bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation of the properties of photonic crystal resonant cavities based on valley spin reversal
Authors: Zhang Run , Li Zhi , Xu Lei , Zhong Xingli , Lin Zhongxi , Qiu Weibin , Su Hui 
Published: March 2024

Abstract
Resonators have been treated as essential elements in optics because of their capacity to store and enhance light and exhibit a wide range of applications such as semiconductor lasers and optical communication components. In this article, we reveal a new mechanism of light field confinement in an optical cavity composed of different valley photonic crystals. The electromagnetic field of light is localized because of the valley spin states contrasted between the inner and outer regions, which leads a high Q-factor and a small model volume of the resonator. Furthermore, the whispering-gallery-mode modulated vortex phase distribution is demonstrated in the proposed structure, which offers a new method for manipulating the light field. The energy spectrum as well as the light field distributions show the simultaneous appearance of both bulk and edge states. Such effect becomes pronounced or diminished when the domain wall changes, and can be explained by the location of the edge states in the shared bandgap. Our findings offer a novel mechanism of light field confinement and phase modulation, which may pave the way for a new type of topological device and provide broad applications in the areas of micro-lasers, optical communications, and other light-matter interaction systems.
A study on the kinetic arrest of magnetic phases in nanostructured Nd0.6Sr0.4MnO3 thin films
Authors: R S Mrinaleni , Amaladass E P , Sathyanarayana A T , Jegadeesan P , Amirthapandian S , Mani Awadhesh 
Published: March 2024

Abstract
The Nd0.6Sr0.4MnO3 (NSMO) manganite system exhibits a phase transition from paramagnetic insulating (PMI) to ferromagnetic metallic (FMM) state around its Curie temperature T
C = 270 K (bulk). The morphology-driven changes in the kinetically arrested magnetic phases in NSMO thin films with granular and crossed-nano-rod-type morphology are studied. The manganite thin films at low temperatures possess a magnetic glassy state arising from the coexistence of the high-temperature PMI and the low-temperature FMM phases. The extent of kinetic arrest and its relaxation was studied using the ‘cooling and heating in unequal field (CHUF)’ protocol in magnetic and magnetotransport investigations. The sample with rod morphology showed a large extent of phase coexistence compared to the granular sample. Further, with a field-cooling protocol, time-evolution studies were carried out to understand the relaxation of arrested magnetic phases across these morphologically distinct thin films. The results on the devitrification of the arrested magnetic state are interpreted from the point of view of homogeneous and heterogeneous nucleation of the ferromagnetic phase in the paramagnetic matrix with respect to temperature.
Bandgap prediction of non-metallic crystals through machine learning approach
Authors: Barman Sadhana , Dua Harkishan , Sarkar Utpal 
Published: March 2024

Abstract
The determination of bandgap is the heart of electronic structure of any material and is a crucial factor for thermoelectric performance of it. Due to large amount to data (features) that are related to bandgap are now a days available, it is possible to make use of machine learning (ML) approach to predict the bandgap of the material. The study commences by selecting the feature through Pearson correlation study between bandgap and various thermoelectric parameters in non-metallic crystals. Among the 42 parameters available in the dataset, the Seebeck coefficient and its corresponding temperatures show high correlation with the bandgap. With these three selected features we have used different ML models like multilinear regression, polynomial regression, random forest regression and support vector regression to predict the bandgap. Amongst the different ML models considered, random forest regression outperforms the other models to predict the bandgap with R
2 value of 97.55% between actual bandgap and predicted bandgap.
Phase comparison and equation of state for Ta2O5
Authors: Brennan Matthew C , Rehn Daniel A , Huston Larissa Q , Sturtevant Blake T 
Published: March 2024

Abstract
Tantalum pentoxide (Ta2O5) is among the most technologically useful heavy transition metal oxides. Unfortunately, its crystal structure is the subject of long-standing and unresolved disagreement. Among other consequences, this uncertainty has made it impossible to formulate a robust high pressure equation of state for Ta2O5. Here, we report the results of high pressure x-ray diffraction experiments indexed against a comprehensive list of proposed Ta2O5 phases. Five of the proposed phases produce good matches to experimental observations, and the compressibility parameters for these phases are all consistent within uncertainty. This means that regardless of the particular phase chosen, the Ta2O5 equation of state can be described with bulk modulus

K
0

=
138
±
3.68

GPa and pressure derivative

K
0
′

=
1.82
±
0.45

. Combining these experimental results with new density-functional theory calculations allows us to identify the λ phase as the best structural model of Ta2O5 at ambient conditions.
Application of ionic liquid extractant in enhanced separation of 2-propanol-n-hexane azeotrope system
Authors: Li Huanxin , Zhu Bo , Ding Xin 
Published: March 2024

Abstract
2-Propanol and n-hexane are widely used (as) chemical reagents in electronic, pharmaceutical, and chemical industries. An efficient separation of the azeotropic system of 2-propanol-n-hexane is of profound practical significance. By using the conductor-like screening model for real solve (COSMO-RS) predictive model, ionic liquids as extractants for separating the azeotropic system of 2-propanol-n-hexane were evaluated with selectivity coefficients (S) and capacity (C) as the evaluation indexes. Based on the evaluation results, one high-performance extractants named hydroxylamine Cl (C8A19) was selected from 435 kinds of ionic liquids designed by combining 29 kinds of anions and 15 kinds of cations. Moreover, the reliability of the model in predicting the vapor–liquid phase equilibrium behavior of 2-propanol-n-hexane system was verified. Then, the effect of C8A19 on the vapor–liquid phase equilibrium of the 2-propanol-n-hexane system was investigated theoretically and experimentally. The results show that the azeotrope of the system can be broken when the molar fraction of C8A19 is 0.02, denoting that C8A19 can be used for enhanced separation of 2-propanol-n-hexane system. On the basis of the aforementioned study, the selectivity mechanism of the extractant was analyzed from the perspective of microscopic molecular interactions by using the descriptor (σ-profiles) of COSMO-RS. This study provides both theoretical and data support for further designing high-performance ionic liquid extractants and extraction process.
Topological balance of cell distributions in plane monolayers
Authors: Roshal Daria S , Fedorenko Kirill K , Martin Marianne , Baghdiguian Stephen , Rochal Sergei B 
Published: March 2024

Abstract
Most of normal proliferative epithelia of plants and metazoans are topologically invariant and characterized by similar cell distributions according to the number of cell neighbors (DCNs). Here we study peculiarities of these distributions and explain why the DCN obtained from the location of intercellular boundaries and that based on the Voronoi tessellation with nodes located on cell nuclei may differ from each other. As we demonstrate, special microdomains where four or more intercellular boundaries converge are topologically charged. Using this fact, we deduce a new equation describing the topological balance of the DCNs. The developed theory is applied for a series of microphotographs of non-tumoral epithelial cells of the human cervix (HCerEpiC) to improve the image processing near the edges of microphotographs and reveal the topological invariance of the examined monolayers. Special contact microdomains may be present in epithelia of various natures, however, considering the well-known vertex model of epithelium, we show that such contacts are absent in the usual solid-like state of the model and appear only in the liquid-like cancer state. Also, we discuss a possible biological role of special contacts in context of proliferative epithelium dynamics and tissue morphogenesis.
Predicting individuals’ preventive practices against Radon indoor exposure in Saudi Arabia: a cross sectional study
Authors: Almoayad Fatmah , Bin Sauib Kholoud , Alnasserallah Hisah , Hzazzi Rahaf , Obaideen Khaled , Aboul-Enein Basil H 
Published: March 2024

Abstract
Radon, a naturally occurring radioactive gas, poses a significant public health risk. This study aimed to assess indoor radon exposure in Saudi Arabia using the health belief model (HBM) as a framework for understanding and influencing public behaviour regarding the prevention on indoor radon exposure.
A cross-sectional analytical study was conducted involving 803 participants from diverse backgrounds recruited through convenience sampling. The online questionnaire assessed sociodemographics, risk factors, and HBM constructs (perceived susceptibility, barriers, benefits, seriousness, and self-efficacy). Statistical analysis was conducted using SPSS.
Most participants showed neutral perceptions towards susceptibility, severity (82.7% each), benefits (85.2%), and barriers (59.7%) to preventive practices. Only 31.6% had high self-efficacy, with 16.4% practicing good prevention and 44.3% fair. Preventive practices correlated positively with perceived severity, benefits, and self-efficacy, but negatively with risk score and perceived barriers.
The study highlights the need for improved radon prevention practices in Saudi Arabia, focusing on educational campaigns, self-efficacy enhancement, policy support for renters, and better risk communication. These measures are crucial for mitigating radon exposure risks across the population.
New semi-analytical method for fast transcranial ultrasonic field simulation
Authors: Angla C , Chouh H , Mondou P , Toullelan G , Perlin K , Brulon V , De Schlichting E , Larrat B , Gennisson J-L , Chatillon S 
Published: March 2024

Abstract

Objective. To optimize and ensure the safety of ultrasound brain therapy, personalized transcranial ultrasound simulations are very useful. They allow to predict the pressure field, depending on the patient skull and probe position. Most transcranial ultrasound simulations are based on numerical methods which have a long computation time and a high memory usage. The goal of this study is to develop a new semi-analytical field computation method that combines realism and computation speed. Approach. Instead of the classic ray tracing, the ultrasonic paths are computed by time of flight minimization. Then the pressure field is computed using the pencil method. This method requires a smooth and homogeneous skull model. The simulation algorithm, so-called SplineBeam, was numerically validated, by comparison with existing solvers, and experimentally validated by comparison with hydrophone measured pressure fields through an ex vivo human skull. Main results. SplineBeam simulated pressure fields were close to the experimentally measured ones, with a focus position difference of the order of the positioning error and a maximum pressure difference lower than 6.02%. In addition, for those configurations, SplineBeam computation time was lower than another simulation software, k-Wave’s, by two orders of magnitude, thanks to its capacity to compute the field only at the focal spot. Significance. These results show the potential of this new method to compute fast and realistic transcranial pressure fields. The combination of this two assets makes it a promising tool for real time transcranial pressure field prediction during ultrasound brain therapy interventions.
Impact of iodinated oil in proton therapy on relative stopping power of liver post-cTACE
Authors: Shu Jiong , Zhang Jianguang , Jee Kyungwook , Liu LingLing , Hu Man , Huo Wanli , Cui Xiangli , Wang Hongzhi , Lu Hsiao-ming 
Published: March 2024

Abstract

Objective. Conventional transarterial chemoembolization (cTACE) is a common treatment for hepatocellular carcinoma (HCC), often with unsatisfactory local controls. Combining cTACE with radiotherapy shows a promise for unresectable large HCC, with proton therapy preserving healthy liver tissue. However, the proton therapy benefits are subject to the accuracy of tissue relative stopping power (RSP) prediction. The RSP values are typically derived from computed tomography (CT) images using stoichiometric calibration. Lipiodol deposition significantly increases CT numbers in liver regions of post-cTACE. Hence, it is necessary to evaluate the accuracy of RSP in liver regions of post-cTACE. Approach. Liver, water, and iodinated oil samples were prepared. Some liver samples contained iodinated oil. The water equivalent path length (WEPL) of sample was measured through the pullbacks of spread-out Bragg peak (SOBP) depth-dose profiles scanned in a water tank with and without sample in the beam path. Measured RSP values were compared to estimated RSP values derived from the CT number based on the stoichiometric calibration method. Main results. The measured RSP of water was 0.991, confirming measurement system calibration. After removing the RSP contribution from container walls, the pure iodinated oil and liver samples had RSP values of 1.12 and 1.06, while the liver samples mixed with varying oil volumes (5 ml, 10 ml, 15 ml) showed RSP values of 1.05, 1.05 and 1.06. Using the stoichiometric calibration method, pure iodinated oil and liver samples had RSP values of 2.79 and 1.06. Liver samples mixed with iodinated oil (5 ml, 10 ml, 15 ml) had calculated RSP values of 1.21, 1.34, and 1.46. The RSP discrepancy reached 149.1% for pure iodinated oil. Significance. Iodinated oil notably raises CT numbers in liver tissue. However, there is almost no effect on its RSP value. Proton treatment of post-cTACE HCC patients can therefore be overshooting if no proper measures are taken against this specific effect.
Application of helium line intensity ratio spectroscopy to xenon plasma in E × B Penning discharge
Authors: Sekine Hokuto , Diallo Ahmed , Abe Shota , Raitses Yevgeny , Koizumi Hiroyuki 
Published: March 2024

Abstract
We propose the application of helium line intensity ratio spectroscopy in a low-pressure (0.3 mTorr) xenon E × B discharge with an electron temperature of ∼2 eV and a density of

10

10

−

10

11

cm

−
3

. We successfully identified the helium atom line emissions at 388.9, 447.1, 501.6, 504.8, and 706.5 nm with helium pressures of up to ∼20 mTorr. The measured electron temperature, density, and

I

−

V

characteristics of the discharge remained almost constant in all helium pressures in the present experiment, indicating the suitability of the helium gas as a diagnostic gas. The results of helium line intensity ratio spectroscopy using the line emissions at 388.9, 447.1, and 504.8 nm showed fair agreement with the Langmuir probe measurement. Considering the trade-off relationship between the disturbance introduced by the helium gas and the signal-to-noise ratio, we conclude that a helium pressure of approximately 4 mTorr (approximately 13 times the partial pressure of xenon) represents the optimal pressure range for the application of the helium line emission intensity ratio method to this xenon plasma. It is found that the use of the line emissions at 501.6 and 706.5 nm result in a significant disturbance in the helium line intensity ratio method due to the radiation trapping effect.
Magnetic supersolid phases of two-dimensional extended Bose–Hubbard model with spin–orbit coupling
Authors: Pu Dong-Dong , Wang Ji-Guo , Song Ya-Fei , Bai Xiao-Dong 
Published: March 2024

Abstract
We investigate the quantum phases and phase transitions for spin–orbit coupled two-species bosons with nearest-neighbor (NN) interaction in a two-dimensional square lattice using inhomogeneous dynamical Guztwiller mean-field method. Under the effect of spin–orbit coupling and NN interaction, we uncover a rich variety of different magnetic supersolid (SS) phases. In the presence of intraspecies NN interaction, the phase diagram exhibits the phase-twisted double-checkerboard SS (PT-DCSS) and phase-striped double-checkerboard SS (PS-DCSS) phases. For both intra- and interspecies NN interactions, apart from the phase-twisted lattice SS (PT-LSS) and phase-striped lattice SS (PS-LSS) phases, some nontrivial SS phases with interesting properties occur. More importantly, we find that the emergences of these nontrivial SS phases are dependent of the interspecies on-site interaction. To further characterize the SS phases, we also discuss the spin-dependent momentum distributions and magnetic textures. The magnetic textures, such as antiferromagnetic, spiral and stripe orders are shown. Finally, we give the fully analytical insights into the numerical results.
Global analysis of groundwater pumping from increased river capture
Authors: de Graaf Inge E M , Marinelli Bryan , Liu Sida 
Published: March 2024

Abstract
In many regions globally, groundwater overuse exceeds natural replenishment, leading to immediate consequences such as reduced river flows and devastating impacts on freshwater ecosystems. In alluvial aquifers in particular, groundwater pumping contributes to river flow reduction in two significant ways: first, by intercepting water that would naturally discharge into the river, and second, by lowering groundwater levels below the riverbed, causing river water to infiltrate. Despite these critical interactions, large-scale water resources assessments often overlook the relationship between groundwater and surface water, hindering a comprehensive understanding of the consequences of groundwater pumping on both the groundwater and surface water systems. Our study, utilizing a coupled global-scale groundwater–surface water model, reveals that approximately 20% of globally pumped groundwater stems from diminished streamflow, while 16% results from reduced storage. Projections for the end of the century, accounting for climate change, suggest potential increases to 30% from reduced streamflow and a decrease to 12% from reduced storage. Notably, our results highlight that the impact on streamflow is more widespread and linked to smaller pumping rates, contrasting with impacts on storage associated with higher pumping rates. This study shows the crucial need to include groundwater–surface water interactions in large-scale water resources assessments, not only for accurate estimates of freshwater availability but also for a comprehensive understanding of the far-reaching impacts of groundwater overuse related to increasing water demands and climate change.
Three point amplitudes in matrix theory
Authors: Herderschee Aidan , Maldacena Juan 
Published: March 2024

Abstract
We compute the three graviton amplitude in the Banks-Fischler-Shenker-Susskind matrix model for M-theory. Even though the three point amplitude is determined by super Poincare invariance in eleven dimensional M-theory, it requires a non-trivial computation in the matrix model. We consider a configuration where all three gravitons carry non-zero longitudinal momentum. To simplify the problem, we compactify one additional dimension and relate the amplitude to a supersymmetric index computation. We find agreement with the expected answer even at finite values of N.
Selective detection of ascorbic acid by tuning the composition and fluorescence of the cesium lead halide perovskite nanocrystals
Authors: Liu Jin-Zhou , Zhao Rui-Xian , Yin Qian-Wei , Zhang Hai-Chi , Li Rong Sheng , Ling Jian , Cao Qiue 
Published: March 2024

Abstract
Lead halide perovskite nanocrystals (PNCs) have attracted intense attention due to their excellent optoelectronic properties. In this work, a series of water-stable CsPb(Br/I)3 PNCs fluorescent probes were prepared using an anion exchange method. It was found that the PNCs probes could be used to detect ascorbic acid (AA) in water, and interestingly, the FL spectra of the PNCs probes can be adjusted by controlling the concentration of KI in anion exchange to improve the detection selectivity of AA. The high sensitivity and selectivity make CsPb(Br/I)3 PNCs an ideal material for AA sensing. The concentration of AA can be linearly measured in the range from 0.01 to 50 μM, with a detection limit of 4.2 nM. The reason for the enhanced FL of CsPb(Br/I)3 PNCs was studied, and it is considered that AA causes the aggregation of CsPb(Br/I)3 PNCs. This strategy of improving the selectivity of the probe to the substrate by adjusting the spectrum will significantly expand the application of PNCs in the field of analysis and detection.
Оn the aggregation of polycationic photosensitizer upon binding to Gram-negative bacteria
Authors: Romanishkin Igor D , Akhlyustina Ekaterina V , Meerovich Gennady A , Loschenov Victor B , Strakhovskaya Marina G 
Published: March 2024

Abstract
Polycationic photosensitizers (PS) are not susceptible to aggregation in solutions, but their high local concentrations in Gram-negative bacteria can be sufficient for aggregation and reduced effectiveness of antibacterial photodynamic treatment. By measuring fluorescence spectra and kinetics we were able to evaluate the degree of aggregation of polycationic PS ZnPcChol8 in Gram-negative bacteria E. coli K12 TG1. Binding of ZnPcChol8 to E. coli K12 TG1 leads to an appearance of groups of molecules with shorter PS fluorescence lifetime, a decrease in fluorescence intensity and a shift in the fluorescence spectral maximum. However, we evaluated that about 88% of the fluorescing PS molecules in the bacteria were in an unaggregated state, which indicates only a small reduction in the generation of reactive oxygen species.
Nonlinear change of ion-induced secondary electron emission in the κ-Al2O3 surface charging from first-principle modelling
Authors: JIAO 焦 Zhicheng 志成 , ZHU 朱 Mingrui 明睿 , DAI 戴 Dong 栋 , SHAO 邵 Tao 涛 , WANG 汪 Buang 步昂 
Published: March 2024

Abstract
Secondary electron emission (SEE) induced by the positive ion is an essential physical process to influence the dynamics of gas discharge which relies on the specific surface material. Surface charging has a significant impact on the material properties, thereby affecting the SEE in the plasma-surface interactions. However, it does not attract enough attention in the previous studies. In this paper, SEE dependent on the charged surface of specific materials is described with the computational method combining a density functional theory (DFT) model from the first-principle theory and the theory of Auger neutralization. The effect of κ-Al2O3 surface charge, as an example, on the ion-induced secondary electron emission coefficient (SEEC) is investigated by analyzing the defect energy level and band structure on the charged surface. Simulation results indicate that, with the surface charge from negative to positive, the SEEC of a part of low ionization energy ions (such as E
i = 12.6 eV) increases first and then decreases, exhibiting a nonlinear changing trend. This is quite different from the monotonic decreasing tendency observed in the previous model which simplifies the electronic structure. This irregular increase of the SEEC can be attributed to the lower escaped probability of orbital energy. The results further illustrate that the excessive charge could cause the bottom of the conduction band close to the valence band, thus leading to the decrease of the orbital energy occupied by the excited electrons. The nonlinear change of SEEC demonstrates a more realistic situation of how the electronic structure of material surface influences the SEE process. This work provides an accurate method of calculating SEEC from specific materials, which is urgent in widespread physical scenarios sensitive to surface materials, such as increasingly growing practical applications concerning plasma-surface interactions.