bluuebunny/crossref_metadata_2025 huggingface dataset:
Conformational preference of 2-(4-methoxyphenyl)ethanol studied by supersonic jet spectroscopy: Intramolecular OH/π interaction
Authors: Nagasawa Hironari , Ogawa Sakuya , Kashihara Wataru , Isozaki Tasuku , Hirata Keisuke , Ishiuchi Shun-ichi , Fujii Masaaki , Suzuki Tadashi
Published: January 2024

A π-type hydrogen bonding between the OH group and the π electron is a crucial factor for the conformational preference of the molecular structure with a flexible group. However, the information on the effect of the substituent on the OH/π interaction is insufficient. The laser-induced fluorescence (LIF) excitation, the dispersed fluorescence (DF), the IR–UV hole-burning, and the IR dip spectra of jet-cooled 2-(4-methoxyphenyl)ethanol were measured for the first time. Almost all bands observed in the spectral region of 35 550–36 500 cm−1 in the LIF excitation spectrum were successfully assigned with the DF and the IR–UV hole-burning spectra coupled with the quantum chemical calculation at M06-2x/6-311G and MP2/6-311G levels. Five conformers were found in the LIF excitation spectrum. The most stable conformer was Ggπ, and the second most stable conformer was Ggπ′ (the trans rotamer of the methoxy group for Ggπ). Ggπ and Ggπ′ had the OH group directed toward the π electron system of the benzene ring. The OH stretching frequency of Ggπ/Ggπ′ of MPE in the IR dip spectra was red-shifted against that of Ggπ of phenylethanol, indicating that the introduction of the methoxy group would enhance the intramolecular OH/π interaction. In addition, the torsional vibration between the benzene ring and the side chain (−CH2CH2OH) (mode 63) was observed in the DF spectra of the Ggπ–00 and Ggπ′–00 band excitation, but their intensities were rather different, resulting from the different orientation of the OH group for each conformer toward the π electron system. The methoxy group would increase the negative charge on the benzene ring and would enhance the intramolecular OH/π interaction through the electrostatic interaction.
In-based coordination polymer-derived carbon nanoribbons with abundant CoP nanoparticles in carbon nanotubes for water oxidation
Authors: Wang Xiaofang , Guo Yuanyuan , Shen Yanqiong , Qian Jinjie
Published: January 2024

The sluggish oxygen evolution reaction (OER) in overall electrocatalytic water splitting poses a significant challenge in hydrogen production. A series of transition metal phosphides are emerging as promising electrocatalysts, effectively modulating the charge distribution of surrounding atoms for OER. In this study, a highly efficient OER electrocatalyst (CoP-CNR-CNT) was successfully synthesized through the pyrolysis and phosphatization of a Co-doped In-based coordination polymer, specifically InOF-25. This process resulted in evenly dispersed CoP nanoparticles encapsulated in coordination polymer-derived carbon nanoribbons. The synthesized CoP-CNR-CNT demonstrated a competitive OER activity with a smaller overpotential (η10) of 295.7 mV at 10 mA cm-2 and a satisfactory long-term stability compared to the state-of-the-art RuO2 (η10 = 353.7 mV). The high OER activity and stability can be attributed to the high conductivity of the carbon network, the abundance of CoP particles, and the intricate nanostructure of nanoribbons/nanotubes. This work provides valuable insights into the rational design and facile preparation of efficient non-precious metal-based OER electrocatalysts from inorganic–organic coordination polymers, with potential applications in various energy conversion and storage systems.
Time-dependent coupled cluster with orthogonal adaptive basis functions: General formalism and application to the vibrational problem
Authors: Højlund Mads Greisen , Zoccante Alberto , Christiansen Ove
Published: January 2024

We derive equations of motion for bivariational wave functions with orthogonal adaptive basis sets and specialize the formalism to the coupled cluster Ansatz. The equations are related to the biorthogonal case in a transparent way, and similarities and differences are analyzed. We show that the amplitude equations are identical in the orthogonal and biorthogonal formalisms, while the linear equations that determine the basis set time evolution differ by symmetrization. Applying the orthogonal framework to the nuclear dynamics problem, we introduce and implement the orthogonal time-dependent modal vibrational coupled cluster (oTDMVCC) method and benchmark it against exact reference results for four triatomic molecules as well as a reduced-dimensional (5D) trans-bithiophene model. We confirm numerically that the biorthogonal TDMVCC hierarchy converges to the exact solution, while oTDMVCC does not. The differences between TDMVCC and oTDMVCC are found to be small for three of the five cases, but we also identify one case where the formal deficiency of the oTDMVCC approach results in clear and visible errors relative to the exact result. For the remaining example, oTDMVCC exhibits rather modest but visible errors.
Degeneration of kernel regression with Matern kernels into low-order polynomial regression in high dimension
Authors: Manzhos Sergei , Ihara Manabu
Published: January 2024

Kernel methods such as kernel ridge regression and Gaussian process regression with Matern-type kernels have been increasingly used, in particular, to fit potential energy surfaces (PES) and density functionals, and for materials informatics. When the dimensionality of the feature space is high, these methods are used with necessarily sparse data. In this regime, the optimal length parameter of a Matern-type kernel may become so large that the method effectively degenerates into a low-order polynomial regression and, therefore, loses any advantage over such regression. This is demonstrated theoretically as well as numerically in the examples of six- and fifteen-dimensional molecular PES using squared exponential and simple exponential kernels. The results shed additional light on the success of polynomial approximations such as PIP for medium-size molecules and on the importance of orders-of-coupling-based models for preserving the advantages of kernel methods with Matern-type kernels of on the use of physically motivated (reproducing) kernels.
Bridging and breaking silos: Transformational governance of the migration–sustainability nexus
Authors: Zickgraf Caroline , Jolivet Dominique , Fry Claudia , Boyd Emily , Fábos Anita
Published: January 2024

Sustainability and migration are typically treated as discrete policy spheres in international, national, and local fora, separated in governance structures and institutions. This results in policy incoherence that hinders just transitions toward more sustainable societies cognizant of mobile realities. This explorative effort identifies the (dis)connections between policy domains using data collected on how the sustainability–migration nexus is governed in four countries with a special emphasis on urban areas: Belgium, the Netherlands, Sweden, and the United States. Results of 73 interviews show that migration and sustainability actors find it challenging to see how they could be working together and that migrants are rarely conceived of as sustainability actors and/or targeted populations of sustainability policy. Despite the cross-sectoral nature of sustainability, it appears that migration and sustainability are sequestered into silos that hinder collaborative actions. Lamenting the existence of silos is not enough to encourage new lines of thinking or practice in how sustainability is governed; therefore, we examine the evidence to ascertain current barriers blocking synergetic governance and the opportunities for change perceived by respondents via three critical elements of transformations toward sustainability: structural, systemic, and enabling conditions. We argue that for sustainability transitions to happen, a wider set of societal actors needs to be included from policy intention to action, but that this transformation may require more than policy integration via horizontal coordination. It demands reflexivity and pluralistic pathways that close vertical gaps between national and municipal levels and diminish structural inequalities as they intersect with migration type and status.
Migration and sustainable development
Authors: Adger William Neil , Fransen Sonja , Safra de Campos Ricardo , Clark William C.
Published: January 2024

To understand the implications of migration for sustainable development requires a comprehensive consideration of a range of population movements and their feedback across space and time. This Perspective reviews emerging science at the interface of migration studies, demography, and sustainability, focusing on consequences of migration flows for nature-society interactions including on societal outcomes such as inequality; environmental causes and consequences of involuntary displacement; and processes of cultural convergence in sustainability practices in dynamic new populations. We advance a framework that demonstrates how migration outcomes result in identifiable consequences on resources, environmental burdens and well-being, and on innovation, adaptation, and challenges for sustainability governance. We elaborate the research frontiers of migration for sustainability science, explicitly integrating the full spectrum of regular migration decisions dominated by economic motives through to involuntary displacement due to social or environmental stresses. Migration can potentially contribute to sustainability transitions when it enhances well-being while not exacerbating structural inequalities or compound uneven burdens on environmental resources.
Fossil evidence sheds light on sexual selection during the early evolution of birds
Authors: Zhou Yibo , Pan Yanhong , Wang Min , Wang Xiaoli , Zheng Xiaoting , Zhou Zhonghe
Published: January 2024

The impact of sexual selection on the evolution of birds has been widely acknowledged. Although sexual selection has been hypothesized as a driving force in the occurrences of numerous morphological features across theropod evolution, this hypothesis has yet to be comprehensively tested due to challenges in identifying the sex of fossils and by the limited sample size.Confuciusornis sanctusis arguably the best-known early avialan and is represented by thousands of well-preserved specimens from the Early Cretaceous Jehol lagerstätte, which provides us with a chance to decipher the strength of sexual selection on extinct vertebrates. Herein, we present a morphometric study ofC. sanctusbased on the largest sample size of this taxon collected up to now. Our results indicate that the characteristic elongated paired rectrices is a sexually dimorphic trait and statistically robust inferences of the sexual dimorphism in size, shape, and allometry that have been established, providing the earliest known sexual dimorphism in avian evolution. Our findings suggest that sexual selection, in conjunction with natural selection, does act upon body size and limb length ratio in early birds, thereby promoting a deeper understanding of the role of sexual selection in large-scale phylogenetic evolution.
In-patient evolution of a high-persister
Escherichia coli
strain with reduced in vivo antibiotic susceptibility
Authors: Parsons Joshua B. , Sidders Ashelyn E. , Velez Amanda Z. , Hanson Blake M. , Angeles-Solano Michelle , Ruffin Felicia , Rowe Sarah E. , Arias Cesar A. , Fowler Vance G. , Thaden Joshua T. , Conlon Brian P.
Published: January 2024

Gram-negative bacterial bloodstream infections (GNB-BSI) are common and frequently lethal. Despite appropriate antibiotic treatment, relapse of GNB-BSI with the same bacterial strain is common and associated with poor clinical outcomes and high healthcare costs. The role of persister cells, which are sub-populations of bacteria that survive for prolonged periods in the presence of bactericidal antibiotics, in relapse of GNB-BSI is unclear. Using a cohort of patients with relapsed GNB-BSI, we aimed to determine how the pathogen evolves within the patient between the initial and subsequent episodes of GNB-BSI and how these changes impact persistence. Using
Escherichia coli
clinical bloodstream isolate pairs (initial and relapse isolates) from patients with relapsed GNB-BSI, we found that 4/11 (36%) of the relapse isolates displayed a significant increase in persisters cells relative to the initial bloodstream infection isolate. In the relapsed
E. coli
strain with the greatest increase in persisters (100-fold relative to initial isolate), we determined that the increase was due to a loss-of-function mutation in the
ptsI
gene encoding Enzyme I of the phosphoenolpyruvate phosphotransferase system. The
ptsI
mutant was equally virulent in a murine bacteremia infection model but exhibited 10-fold increased survival to antibiotic treatment. This work addresses the controversy regarding the clinical relevance of persister formation by providing compelling data that not only do high-persister mutations arise during bloodstream infection in humans but also that these mutants display increased survival to antibiotic challenge in vivo.
A plant virus manipulates the long-winged morph of insect vectors
Authors: Yu Jinting , Zhao Wan , Chen Xiaofang , Lu Hong , Xiao Yan , Li Qiong , Luo Lan , Kang Le , Cui Feng
Published: January 2024

Wing dimorphism of insect vectors is a determining factor for viral long-distance dispersal and large-area epidemics. Although plant viruses affect the wing plasticity of insect vectors, the potential underlying molecular mechanisms have seldom been investigated. Here, we found that a planthopper-vectored rice virus, rice stripe virus (RSV), specifically induces a long-winged morph in male insects. The analysis of field populations demonstrated that the long-winged ratios of male insects are closely associated with RSV infection regardless of viral titers. A planthopper-specific and testis-highly expressed gene,Encounter, was fortuitously found to play a key role in the RSV-induced long-winged morph. Encounter resembles malate dehydrogenase in the sequence, but it does not have corresponding enzymatic activity.Encounteris upregulated to affect male wing dimorphism at early larval stages.Encounteris closely connected with the insulin/insulin-like growth factor signaling pathway as a downstream factor ofAkt, of which the transcriptional level is activated in response to RSV infection, resulting in the elevated expression ofEncounter. In addition, an RSV-derived small interfering RNA directly targetsEncounterto enhance its expression. Our study reveals an unreported mechanism underlying the direct regulation by a plant virus of wing dimorphism in its insect vectors, providing the potential way for interrupting viral dispersal.
A Swedish merger
Authors: Wenner Lena
Published: January 2024

In Sweden, an ongoing sound change is resulting in the pronunciation of short /œ/ and short /ɵ/ becoming more
similar. This chapter examines the relationship between the two sounds in the region of Uppland, situated in Central Sweden.
It summarises the results of three tests conducted to investigate the informants’ production and perception of this sound
change as well as their attitudes towards it. By combining the results of the production test with the informants’
categorisations in the perception test, the original study showed that those informants with a small phonetic distance between
/œ/ and /ɵ/ in their own speech were better at categorising vowel stimuli correctly than the speakers who had a larger
phonetic distance.
Coronalisation in the German multi-ethnolect
Authors: Auer Peter , Duran Daniel
Published: January 2024

We investigate coronalisation, i.e. the fronting of the palatal fricative /ç/, in the multi-ethnolect spoken by
young people in the city of Stuttgart. In contrast to a previous study on the Berlin multi-ethnolect, which claims a merger of
/ç/ with /ʃ/, we only find a weak and unstable tendency among our speakers to reduce the difference between the two dorsal
fricatives /ç/ and /ʃ/, as compared to a group of similar speakers living in a relatively monoethnic neighbourhood. Depending
on the phonetic measurements used, this tendency mostly remains below the threshold of significance. We discuss two
interpretations of these findings, one linked to the ambient German dialects, the other postulating the beginning of regional
differentiation between the German multi-ethnolects.
Towards quantum mechanics on the curved cotangent bundle
Authors: Wagner Fabian
Published: January 2024

The minimal-length paradigm is a cornerstone of quantum gravity phenomenology. Recently, it has been demonstrated that minimal-length quantum mechanics can alternatively be described as an undeformed theory set on a nontrivial momentum space. However, there is no fully consistent formulation of these theories beyond Cartesian coordinates in flat space and, in particular, no position representation. This paper is intended to take the first steps in bridging this gap. We find a natural position representation of the position and momentum operators on general curved cotangent bundles. In an expansion akin to Riemann normal coordinates with curvature in both position and momentum space, we apply the formalism perturbatively to the isotropic harmonic oscillator and the hydrogenic atom. Due to the symmetry of the harmonic oscillator under exchange of positions and momenta, we show that it is impossible to distinguish position- from momentum-space curvature with oscillators alone. Thus, we obtain an instantiation of Born reciprocity on the curved cotangent bundle, i.e. in precisely the way Born originally envisioned. It manifests itself as a symmetry mixing UV and IR physics, reminiscent of T-duality in string theory.
A novel approach for bearings multiclass fault diagnosis fusing multiscale deep convolution and hybrid attention networks
Authors: Li Fule , Zhao Xinlong
Published: January 2024

Insufficient and imbalanced samples pose a significant challenge in bearing fault diagnosis, leading to low diagnosis accuracy. However, the fault characteristics of vibration signals are weak and difficult to extract when faults occur in the early stage. This paper proposes an effective fault diagnosis method that addresses small and imbalanced sample problems under noise interference. First, the number of faulty samples in the form of 1D signals is increased mainly by the sliding split sampling method. The preprocessed data are used to create 2D time–frequency diagrams using the continuous wavelet transform (CWT), which can extract effective features to improve the data quality. Subsequently, the minority samples are oversampled by combining synthetic minority oversampling technique to realize time–frequency conversion augmented oversampling. Moreover, the clustering method and random undersampling method are introduced to prevent the overfitting and underfitting problems respectively. Then, we propose a hybrid attention mechanism to enhance the extraction of effective feature information. This combination, integrating CWT with a multicolumn modified deep residual network, effectively extracts fault characteristics and suppresses noise effects. The experimental results demonstrate the effectiveness of the proposed method by comparison with other advanced methods using two case studies of bearing datasets.
A two-region model for azimuthal striations in an inductively coupled plasma
Authors: Gu Meng-Zhi , Lei Zhi-Cheng , Pu Yi-Kang
Published: January 2024

A two-region discharge model with a perturbation analysis was developed for the azimuthal striations observed in an inductively coupled plasma with an immersed cylindrical coil at pressures of 75–1500 mTorr. This model partitions the discharge area into two distinct regions: a bright region near the coil with intense excitation and ionization processes, and a darker region extending from the boundary of the bright core to the chamber wall. This partition reflects the experimental observation that striations are restricted to the vicinity of the coil and this phenomenon becomes more pronounced with increasing pressure. Through a perturbation analysis, the model indicates that the azimuthal striations manifest only below a critical power threshold, and this threshold decreases with pressure, which aligns with the experimental observations. Additionally, the model-predicted number of striations is in good agreement with the experiment over a wide pressure range.
Impact of CdSeTe and CdSe film deposition parameter on the properties of CdSeTe/CdTe absorber structure for solar cell applications
Authors: Çiriş Ali , Atasoy Yavuz , Tomakin Murat , Karaca Abdullah , Küçükömeroğlu Tayfur , Bacaksız Emin
Published: January 2024

In this study, the effect of depositing CdSeTe and CdTe layers at different substrate temperatures (STs) by evaporation in vacuum on the properties of the CdSeTe/CdTe stacks was investigated. First, CdSeTe layers in stack structure were grown at STs of 150 °C, 200 °C and 250 °C and then CdTe layers on the CdSeTe produced with the optimum temperature were coated at STs of 150 °C, 200 °C and 250 °C. The employing of STs up to 150 °C on both CdSeTe and CdTe films in CdSeTe/CdTe stacks demonstrated the presence of Te and/or oxide phases as well as the alloying, while more stable phase structures at higher temperatures. In the CdSeTe/CdTe stack, the increase in ST of CdSeTe promoted the alloying, while it weakened the alloy in which was applied in CdTe. It was concluded that under the applied experimental conditions, STs of 250 °C and 200 °C with the graded alloying structure, suitable absorption sites, more homogeneous surface morphology for potential solar cell applications would be more suitable for CdSeTe and CdTe, respectively. As a result, the application of ST to CdSeTe or CdTe in the stacks can be used as a tool to control the properties of the stack structure.
A magnetically controlled microstructured surface for three-dimensional droplet manipulation
Authors: Qin Hao , Peng Xianyu , Ji Jiaxin , Li Jing
Published: January 2024

The smart manipulation of droplets has received widespread attention due to its potential applications in many fields. However, it is still challenging to realize robust multidimensional, versatile liquid manipulation using magnetically responsive surfaces. Here, a magnetically controlled surface with a dense array of cone-shaped microstructures is developed by the spray self-assembly method using soft nontoxic materials. The effects of the spray volume and material concentrations on the surface morphology and wettability are systematically investigated. The wettability and adhesion properties of the developed surface can be reversibly switched in the presence of an on/off magnetic field. In situ observation indicated that the driving force acted on the droplet is derived from localized deformation of the microstructures. Moreover, theoretical models of droplet manipulation are proposed to demonstrate the underlying mechanism. Under the actuation of the moving magnetic field, the surface can transport droplets of 1–14 μl in the vertical direction, and the modified superhydrophobic surface can transport droplets of 3–30 μl in the horizontal direction and achieve against-gravity droplet climbing with a volume of 10 μl at a climbing angle of 25°. The environmentally friendly and facilely manufacturable surface presents promising applications in liquid microreactors and the transportation of mixed fluids in biological and chemical research.
An adjustable magnetic type resonant multimodal inertial impact motor
Authors: He Liangguo , Qian An , Li Xinyu , Dong Yuge , Yue Xukang , Wan Zhikai
Published: January 2024

The conventional asymmetric inertial impact motors are driven by using the difference in inertial impact forces in the forward and reverse directions, implemented by using asymmetric drive signals, clamping blocks of different sizes or different materials, etc. An adjustable magnetic force type resonant inertia impact motor has been designed, assembled, and tested. The novel motor features a simple and compact structure, allowing for the attainment of different output performance by adjusting the magnetic force to meet various working requirements, and the reverse motion can be easily achieved by simply altering the orientation of the magnet located at the end of the piezoelectric vibrator, without requiring any additional structure The part of the motor’s structure was simulated and optimized using the finite element analysis software COMSOL6.0, with the first and second order vibration modes selected as the working mode. The experimental platform has been established to verify the working performance of the motor. Experimental results demonstrate that, under excitation voltage of 120 VP–P and frequency of 163 Hz, the maximum speed achieved by the motor prototype is 36.55 mm s−1, with maximum load capacity of 320 g, and under excitation voltage of 40 VP–P and frequency of 928 Hz, the minimum step of the prototype reaching up to 134 nm. The motor proposed in this paper features an innovative asymmetric strong magnetic design, enabling high speed and load through the large amplitude of the piezoelectric vibrator in first-order vibration mode. As the amplitude gradually decreases in second and higher order modes, this motor achieves higher displacement resolution, making it has potential applications in high precision positioning and medical fields.
First principles investigation on optoelectronic and thermoelectric response of nitrides cadmium novel zintl compounds AB2C2 (A=Mg, Ca, Sr, Ba; B = Cd and C= N)
Authors: Khalil Fatima , Ullah Hayat , Alsalmah Hessa A , Murtaza G , Yasin Sadia
Published: January 2024

Novel materials for high efficiency advance devices are critical to investigate. Zintl compounds are widely explored in the recent years because of their direct narrow band gaps, higher optical conductivity and figure of merit required for optimal-optoelectronic and thermoelectric response respectively. Thus, in the current study, the structural, electronic, optical and thermoelectric properties of nitrides cadmium novel Zintl compounds AB2C2 (A=Mg, Ca, Sr, Ba; B=Cd and C= N) having trigonal structure are studied by full potential linearized augmented plane wave method based on density functional and Boltzmann transport theory. The main objective of this project is to provide novel thermo electrical data on Cd-based Zintl compounds, such as nitride cadmium-based compounds. To get the desire results, the exchange correlations with generalized gradient approximation were used to obtain the ground state structure parameters in these compounds. The computed lattice parameters and c/a -ratio increase from the top to down while the bulk-modulus B(GPa) decreases from top to bottom. The modified versions of the Beck-Johnson potential (TB-mBJ) predict that CaCd2N2, SrCd2N2, BaCd2N2 and MgCd2N2 compounds are semiconductors with narrow band gap of 0.18 eV, 0.21 eV, 0.84 eV and 0.07 eV respectively. Based on the optical properties a deep analysis of dielectric constant, refractive index, reflectivity and optical conductivity were carried. Across the entire temperature range, all the compounds exhibit a positive Seebeck coefficient, indicating P-type conduction. The direct energy band gap nature of these compounds with high conductivity in the visible region shows their suitability for optical applications. Also, the figure of merit of these compounds is close to unity which also speaks about the high efficiency for thermoelectric applications.
DFT calculations of the structural, elastic, and electronic properties of (Bi1−xFex)2Te3 chalcogenides
Authors: Arévalo-López E P , Pilo J , Rosas-Huerta J L , Antonio J E , Muñoz H , Benitez-Rico A , Escamilla R , Romero M
Published: January 2024

The crystal structure and elastic and electronic properties of (Bi1−xFex)2Te3 were studied by first-principles calculations within the Density Functional Theory (DFT) scheme. We found that at zero GPa, the lattice parameters for Bi2Te3 are in good agreement with the available experimental and theoretical data. As Fe replaces bismuth, the lattice parameter a increases while c decreases, changing the unit cell volume. According to Born’s structural stability criterion, the system is mechanically stable. Poisson’s ratio suggests a change from brittle to ductile behavior for (Bi1−xFex)2Te3 as iron increases. Also, Poisson’s ratio indicates that there is an ionic-covalent bond for x = 0.00 and behave as a metal as iron content increases. Vickers hardness decreases its value as Fe is introduced in the compound. Band structure calculations show that the results with spin orbit coupling (SOC) and without SOC are in good agreement with the experimental results. With SOC, a direct band gap at the Γ point is obtained with Eg = 0.138 eV concerning the 0.226 eV obtained without SOC. An evident modification of crystal structure in (Bi1−xFex)2Te3 shows a consistent trend, indicating a significant impact of iron incorporation on the structural properties. The electronic properties show a significant transformation with the introduction of iron, Bi2Te3 is characterized by a band gap, through iron doping the electronic structure shows a complete elimination of the band gap, marking a transition from semiconductor towards a conductor-like behavior. Density of states analysis provided insight into these changes, illustrating a modulation of electronic properties dependent on iron content.
The transparency and p-type defects for group IV atoms doped AlP: the hybrid functional study
Authors: Huang Wei , An Qing , Yang Xiaolan , Chen Yanhua , Li Qiang , Wu Qin
Published: January 2024

The electronic structures and optical properties, together with the properties for intrinsic defects and group IV atoms doped AlP are studied by employing the hybrid functional method. Obtained results imply AlP is a promising transparent material, nonstoichiometric AlP is a potential n-type semiconductor. The transition energy level ε(0/-) for C, Si and Ge substituting P are 0.24, 0.33 and 0.48 eV above the valence band maximum (VBM), indicating C substituting P (written as CP) is a shallow p-type defect. With the thermal equilibrium fabricated method, the obvious self-compensation effect exists among the CP and the intrinsic defects, suggesting the non-equilibrium fabricated method, such as, the molecular beam epitaxy fabrication scheme, should be considered to fabricate the p-type CP defect.
Decoupled anisotropic Buchdahl’s relativistic models in f(
R,T
) theory
Authors: Naseer Tayyab , Sharif M
Published: January 2024

This paper constructs three different anisotropic extensions of the existing isotropic solution to the modified field equations through the gravitational decoupling in

f
(
R
,

T
)

theory. For this, we take a static sphere that is initially filled with the isotropic fluid and then add a new gravitational source producing anisotropy in the system. The field equations now correspond to the total matter configuration. We transform the radial metric component to split these equations into two sets characterizing their parent sources. The unknowns comprising in the first set are determined by considering the Buchdahl isotropic solution. On the other hand, we employ different constraints related to the additional gravitational source and make the second system solvable. Further, the constant triplet in Buchdahl solution is calculated by means of matching criteria between the interior and exterior geometries at the spherical boundary. The mass and radius of a compact star LMC X-4 are used to analyze the physical relevancy of the developed models. We conclude that our resulting models II and III are in well-agreement with acceptability conditions for the considered values of the parameters.
Exact theoretical solution and numerical study of thermal analysis of a type of nonlinear temperature-dependent material fin
Authors: Xu Qingyuan , Hu Changlin , Sun Shengwei , Wang Xi , Xu Yi
Published: January 2024

As an essential part of many structures in engineering applications, the influence of fin is necessary. For this reason, studies on temperature fields and thermal properties of fin are essential. In the paper, based on the nonlinear temperature-dependent material, exact solutions for temperature distribution, heat transfer rate, efficiency, and effectiveness of fin are obtained by comprehensively considering different thermal influence parameters. In addition, a three-dimensional solid fin model is established by ABAQUS software, and the secondary development of the HETVAL subroutine is carried out with the help of the FORTRAN language. The numerical simulation results, in some cases, are intuitively shown and compared with the theoretical results. This study provides a comprehensive theoretical basis for future experimental studies, numerical simulation analysis, and engineering practice of fins with different materials.
A new interpolation equation in the ITS-90 subrange from the triple point of water to the freezing point of indium
Authors: Lan Kang , Fang Lide , Wang Ying , Kang Zhiru , Sang Suli
Published: January 2024

For all the subranges above 0.01 °C, other than the interpolation between the triple point of water (TPW) to the melting point of gallium, temperatures on the international temperature scale of 1990 (ITS-90) are specified without the melting point of gallium. This study suggests a new interpolation equation in the subrange from the TPW to the freezing point of indium which is a polynomial of fractional third order with two coefficients to be determined by the measuring values of standard platinum resistance thermometers (SPRTs)’ resistance ratios at the melting point of gallium (W
Ga) and at the freezing point of indium (W
In). A sample set of 30 SPRTs from various countries and laboratories is used to quantify the comparisons between this new interpolation and the ITS-90. Analyses show that the reproducibility is significantly improved compared with the ITS-90 in the same subrange. The peak value of overlapping subrange inconsistencies (SRI) from TPW to the melting point of gallium is reduced from 0.91 mK to 0.21 mK. Both the mean and standard deviation of the SRI peak values for the new equation decrease by approximately a factor of four compared to those of the ITS-90 (mean decreasing form 0.20 mK to 0.05 mK and standard deviation decreasing form 0.32 mK to 0.07 mK). Type 3 non-uniqueness (NU3) determinations of the same subrange have also been looked into with a data set of four SPRTs compared in thermostatic baths using a copper block and the results show that NU3 scales down from a range −0.15 mK–0.25 mK of the ITS-90 to −0.10 mK–0.15 mK of the new interpolation equation. Propagation of Uncertainties investigation shows that the new equation inflates merely 7% the measurement uncertainties of fixed points in a relatively short interval from 30 °C to 60 °C.
Observed winter Barents Kara Sea ice variations induce prominent sub-decadal variability and a multi-decadal trend in the Warm Arctic Cold Eurasia pattern
Authors: Ghosh Rohit , Manzini Elisa , Gao Yongqi , Gastineau Guillaume , Cherchi Annalisa , Frankignoul Claude , Liang Yu-Chiao , Kwon Young-Oh , Suo Lingling , Tyrlis Evangelos , Mecking Jennifer V , Tian Tian , Zhang Ying , Matei Daniela
Published: January 2024

The observed winter Barents-Kara Sea (BKS) sea ice concentration (SIC) has shown a close association with the second empirical orthogonal function (EOF) mode of Eurasian winter surface air temperature (SAT) variability, known as Warm Arctic Cold Eurasia (WACE) pattern. However, the potential role of BKS SIC on this WACE pattern of variability and on its long-term trend remains elusive. Here, we show that from 1979 to 2022, the winter BKS SIC and WACE association is most prominent and statistically significant for the variability at the sub-decadal time scale for 5–6 years. We also show the critical role of the multi-decadal trend in the principal component of the WACE mode of variability for explaining the overall Eurasian winter temperature trend over the same period. Furthermore, a large multi-model ensemble of atmosphere-only experiments from 1979 to 2014, with and without the observed Arctic SIC forcing, suggests that the BKS SIC variations induce this observed sub-decadal variability and the multi-decadal trend in the WACE. Additionally, we analyse the model simulated first or the leading EOF mode of Eurasian winter SAT variability, which in observations, closely relates to the Arctic Oscillation (AO). We find a weaker association of this mode to AO and a statistically significant positive trend in our ensemble simulation, opposite to that found in observation. This contrasting nature reflects excessive hemispheric warming in the models, partly contributed by the modelled Arctic Sea ice loss.
Non-linear modes of global sea surface temperature variability and their relationships with global precipitation and temperature
Authors: Ibebuchi Chibuike Chiedozie , Richman Michael B
Published: January 2024

Sea surface temperature (SST) modes are comprised of variability that arises from inherently nonlinear processes. Historically, a limitation arises from applying linear statistics to define these modes. Accurate depiction of the complex, non-linear nature of SST modes of variability necessitates the specification of a model capable of producing nonlinear patterns. In this study, we apply an artificial neural network algorithm integrated with autoencoders to analyze the seasonal non-linear global SST modes allowing for improved characterization of the modes and their large-scale temperature and precipitation teleconnections. Our results show that during boreal summer, SST cooling over the central to eastern tropical Pacific co-occurs with the Arctic amplification. In recent decades, the negative SST trend in the central to eastern tropical Pacific, combined with the positive trend in the western tropical Pacific is linked to an increase in the amplitude of SST modes associated with the Arctic warming, resulting in warmer temperatures over large portions of the global land, particularly over Greenland. In boreal winter, El Niño Southern Oscillation (ENSO) is the prominent global SST mode. The distinct spatiotemporal patterns of ENSO modes are associated with unique effects on regional land temperature and precipitation. The central Pacific El Niño is more associated with the combination of warm and dry conditions over Western Australia, and the northern part of South America. Conversely, the central to eastern El Niño is more associated with the combination of warm and dry conditions over parts of Southern Africa, and the northern part of South America. The spatiotemporal patterns and trends in the amplitude of the analyzed non-linear global SST modes alongside their regional influences on temperature and precipitation are discussed. The broader impact of this study is on the potential of neural networks in effectively delineating non-linear global SST modes and their associations with regional climates.
Proton relative biological effectiveness for the induction of DNA double strand breaks based on Geant4
Authors: Liu Yuchen , Zhu Kun , Peng Xiaoyu , Luo Siyuan , Zhu Jin , Xiao Wancheng , He Lie , Wang Xiaodong
Published: January 2024

Uncertainties in the relative biological effectiveness (RBE) of proton remains a major barrier to the biological optimization of proton therapy. A large amount of experimental data suggest that proton RBE is variable. As an evolving Monte Carlo code toolkit, Geant4-DNA is able to simulate the initial DNA damage caused by particle beams through physical and chemical interactions at the nanometer scale over a short period of time. This contributes to evaluating the radiobiological effects induced by ionizing radiation. Based on the Geant4-DNA toolkit, this study constructed a DNA geometric model containing 6.32Gbp, simulated the relationship between radiochemical yields (G-values) and their corresponding chemical constructors, and calculated a detailed calculation of the sources of damage and the complexity of damage in DNA strand breaks. The damage model constructed in this study can simulate the relative biological effectiveness (RBE) in the proton Bragg peak region. The results indicate that: (1) When the electron energy is below 400 keV, the yield of OH· account for 18.1% to 25.3% of the total water radiolysis yields. (2) Under the influence of histone clearance function, the yield of indirect damage account for over 72.93% of the yield of DNA strand breaks (SBs). When linear energy transfer (LET) increased from 29.79 (keV/μm) to 64.29 (keV/μm), the yield of double strand breaks (DSB) increased from 17.27% to 32.65%. (3) By investigating the effect of proton Bragg peak depth on the yield of direct DSB (DSBdirect) and total DSB (DSBtotal), the

RBE

D
S
B

t
o
t

and

RBE

D
S
B

d
i
r

levels of cells show that the RBE value of protons reaches 2.2 in the Bragg peak region.
Effects of variable slip length over induced electric potentials in microchannels
Authors: Sánchez G , Méndez F , Ramos E A
Published: January 2024

The exploration of new alternatives in renewable energy has embraced several branches: from solar, hydroelectric, and wind energy on the macro scale, up to those more recently such as to harvest power from some electrokinetic phenomenon, for instance, the well-known electric generation by means of the induced streaming potential process. This electric potential is found in micro and nano scales, where the physicochemical properties of surfaces have fundamental importance, such as the slippage effect. Most works oriented to determine induced electric potential in micro and nanochannels assume constant Navier slip length, which quantifies the hydrophobic degree of the surface. This assumption could overestimate the performance of the so-called electrokinetic batteries. For this reason, it is necessary to enlarge the analysis of variable slip over electrokinetics in micro and nanoscale.

In the present analysis, we develop an analytical procedure to estimate the electric potentials induced in a microchannel by a flowing laminar solution due to osmotic gradients, whose configuration is better known as an electrokinetic forward osmosis battery. Assuming a non-linear dependence of Navier slip as a function of the pressure, we obtain regular perturbative series solutions for velocity, pressure, and the streaming potential. For this purpose, we use the dimensionless decay parameter

ϵ

̃

,

which measures the decrease of slippage due to the pressure at the wall as the perturbation parameter. We conclude that the velocity field has not only a longitudinal component if not also a transverse component normal to the surfaces as a consequence of the variable slippage, showing that the classical assumption of fully developed flow is no longer possible. In addition, our data shows that constant slip overpredicts the electric potentials up to 5% in comparison with the case of exponential slip. Finally, the results show that induced electric potentials are benefited from variable slippage; however, the influence of the decay parameter that appears in the boundary condition (32) associated with the variable slip decreases the induced potentials.
A protective role of urban greenspace on the association between night-time heat and suicide in Seoul, South Korea
Authors: Park Jinah , Moon Jeongmin , Kwon Dohoon , Ji John S , Kim Ho , Kim Yoonhee
Published: January 2024

Suicide, a leading cause of death among the youth, has shown a positive association with high temperatures. However, few studies have explored the association between tropical nights and suicide and the potential role of greenness on this association. We investigated the association between suicide and two hot night indices: hot night duration (HNd) and hot night excess (HNe), representing heat duration and excess heat during night-time. We also explored whether the association was modified by urban greenspace, measured by satellite-derived normalized difference vegetation index (NDVI), across 25 districts in Seoul, South Korea from 2000 to 2020. Based on the multi-district daily time-series data, we performed a space-time-stratified case-crossover analysis with a distributed lag linear model with lags of up to 7 d for HNd and HNe, adjusting for daily mean temperature and relative humidity. We added an interaction term between the hot night index and NDVI to assess the effect modification of greenness. In total, 14 693 suicides were included in this study. The relative risk (RR) of suicide per a 10% increase in HNd was 1.059 (95% CI: 1.017–1.103) in low NDVI areas and 1.031 (95% CI: 0.988–1.075) in high NDVI areas. The RR per a 1 °C increase in HNe was 1.011 (95% CI: 0.998–1.024) and 1.005 (95% CI: 0.992–1.018) in low and high NDVI areas, respectively. Greenspaces have expanded over time in all districts of Seoul, and the risk of suicide for night-time heat decreased over time in both low and high NDVI areas. Our findings suggest that exposure to night-time heat is associated with an increased risk of suicide, but this risk may be mitigated by greater greenspaces in urban areas. Prioritizing development and maintenance of urban greenspaces will be a critical co-benefit strategy for promoting public mental health in changing climates.
Cohomology of line bundles on the incidence correspondence
Authors: Gao Zhao , Raicu Claudiu
Published: January 2024

For a finite dimensional vector space

V
V

of dimension

n
n

, we consider the incidence correspondence (or partial flag variety)

X
⊂

P

V
×

P

V

∨

X\subset \mathbb {P}V \times \mathbb {P}V^{\vee }

, parametrizing pairs consisting of a point and a hyperplane containing it. We completely characterize the vanishing and non-vanishing behavior of the cohomology groups of line bundles on

X
X

in characteristic

p
>
0

p>0

. If

n
=
3

n=3

then

X
X

is the full flag variety of

V
V

, and the characterization is contained in the thesis of Griffith from the 70s. In characteristic

0
0

, the cohomology groups are described for all

V
V

by the Borel–Weil–Bott theorem. Our strategy is to recast the problem in terms of computing cohomology of (twists of) divided powers of the cotangent sheaf on projective space, which we then study using natural truncations induced by Frobenius, along with careful estimates of Castelnuovo–Mumford regularity. When

n
=
3

n=3

, we recover the recursive description of characters from recent work of Linyuan Liu, while for general

n
n

we give character formulas for the cohomology of a restricted collection of line bundles. Our results suggest truncated Schur functions as the natural building blocks for the cohomology characters.