono H. 
Published: February 2024

This study examines the structures, energies, and IR vibrational spectra of the sulfur dioxide–water SO2(H2O) complexes by employing coupled cluster theory CCSD(T) with Dunning style correlation consistent type basis sets aug-cc-pV(n+d)Z (n = D, T, Q, 5). Complete basis set (CBS) extrapolations have been carried out to predict binding energies for two isomers of the SO2(H2O) complex: a stacked global minimum (1A) structure and a hydrogen-bonded local minimum (1B) structure. The CCSD(T)/CBS extrapolation predicts an intermolecular S–O distance rS⋯O = 2.827 Å for the stacked isomer, which is in excellent agreement with an experimental measurement of 2.824 Å [K. Matsumura et al., J. Chem. Phys., 91, 5887 (1989)]. The CCSD(T)/CBS binding energy for the stacked dimer 1A and hydrogen-bonded form 1B is De = −4.37 kcal/mol and De = −2.40 kcal/mol, respectively. This study also employs anharmonic VPT2 MP2/aug-cc-pV(n+d)Z level corrections to CCSD(T)/aug-cc-pV(n+d)Z vibrational frequencies in both forms of SO2(H2O). The anharmonic CCSD(T)/aug-cc-pV(Q+d)Z OH stretching frequencies in the stacked structure 1A are 3743 cm−1 (ν3) and 3647 cm−1 (ν1), and these align well with the recorded IR spectroscopic values of 3745 and 3643 cm−1, respectively [C. Wang et al., J. Phys. Chem. Lett., 13, 5654 (2022)]. If we combine CCSD(T)/aug-cc-pV(n+d)Z De values with VPT2 vibrational frequencies, we obtain a new CCSD(T)/aug-cc-pV(Q+d)Z anharmonic dissociation energy D0 = −3.48 kcal/mol for 1A and D0 = −1.74 kcal/mol for 1B. In summary, the results presented here demonstrate that the application of CCSD(T) calculations with aug-cc-pV(n+d)Z basis sets and CBS extrapolations is critical in probing the structure and IR spectroscopic properties of the sulfur dioxide–water complex.
Pressure-dependent flow enhancement in carbon nanotubes
Authors: Li Hangtong , Ge Zhuan , Aminpour Mohammad , Wen Liaoyong , Galindo-Torres Sergio Andres 
Published: February 2024

It is a known and experimentally verified fact that the flow of pressure-driven nanoconfined fluids cannot be accurately described by the Navier–Stokes (NS) equations with non-slip boundary conditions, and the measured volumetric flow rates are much higher than those predicted by macroscopical continuum models. In particular, the flow enhancement factors (the ratio between the flow rates directly measured by experiments or simulations and those predicted by the non-slip NS equation) reported by previous studies have more than five orders of magnitude differences. We showcased an anomalous phenomenon in which the flow enhancement exhibits a non-monotonic correlation with fluid pressure within the carbon nanotube with a diameter of 2 nm. Molecular dynamics simulations indicate that the inconsistency of flow behaviors is attributed to the phase transition of nanoconfined fluid induced by fluid pressures. The nanomechanical mechanisms are contributed by complex hydrogen-bonding interactions and regulated water orientations. This study suggests a method for explaining the inconsistency of flow enhancements by considering the pressure-dependent molecular structures.
Continuation criterion for solutions to the Einstein equations
Authors: Vazquez Oswaldo , Mondal Puskar 
Published: February 2024

We prove a continuation condition in the context of 3 + 1 dimensional vacuum Einstein gravity in Constant Mean extrinsic Curvature (CMC) gauge. More precisely, we obtain quantitative criteria under which the physical spacetime can be extended in the future indefinitely as a solution to the Cauchy problem of the Einstein equations given regular initial data. In particular, we show that a gauge-invariant H2 Sobolev norm of the spacetime Riemann curvature remains bounded in the future time direction provided the so-called deformation tensor of the unit timelike vector field normal to the chosen CMC hypersurfaces verifies a spacetime L∞ bound. To this end, we implement a novel technique to obtain this refined estimate by using Friedlander’s parametrix for tensor wave equations on curved spacetime and Moncrief’s subsequent improvement. We conclude by providing a physical explanation of our result as well as its relation to the issues of determinism and weak cosmic censorship.
The influence mechanism of leakage inductance and distributed capacitance on nanosecond pulse transformer-type trigger
Authors: Lu Pengfei , Liu Hongshun , Wang Yifan , Liu Luyao , Yan Kuo , Jia Wei , Ali Abdo Ali Mohammed 
Published: February 2024

The pulse trigger generator exerts a significant impact on the Marx generator’s output pulse (OP). In this paper, a pulse transformer (PT)-type trigger device is intended to give a pulse of front steepness below 30 ns, a half-width of more than 300 ns, and a magnitude of 50 kV to a 4 MV Marx generator. A steepening circuit is modeled on the output side of the PT equivalent circuit to reduce the OP front steepness, establishing the model of a closed-core PT-type trigger generator. The influence of distributed capacitance and leakage inductance (parasitic parameters) of the PT winding on the OP magnitude, triggering delay time, and front steepness are analyzed, and the design scheme of the PT is decided accordingly. Then, the pulse trigger generator model is simulated, and the trigger pulses are obtained in accordance with the design index. The OP waveforms are tested using a newly developed pulse trigger device prototype.
Development of a gas jet coupled electron cyclotron resonance ion source for radioactive ion beam
Authors: Bhattacharjee Mahuwa , Giri Chinmay , Masum Syed , Hansda Sunita , Mitra Sulagna , Haque Sanket , Chakraborty Pratanu , Dechoudhury Siddhartha , Ray Ayan , Mondal Manas , Nayan Balram Kumar , Shukla Vinay , Sanyal Dirtha , Bandyopadhyay Arup , Naik Vaishali 
Published: February 2024

A 2.45 GHz electron cyclotron resonance (ECR) ion source coupled to a gas-jet skimmer system has been developed for the online production of radioactive ion beams (RIBs). Using radial injection of gas jet in the ion source, RIBs of 11C1+, 11CO21+, and 11CO1+ have been produced online with beam intensity up to about 9 × 103 particles per second for a 1 µA primary proton beam bombarding a nitrogen gas target. The details of the gas jet coupled ECR ion source and the results for stable isotope beams and RIBs are reported.
Thermal simulation and optimization of a Curie-based thermomagnetic motor harnessing concentrated solar energy
Authors: Afenyiveh Serge Dzo Mawuefa , Adanlete Adjanoh Assiongbon , Douti Dam-Bé Lardja , Pakam Tchilabalo 
Published: February 2024

This work reports on a numerical study of a thermomagnetic motor with the active material being a Nickel (Ni) plate using the Curie effect. The main goal is to use thermal simulation and parameter optimization to increase the motor’s efficiency. With respect to beam width, heat exposure duration, and rotation frequency, the study focuses on multiparametric simulations of a thermomagnetic wheel exposed to a concentrated sun beam. An efficient configuration for real-world application is found using the finite element-based computational tool COMSOL Multiphysics. The outcomes show that, when taking into account n = 5 cycles, the ideal configuration displays parameter settings with the lowest quadratic deviation around the Curie temperature during the thermal excitation process and the lowest quadratic deviation around the ambient temperature during the thermal relaxation process. Furthermore, a cooling method is presented, which includes supporting the active material with an Aluminum (Al) heat sink. In order to speed up the remagnetization of the Curie wheel, this method seeks to decrease heat accumulation and regulate the deposited thermal flux on the Ni plate. We also found that the reduction in quadratic deviation is most pronounced between zAl = 1 mm and zAl = 2 mm. At zAl = 10 mm, the quadratic deviation achieves its lowest value (σθmin=5.65K) at the end of the thermal relaxation process. The results of this study will forward the design of a high-performance thermomagnetic motor for mechanical and electrical applications.
Ultrafast vibrational energy redistribution in cyclotrimethylene trinitramine (RDX)
Authors: Zhang Lingyu , Song Huajie , Yang Yanqiang , Zhou Zhongjun , Zhang Jilong , Qu Zexing 
Published: February 2024

The microscopic mechanism of the energy transfer in cyclotrimethylene trinitramine (RDX) is of particular importance for the study of the energy release process in high-energy materials. In this work, an effective vibrational Hamiltonian based on normal modes (NMs) has been introduced to study the energy transfer process of RDX. The results suggest that the energy redistribution in RDX can be characterized as an ultrafast process with a time scale of 25 fs, during which the energy can be rapidly localized to the –NNO2 twisting mode (vNNO2), the N–N stretching mode (vN–N), and the C–H stretching mode (vC–H). Here, the vNNO2 and vN–N modes are directly related to the cleavage and dissociation of the N–N bond in RDX and, therefore, can be referred to as “active modes.” More importantly, we found that the energy can be rapidly transferred from the vC–H mode to the vNNO2 mode due to their strong coupling. From this perspective, the vC–H mode can be regarded as an “energy collector” that plays a pivotal role in supplying energy to the “active modes.” In addition, the bond order analysis shows that the dissociation of the N–N bonds of RDX follows a combined twisting and stretching path along the N–N bond. This could be an illustration of the further exothermic decomposition triggered by the accumulation of vibrational energy. The present study reveals the microscopic mechanism for the vibrational energy redistribution process of RDX, which is important for further investigation of the energy transfer process in high-energy materials.
The ultraviolet and vacuum ultraviolet absorption spectrum of gamma-pyrone; the singlet states studied by configuration interaction and density functional calculations
Authors: Palmer Michael H. , Hoffmann Søren Vrønning , Jones Nykola C. , Coreno Marcello , de Simone Monica , Grazioli Cesare , Aitken R. Alan , Perrault Loëlia , Patterson Iain L. J. 
Published: February 2024

A synchrotron based vacuum ultraviolet absorption spectrum for γ-pyrone has been interpreted in terms of singlet excited electronic states using a variety of coupled cluster, configuration interaction, and density functional calculations. The extremely weak spectral onset at 3.557 eV shows eight vibrational peaks, which following previous analyses, are attributed to a forbidden 1A2 state. A contrasting broad peak with a maximum at 5.381 eV has a relatively high cross-section of 30 Mb; this arises from three overlapping states, where a 1A1 state dominates over progressively weaker 1B2 and 1B1 states. After fitting the second band to a polynomial Gaussian function and plotting the regular residuals over 20 vibrational peaks, we have had limited success in analyzing this fine structure. However, the small separation between these three states clearly shows that their vibrational satellites must overlap. Singlet valence and Rydberg state vibrational profiles were determined by configuration interaction using the CAM-B3LYP density functional. Vibrational analysis using both the Franck–Condon and Herzberg–Teller procedures showed that both procedures contributed to the profiles. Theoretical Rydberg states were evaluated by a highly focused CI procedure. The superposition of the lowest photoelectron spectral band on the vacuum ultraviolet spectrum near 6.4 eV shows that the 3s and 3p Rydberg states based on the 2B2 ionic state are present; those based on the other low-lying ionic state (X2B1) are destroyed by broadening; this is a dramatic extension of the broadening previously witnessed in our studies of halogenobenzenes.
Electron transfer in a crystalline cytochrome with four hemes
Authors: Parson William W. , Huang Jingcheng , Kulke Martin , Vermaas Josh V. , Kramer David M. 
Published: February 2024

Diffusion of electrons over distances on the order of 100 μm has been observed in crystals of a small tetraheme cytochrome (STC) from Shewanella oneidensis [J. Huang et al. J. Am. Chem. Soc. 142, 10459–10467 (2020)]. Electron transfer between hemes in adjacent subunits of the crystal is slower and more strongly dependent on temperature than had been expected based on semiclassical electron-transfer theory. We here explore explanations for these findings by molecular-dynamics simulations of crystalline and monomeric STC. New procedures are developed for including time-dependent quantum mechanical energy differences in the gap between the energies of the reactant and product states and for evaluating fluctuations of the electronic-interaction matrix element that couples the two hemes. Rate constants for electron transfer are calculated from the time- and temperature-dependent energy gaps, coupling factors, and Franck–Condon-weighted densities of states using an expression with no freely adjustable parameters. Back reactions are considered, as are the effects of various protonation states of the carboxyl groups on the heme side chains. Interactions with water are found to dominate the fluctuations of the energy gap between the reactant and product states. The calculated rate constant for electron transfer from heme IV to heme Ib in a neighboring subunit at 300 K agrees well with the measured value. However, the calculated activation energy of the reaction in the crystal is considerably smaller than observed. We suggest two possible explanations for this discrepancy. The calculated rate constant for transfer from heme I to II within the same subunit of the crystal is about one-third that for monomeric STC in solution.
Field-programmable-gate-array based hardware platform for nitrogen-vacancy center based fast magnetic imaging
Authors: Liang Kaiqing , Zhu Mingdong , Qin Xi , Meng Ziqing , Wang Pengfei , Du Jiangfeng 
Published: February 2024

A nitrogen-vacancy center based scanning magnetic microscope can be used to characterize magnetics at the nanoscale with high sensitivity. This paper reports a field-programmable-gate-array based hardware system that is designed to realize control and signal readout for fast scanning magnetic imaging with a nitrogen-vacancy center. A 10-channel 1 Msps @ 20 bit analog signal generator, a 12-channel 50 ps resolution pulse generator, a 300 Msps @ 16 bit lock-in amplifier with proportional integral derivative control function, and a 4-channel 200 Msps counter are integrated on the platform. A customized acceleration algorithm is realized with the re-configurable field-programmable-gate-array chip to accelerate the imaging speed of the nitrogen-vacancy system, and the experimental results prove that the imaging efficiency can be accelerated by five times compared to the system without the acceleration algorithm. The platform has considerable potential for future applications of fast scanning magnetic imaging.
Structural and Na-ion diffusion behavior of O3/P3/P2-type NaNi1/3Mn1/3Fe1/3O2 cathode for Na-ion batteries from first-principles study
Authors: Su Lei , Sun Baozhen , Wu Musheng , Liu Gang , Xu Bo , Ouyang Chuying 
Published: February 2024

A layered sodium-ion battery cathode, O3/P3/P2-type NaNi1/3Mn1/3Fe1/3O2, has been systematically investigated by first-principles density functional theory to explore the detailed structural and Na-ion diffusion behavior during desodiation. Our results suggest that the (NaO6) spacing is greatest in the P3 phase and lowest in the O3 phase, with the P2 phase exhibiting intermediate spacing. During desodiation, the intermediate stages have a greater (NaO6) spacing than the initial and final stages. The great (NaO6) spacing facilitates the formation of the P3 phase, resulting in the structural evolution of NaxNi1/3Mn1/3Fe1/3O2 from the O3 to the P3 phase at x ≈ 0.59, finally reaching the O3 structure again at x ≈ 0.12. The electronic structure clearly proves that both Ni and Fe are active in O3/P3/P2-type NaxNi1/3Mn1/3Fe1/3O2. Ni2+ is oxidized to Ni3+ as Na content decreases from x = 1 to x = 0.66, then further oxidized to Ni4+ at x = 0.33, and finally, Fe3+ → Fe4+ oxidation occurs at x = 0. In the Na ion diffusion behavior, the order of the barrier is O3 (0.82 eV) &gt; P2 (0.53 eV) &gt; P3 (0.35 eV) at the initial stage, whereas it is O3 (0.53 eV) &gt; P3 (0.21 eV) &gt; P2 (0.16 eV) at a highly desodiated stage. The former can be traced back to the (NaO6) spacing, but the latter is related to the different Na sites. Our results thus provide a factor of the structural evolution and Na ion diffusion barrier by considering (NaO6) width and Na site changes during desodiation.
The preparation and properties of photocatalytic composites based on palygorskite/molybdenum disulfide
Authors: Tian Weidong , Wu Limei , Huang Ritong , Wang Aiqin , Lu Yushen , Tang Ning , Gao Lili 
Published: February 2024

The pollution problem resulting from advancements in science and technology is increasingly severe, particularly concerning organic pollution. Photocatalytic technology is considered one of the most effective methods for treating organic pollution due to its cost-effectiveness, simplicity of operation, high efficiency, and versatility. In this study, palygorskite was purified and extracted using techniques such as ultrasonication, high-speed stirring, centrifugation, and others. Molybdenum disulfide (MoS2) was synthesized in situ on the palygorskite surface through hydrothermal synthesis, resulting in palygorskite/MoS2 nanocomposites. The structure and apparent morphology of the palygorskite/MoS2 composites were analyzed using characterization methods such as transmission electron microscopy, x-ray diffraction, Fourier transform infrared spectroscopy, and others. MoS2 interacted with the hydroxyl groups on the palygorskite surface through amino groups, leading to the dispersion of MoS2 nanosheets on the palygorskite surface, forming a unique nanoflower structure. To assess the photocatalytic degradation performance of palygorskite/MoS2 composites, Rhodamine B was employed as the target pollutant. Under conditions of a pH of 6, a reaction time of 170 min, and a solution concentration of 1500 mg/l, palygorskite/MoS2 composites achieved a Rhodamine B removal amount of 371.73 mg/g. Notably, these composites facilitated the degradation of Rhodamine B into intermediate chain-broken products. The findings of this study hold significant implications for the advancement of clay mineral-based photocatalytic composites and the effective removal of organic pollutants.