bluuebunny/crossref_metadata_2025_split huggingface dataset:
How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?
Authors: Zope Rajendra R. , Yamamoto Yoh , Baruah Tunna 
Published: February 2024

Recently developed locally scaled self-interaction correction (LSIC) is a one-electron SIC method that, when used with a ratio of kinetic energy densities (zσ) as iso-orbital indicator, performs remarkably well for both thermochemical properties as well as for barrier heights overcoming the paradoxical behavior of the well-known Perdew–Zunger self-interaction correction (PZSIC) method. In this work, we examine how well the LSIC method performs for the delocalization error. Our results show that both LSIC and PZSIC methods correctly describe the dissociation of H2+ and He2+ but LSIC is overall more accurate than the PZSIC method. Likewise, in the case of the vertical ionization energy of an ensemble of isolated He atoms, the LSIC and PZSIC methods do not exhibit delocalization errors. For the fractional charges, both LSIC and PZSIC significantly reduce the deviation from linearity in the energy vs number of electrons curve, with PZSIC performing superior for C, Ne, and Ar atoms while for Kr they perform similarly. The LSIC performs well at the endpoints (integer occupations) while substantially reducing the deviation. The dissociation of LiF shows both LSIC and PZSIC dissociate into neutral Li and F but only LSIC exhibits charge transfer from Li+ to F− at the expected distance from the experimental data and accurate ab initio data. Overall, both the PZSIC and LSIC methods reduce the delocalization errors substantially.
Does the immune stimulant Amplimune® modulate humoral and cytokine responses to commercial bovine respiratory disease vaccines in cattle?
Authors: Alexander A. L. , Doyle E. K. , Ingham A. B. , Colditz I. G. , Andronicos N. M. , Hine B. C. , Mahony T. J. 
Published: February 2024

Context Feedlot entry can be a period of stress for cattle due to transportation, altered diets and other influences. Stress can suppress host defence mechanisms. Innate immune stimulants, such as mycobacterial cell-wall fractions, attract attention for the primary objective of enhancing non-specific immune resistance of cattle against microbial diseases during periods of stress-induced susceptibility. These stimulants are also recognised for their capacity to modify responses of the adaptive immune system to vaccines. Aims This study aims to evaluate the potential for mycobacterial cell-wall fractions in Amplimune® to modify adaptive immune responses to the commercial vaccines Rhinogard® (modified live bovine alphaherpesvirus-1 (BoHV-1)) and Bovilis MH + IBR® (inactivated Mannheimia haemolytica and BoHV-1) in yearling cattle during simulated feedlot induction. Methods Fifty-four mixed-sex Angus yearling cattle were transported for 6 h on Day −1 and on Day 0. The cattle were assigned to the following six treatment groups (n = 9/group): Rhinogard plus 2 mL Amplimune, Rhinogard plus 5 mL Amplimune, Bovilis MH + IBR plus 2 mL Amplimune, Bovilis MH + IBR plus 5 mL Amplimune, Rhinogard plus 5 mL saline, and Bovilis MH + IBR plus 5 mL saline. Blood and nasal secretions were sampled at various time points following treatment and antigen-specific antibody (immunoglobulin G) responses to components of the vaccines were assessed. Interferon-γ production by peripheral blood mononuclear cells in response to BoHV-1, Concanavalin A or media only were assessed. Key results No adverse clinical reactions were observed to administration of Amplimune and vaccines. A systemic antibody response to vaccination was observed for the Bovilis MH + IBR vaccine. Vaccine-specific antibody and cytokine responses were not modified by Amplimune. Conclusions Amplimune can be administered at the same time as Rhinogard or Bovilis MH + IBR vaccines, without undesirable effects on specific immune responses to vaccination. Implications The primary interest in using Amplimune is to potentiate non-specific immune defences as an alternative to antibiotics for the prevention and/or treatment of microbial diseases such as bovine respiratory disease in production animals. In view of its adjuvant-like activities, administration of Amplimune might also confer beneficial or detrimental effects on antigen-specific responses of the adaptive immune system to contemporaneous vaccination.
Trajectory of a golf ball on a sloping green
Authors: Cross Rod 
Published: February 2024

Abstract
Calculations are presented on the trajectory of a golf ball that rolls across the inclined surface of a golf green. The ball follows a curved path and comes to a stop at a point displaced at an angle to the initial launch direction. It is shown that the displaced angle is independent of the launch speed but depends on the launch angle and the ratio of the incline angle to the coefficient of rolling friction. The stopping distance is proportional to the launch speed squared. A simple experiment is described to check the calculations.
A structured L-BFGS method and its application to inverse problems
Authors: Mannel Florian , Om Aggrawal Hari , Modersitzki Jan 
Published: February 2024

Abstract
Many inverse problems are phrased as optimization problems in which the objective function is the sum of a data-fidelity term and a regularization. Often, the Hessian of the fidelity term is computationally unavailable while the Hessian of the regularizer allows for cheap matrix-vector products. In this paper, we study an L-BFGS method that takes advantage of this structure. We show that the method converges globally without convexity assumptions and that the convergence is linear under a Kurdyka–Łojasiewicz-type inequality. In addition, we prove linear convergence to cluster points near which the objective function is strongly convex. To the best of our knowledge, this is the first time that linear convergence of an L-BFGS method is established in a non-convex setting. The convergence analysis is carried out in infinite dimensional Hilbert space, which is appropriate for inverse problems but has not been done before. Numerical results show that the new method outperforms other structured L-BFGS methods and classical L-BFGS on non-convex real-life problems from medical image registration. It also compares favorably with classical L-BFGS on ill-conditioned quadratic model problems. An implementation of the method is freely available.
Extrinsic calibration for large FOV based on inverse depth parameterized bundle adjustment
Authors: Zhang Shuiqiang , Yang Da , Gong Haiyang , Xu Zikang , Su Zhilong , Zhang Dongsheng 
Published: February 2024

Abstract
To overcome the reliance on high-precision calibration plates in camera calibration, this paper proposes an extrinsic calibration method suitable for three-dimensional digital image correlation (3D-DIC) in large field of view (FOV). The method combines image feature algorithms with DIC techniques to extract matching point pairs (MPPs) from the left and right images of binocular cameras. These MPPs are then homogenized within the FOV. Next, initial values of the extrinsic parameters are solved based on epipolar constraint theory. Finally, the calibration parameters are nonlinearly optimized using the bundle adjustment method. To achieve stable and reliable numerical optimization in large FOV applications, the calibration control points (CCPs)’ spatial coordinates are represented using inverse depth parameterization. In scenarios where there might be a lack of sufficient CCPs, speckle patterns are artificially introduced to supplement the scene features. However, there is a lack of reliable experimental basis on how to add CCPs within the FOV. Therefore, through simulations, the factors affecting calibration accuracy are analyzed to guide the actual calibration process. The proposed method’s reliability and accuracy in large FOV 3D measurement are verified through experiments.
Ultrasonic penetration method for weld root crack in orthotropic steel decks: differentiation and quantitative recognition
Authors: Xia Junyuan , Yuanzhou Zhiyuan , Ji Bohai , Chen Guorong 
Published: February 2024

Abstract
Weld root crack represents a significant concern in terms of fatigue on orthotropic steel decks (OSDs). This study presents a crack detection method based on ultrasonic penetration signals, to effectively distinguish and quantify cracks in decks. Firstly, based on the principles of sound diffusion and the structural characteristics of OSDs, the parameters were established. Then, the propagation mechanism of ultrasonic waves in decks containing cracks was investigated by finite element analysis. The variations in received signal intensity caused by root-deck and root-weld crack parameters were analyzed and the methods for distinguishing between crack types and determining characteristics were proposed. Finally, experimental tests were conducted on weld root cracks to validate the feasibility of the detection method. The research findings demonstrate that the selected detection parameters adequately meet the requirements for crack detection. By utilizing fitting functions between the transmission signals from two sets of detection parameters and the projected crack length, the method achieves accurate identification of crack length and angle, with an error rate of less than 10%.
A novel performance degradation assessment method for rotating machinery based on the fault information and the dynamic simulation
Authors: Zhang Jianqun , Zhang Qing , Qin Xianrong , Sun Yuantao 
Published: February 2024

Abstract
The performance degradation assessment (PDA) of key components such as gears and rolling bearings is the core technology of prognostics and health management for rotating machinery. Most existing PDA methods may have two deficiencies: (1) the assessment indicator constructed does not consider capturing fault characteristics directly; (2) feature selection is generally based on the measured data of different fault levels, which is difficult to obtain in actual processes; moreover, the selection results lack universality and are difficult to extend to other equipment. To address these issues, this paper proposes a novel PDA method based on fault information and dynamic simulation. First, anomaly detection is performed using four well-known indicators in combination with Mahalanobis distance. Secondly, fault identification is performed using envelope spectrum analysis on anomaly signals to determine the fault type, e.g. gear fault or outer race fault. Thirdly, based on the fault type information, the candidate feature set including fault-domain indicators is selected based on the established dynamic simulation signals to obtain a preliminary assessment vector for the first stage. The stability of the fault domain indicators which capture fault characteristics directly is tested through actual measured normal data. It is used as the second stage of selecting to obtain the assessment vector. Finally, the PDA indicator is calculated based on the assessment vector and Mahalanobis distance. Four experiment case studies demonstrate the proposed PDA method can effectively isolate faults with different defect sizes as well as track the whole performance degradation. The above analysis indicates that the proposed PDA method is expected to be used for the actual rotating machinery.
Prediction of electrical properties of GAAFET based on integrated learning model
Authors: Zhang Xuyan , Chen Siyu , Wang Shulong , Li Jiarui , Chen Dongliang , Li Yuhang , Ma Lan , Chen Shupeng , Liu Hongxia , Lv YuanJie , Xue JunShuai 
Published: February 2024

Abstract
As device feature sizes continue to decrease and fin field effect transistors reach their physical limits, gate all around field effect transistors (GAAFETs) have emerged with larger gate control areas and stackable characteristics for better suppression of second-order effects such as short-channel effects due to their gate encircling characteristics. Traditional methods for studying the electrical characteristics of devices are mostly based on the technology computer-aided design. Still, it is not conducive to developing new devices due to its time-consuming and inefficient drawbacks. Deep learning (DL) and machine learning (ML) have been well-used in recent years in many fields. In this paper, we propose an integrated learning model that integrates the advantages of DL and ML to solve many problems in traditional methods. This integrated learning model predicts the direct current characteristics, capacitance characteristics, and electrical parameters of GAAFET better than those predicted by DL or ML methods alone, with a linear regression factor (R
2) greater than 0.99 and very small root mean square error. The proposed integrated learning model achieves fast and accurate prediction of GAAFET electrical characteristics, which provides a new idea for device and circuit simulation and characteristics prediction in microelectronics.
In-plane anisotropic two-dimensional materials for twistronics
Authors: Kim Hangyel , Kim Changheon , Jung Yeonwoong , Kim Namwon , Son Jangyup , Lee Gwan-Hyoung 
Published: February 2024

Abstract
In-plane anisotropic two-dimensional (2D) materials exhibit in-plane orientation-dependent properties. The anisotropic unit cell causes these materials to show lower symmetry but more diverse physical properties than in-plane isotropic 2D materials. In addition, the artificial stacking of in-plane anisotropic 2D materials can generate new phenomena that cannot be achieved in in-plane isotropic 2D materials. In this perspective we provide an overview of representative in-plane anisotropic 2D materials and their properties, such as black phosphorus, group IV monochalcogenides, group VI transition metal dichalcogenides with 1T′ and Td phases, and rhenium dichalcogenides. In addition, we discuss recent theoretical and experimental investigations of twistronics using in-plane anisotropic 2D materials. Both in-plane anisotropic 2D materials and their twistronics hold considerable potential for advancing the field of 2D materials, particularly in the context of orientation-dependent optoelectronic devices.
Efficient degradation of organics by ultrasonic piezoelectric effect on CuO-BTO/AFC composite
Authors: Feng Haoyang , Zhang Zhi , Deng Hongxiang , Li Sean , Zu Xiaotao , Mei Zongwei 
Published: February 2024

Abstract
The recombination of photoexcited electron–hole pairs greatly limits the degradation performance of photocatalysts. Ultrasonic cavitation and internal electric field induced by the piezoelectric effect are helpful for the separation of electron–hole pairs and degradation efficiency. The activated foam carbon (AFC) owing to its high surface area is often used as the substrate to grow catalysts to provide more reactive active sites. In this work, CuO@BaTiO3 (CuO@BTO) heterostructure is prepared by hydrothermal method on the surface of AFC to investigate the ultrasonic piezoelectric catalysis effect. X-ray diffraction (XRD), Raman spectroscopy, energy dispersive x-ray spectroscopy (EDS) and scanning electron microscopy (SEM) were used to analyze the structure and morphology of CuO-BTO/AFC composite. It is found that the CuO-BTO/AFC composite exhibits excellent piezo-catalytic performance for the degradation of organics promoted by ultrasonic vibration. The CuO-BTO/AFC composite can decompose methyl orange and methylene blue with degradation efficiency as high as 93.9% and 97.6% within 25 min, respectively. The mechanism of piezoelectricity enhanced ultrasound supported catalysis effect of system CuO-BTO/AFC is discussed. The formed heterojunction structure between BTO and CuO promotes the separation of positive and negative charges caused by the piezoelectric effect.
Two-dimensional molybdenum ditelluride waveguide-integrated near-infrared photodetector
Authors: Wang Xinxue , Zeng Guang , Shen Lei , Chen Wei , Du Fanyu , Chen Yu-Chang , Ding Si-Tong , Shi Cai-Yu , Zhang David Wei , Chen Liao , Lu Hong-Liang 
Published: February 2024

Abstract
Low-cost, small-sized, and easy integrated high-performance photodetectors for photonics are still the bottleneck of photonic integrated circuits applications and have attracted increasing attention. The tunable narrow bandgap of two-dimensional (2D) layered molybdenum ditelluride (MoTe2) from ∼0.83 to ∼1.1 eV makes it one of the ideal candidates for near-infrared (NIR) photodetectors. Herein, we demonstrate an excellent waveguide-integrated NIR photodetector by transferring mechanically exfoliated 2D MoTe2 onto a silicon nitride (Si3N4) waveguide. The photoconductive photodetector exhibits excellent responsivity (R), detectivity (D*), and external quantum efficiency at 1550 nm and 50 mV, which are 41.9 A W−1, 16.2 × 1010 Jones, and 3360%, respectively. These optoelectronic performances are 10.2 times higher than those of the free-space device, revealing that the photoresponse of photodetectors can be enhanced due to the presence of waveguide. Moreover, the photodetector also exhibits competitive performances over a broad wavelength range from 800 to 1000 nm with a high R of 15.4 A W−1 and a large D* of 59.6 × 109 Jones. Overall, these results provide an alternative and prospective strategy for high-performance on-chip broadband NIR photodetectors.
Nanotoxicity of two-dimensional nanomaterials on human skin and the structural evolution of keratin protein
Authors: Yin Changji , Yu Lei , Feng Lei , Zhou Joey Tianyi , Du Chunbao , Shao Xiaoshan , Cheng Yuan 
Published: February 2024

Abstract
Two-dimensional (2D) materials have been increasingly widely used in biomedical and cosmetical products nowadays, yet their safe usage in human body and environment necessitates a comprehensive understanding of their nanotoxicity. In this work, the effect of pristine graphene and graphene oxide (GO) on the adsorption and conformational changes of skin keratin using molecular dynamics simulations. It is found that skin keratin can be absorbed through various noncovalent driving forces, such as van der Waals (vdW) and electrostatics. In the case of GO, the oxygen-containing groups prevent tighter contact between skin keratin and the graphene basal plane through steric effects and electrostatic repulsion. On the other hand, electrostatic attraction and hydrogen bonding enhance their binding affinity to positively charged residues such as lysine and arginine. The secondary structure of skin keratin is better preserved in GO system, suggesting that GO has good biocompatibility. The charged groups on GO surface perform as the hydrogen bond acceptors, which is like to the natural receptors of keratin in this physiological environment. This work contributes to a better knowledge of the nanotoxicity of cutting-edge 2D materials on human health, thereby advancing their potential biological applications.
Synthesis of carbon quantum dots/porous aromatic frameworks (CQDs/PAF-45) composites and their enhanced photocatalytic performance
Authors: Liu Xianhao , Timur Meng , Peng Yuyue , Yu Jinsheng , Li Lina 
Published: February 2024

Abstract
Modification and functionalization of porous aromatic framework (PAF) materials have emerged as crucial research directions in various fields. In this study, we employed a hydrothermal method to synthesize a carbon quantum dots (CQDs) solution. By loading different amounts of CQDs onto the surface of PAF-45 material through ultrasonic and hydrothermal treatments, we successfully formed CQDs/PAF-45 composite materials. The introduction of CQDs effectively transformed the hydrophobic nature of PAF-45 into a hydrophilic material, thereby overcoming the challenge of achieving efficient contact between PAF catalysts and reactants in aqueous solutions. In the photocatalytic degradation experiments of Rhodamine B (RhB), tetracycline, CQDs/PAF-45 composite materials surpassed that of the pristine PAF-45 material. Notably, the 1 wt% CQDs/PAF-45 composite material exhibited the highest photocatalytic activity, with degradation efficiencies for Rhodamine B, tetracycline, and phenol approximately 1.4 times, 1.5 times and 1.5 times higher than those of the PAF-45 material, respectively.
CdSe nanostructured thin film by electrophoretic deposition for quantum dots sensitized solar cell
Authors: Kyaw Hay Mar Aung , Ishak Mohamad Nizam , Mohd Noor Ahmad Fauzi , Kawamura Go , Matsuda Atsunori , Yaacob Khatijah Aisha 
Published: February 2024

Abstract
Cadmium selenide (CdSe) quantum dots (QDs) with different size, 2.5 and 3.2 nm, were successfully deposited on mesoporous titanium dioxide (TiO2) (Degussa-P25) nanostructures by electrophoretic deposition method (EPD) at the applied voltage 100 V for 120 s deposition time. In this study, the morphology of CdSe films deposited by EPD and the performance of the film when assembled into a solar cell were investigated. From the field emission scanning electron microscopy cross-section, the thickness of the CdSe nanoparticles with size 2.5 nm films were 3.4 and 3.0 μm for CdSe 3.2 nm nanoparticles film. The structure of 2.5 nm is denser than compare of 3.2 nm CdSe nanoparticles. From UV visible spectroscopy, the band gap calculated for 2.5 nm CdSe nanoparticles is 2.28 eV and for 3.2 nm is 2.12 eV. Photovoltaic characterization was performed under an illumination of 100 mW cm−2. A photovoltaic conversion efficiency of 1.81% was obtained for 2.5 nm CdSe and 2.1% was obtained for 3.2 nm CdSe nanoparticles. This result shows that the photovoltaic efficiency is dependent on CdSe nanoparticle size.
A triple-imaging-modality system for simultaneous measurements of prompt gamma photons, prompt x-rays, and induced positrons during proton beam irradiation
Authors: Yamamoto Seiichi , Watabe Hiroshi , Nakanishi Kohei , Yabe Takuya , Yamaguchi Mitsutaka , Kawachi Naoki , Kamada Kei , Yoshikawa Akira , Miyake Masayasu , Tanaka Kazuo S , Kataoka Jun 
Published: February 2024

Abstract

Objective. Prompt gamma photon, prompt x-ray, and induced positron imaging are possible methods for observing a proton beam’s shape from outside the subject. However, since these three types of images have not been measured simultaneously nor compared using the same subject, their advantages and disadvantages remain unknown for imaging beam shapes in therapy. To clarify these points, we developed a triple-imaging-modality system to simultaneously measure prompt gamma photons, prompt x-rays, and induced positrons during proton beam irradiation to a phantom. Approach. The developed triple-imaging-modality system consists of a gamma camera, an x-ray camera, and a dual-head positron emission tomography (PET) system. During 80 MeV proton beam irradiation to a polymethyl methacrylate (PMMA) phantom, imaging of prompt gamma photons was conducted by the developed gamma camera from one side of the phantom. Imaging of prompt x-rays was conducted by the developed x-ray camera from the other side. Induced positrons were measured by the developed dual-head PET system set on the upper and lower sides of the phantom. Main results. With the proposed triple-imaging-modality system, we could simultaneously image the prompt gamma photons and prompt x-rays during proton beam irradiation. Induced positron distributions could be measured after the irradiation by the PET system and the gamma camera. Among these imaging modalities, image quality was the best for the induced positrons measured by PET. The estimated ranges were actually similar to those imaged with prompt gamma photons, prompt x-rays and induced positrons measured by PET. Significance. The developed triple-imaging-modality system made possible to simultaneously measure the three different beam images. The system will contribute to increasing the data available for imaging in therapy and will contribute to better estimating the shapes or ranges of proton beam.