bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

Abstract
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

Abstract
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

Abstract
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

Abstract
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

Abstract
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

Abstract
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

Abstract
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

Abstract
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

Abstract
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

Abstract
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

Abstract
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.
The Relationship Between Perceived Uncontrollable Mortality Risk and Health Effort: Replication, Secondary Analysis, and Mini Meta-analysis
Authors: Brown Richard , Pepper Gillian 
Published: January 2024

Abstract

Background
The Uncontrollable Mortality Risk Hypothesis (UMRH) states that those who are more likely to die due to factors beyond their control should be less motivated to invest in preventative health behaviors. Greater levels of perceived uncontrollable mortality risk (PUMR) have been associated with lower health effort in previous research, but the topic remains understudied.

Purpose
To examine the evidence for the UMRH by replicating a previous study investigating the effects of PUMR on social gradients in health effort, and conducting a mini meta-analysis of the overall relationship between PUMR and health effort.

Methods
We replicated Pepper and Nettle (2014), who reported a negative relationship between PUMR and health effort, and that the positive effect of subjective socioeconomic position on health effort was explained away by PUMR. We also compared the predictive effect of PUMR on health effort with that of dimensions from the Multidimensional Health Locus of Control scale—a well-used measure of a similar construct, which is frequently found to be associated with health behavior. Finally, we conducted a mini meta-analysis of the relationship between PUMR and health effort from the available research.

Results
PUMR was negatively associated with health effort, and mediated 24% of the total effect of subjective socioeconomic position on health effort, though this mediation effect was weaker than in Pepper and Nettle (2014). PUMR was shown to be a substantially stronger predictor of health effort than the relevant dimensions of the MHLC scale. Finally, our mini meta-analysis indicated a medium-sized negative relationship between PUMR and health effort.

Conclusions
Our findings offer support for the role of PUMR in mediating the relationship between subjective socioeconomic position and health effort. The results highlight the importance of measuring and understanding PUMR in studying socioeconomic inequalities in health behaviors. We discuss potential areas for future research, including determining the accuracy of PUMR, investigating influential cues, examining the role of media in shaping risk perceptions, and understanding individuals’ awareness of their own perceptions of mortality risk.