bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced nitrobenzene sensing in metal anchored gamma-graphyne: predictions from density functional theory
Authors: Lakshmy Seetha , Kalarikkal Nandakumar , Chakraborty Brahmananda 
Published: September 2023

Abstract
Nitrobenzene (NB), being a toxic industrial effluent, its adsorption performance on pristine and metals (Al, Cu and Sc) anchored 2D graphyne (GY) monolayer was studied systematically via the first principles DFT simulations. The NB was found to be weakly adsorbed on the pristine monolayer with an energy of −0.46 eV due to the long-range van der Waals interactions. The NB was strongly adsorbed on the anchored metal site except for the case of Cu. The adsorption energy calculations suggest that the Al-anchored GY monolayer is excellent for the NB sensing because of the reasonable adsorption energy of −1.18 eV, charge transfer of 0.57 e and attainable recovery time of 2.4 s at 450 K. The work function sensitivity of the Al anchored system towards the NB molecule is 10% higher than the pristine system. Moreover, the ab-initio molecular dynamics simulations have predicted the room temperature structural steadiness of the Al-anchored GY monolayer. Overall, our research suggests that the Al-anchored GY monolayer is promising to adsorb the NB molecules effectively and can be potentially applied as an excellent NB biomolecule sensor.
Efficiency of cathodic arc-grown N-doped TiO2 films for the photocatalytic reduction of Cr(VI) under UV-Vis irradiation
Authors: Kleiman A , Meichtry J M , Xaubet M , Grondona D , Litter M I , Márquez A 
Published: September 2023

Abstract
The photocatalytic activity of undoped and N-doped TiO2 anatase films with different thicknesses prepared by cathodic arc deposition on glass substrates is reported. After TiO2 deposition, the doping of the films was carried out by plasma immersion ion implantation in a nitrogen environment. The composition of the films was studied by x-ray photoelectron spectroscopy, the surface morphology was analyzed by atomic force microscopy and the crystalline structure was examined by x-ray diffraction. The thickness was determined by observing the film cross section with scanning electron microscopy. The transmittance of the films in the UV-Vis range was studied as well. The photocatalytic activity of the films was evaluated through the efficiency in the reduction of Cr(VI) in the presence of ethylenediaminetetraacetic acid under UV-Vis irradiation. N-doped films presented a higher photocatalytic efficiency than undoped films: Cr(VI) reduction after 5 h irradiation augmented from 58% (pure TiO2) to 85% (N-doped TiO2) for films of 300 nm thickness, and from 69% to 85% for films with a thickness of 440 nm. On the other hand, pure TiO2 films of 790 nm thickness were more efficient (99% of Cr(VI) reduction) but the effect of doping on the photocatalytic activity was negligible.
FedSiM: a similarity metric federal learning mechanism based on stimulus response method with Non-IID data
Authors: Wang Shuangzhong , Zhang Ying 
Published: September 2023

Abstract
Federal learning based on parameter sharing under the assumption that the data obey independent identical distribution (IID has already achieved good results in areas such as fault diagnosis. Data collected by the decentralized devices often do not obey IID. However, when faced with the scenario of client data obeying Non-IID distribution, its diagnostic accuracy is usually weak. Based on this, we did an investigation on the mechanism causing this phenomenon and found that it was attributed to the weight shift of the network. Therefore, based on the stimulus response principle, we investigated the network similarity of federal clients under different data distributions and explain the reasons for the weight shift. Firstly, it was pointed out that there are differences in the regions where the network is activated when performing different classification tasks. Then, similarity metric federal learning (FedSiM) was proposed based on the principle that there are differences between the activated regions. Finally, experiments were designed on the Case Western Reserve University bearing failure dataset for different degrees of IID cases. The results show that FedSiM can improve the diagnostic accuracy by 15.8 percentage points in the case of Non-IID, and a few shared FedSiM methods to further improve the accuracy were also given.
An adaptive time–frequency demodulation method and its applications in rolling bearing fault diagnosis
Authors: Yang Huan , Zhang Kun , Jiang Zuhua , Zhang Xiangfeng , Xu Yonggang 
Published: September 2023

Abstract
Rolling bearings are critical and easily damaged components of mechanical equipment. In practical engineering applications, the collected signals typically contain a large amount of noise, which makes fault diagnosis difficult. Based on this, this paper proposes an adaptive time–frequency demodulation method for rolling bearing diagnosis. The proposed method first obtains the complex envelope of the vibration signal in the time–frequency domain using the S transform (ST), and the time–frequency coefficient of ST can be used as the complex envelope, which is proved in detail in this paper. Subsequently, the complex envelope of the optimal slice frequency is obtained by frequency slicing to significantly weaken the interference of irrelevant noise and highlight the fault characteristics. An indicator is proposed to adaptively select an optimal slice frequency component that contains the most fault information. Finally, the slice envelope spectrum of the optimal slice frequency is obtained using Fourier transform for fault diagnosis. The feasibility of the proposed method is verified using the simulated signal. The application results of the bearing inner and outer ring fault experimental signals indicate that the proposed method is more accurate and effective for bearing fault diagnosis. Comparisons with other commonly used methods also verified the superiority of the proposed method.
Microwave emissions from the cold atmospheric helium plasma jet
Authors: Liu Yi , Lin Li , Keidar Michael 
Published: September 2023

Abstract
One of the recently observed effects of plasma in medical applications is the physical effect, suggesting that the electromagnetic (EM) emission of cold atmospheric plasmas can lead to cell membrane oscillations and sensitization to the chemical active ingredient of treatments such as cancer drugs. This is a new aspect that must be considered along with the plasma chemical effects for the future dose definition which is the most urgent research topic of plasma medicine. However, unlike the reactive oxygen and nitrogen species generated from plasma chemistry which is well-known as playing a key role in apoptosis cancer cells, the EM emission power spectrum and emission mechanism are still unquantified. This makes the uncertainty of the physical dosage of the therapy and thus impedes the further understanding and optimization of the plasma therapy. In this paper, we compute the 3D spatial distribution of the power density spectrum of EM emission from a cold atmospheric helium plasma jet. The simulations indicate that the plasma oscillations following the plasma streamer propagation are the main source of EM emission, while the emissions of the bulk current caused by net charge movements and the bremsstrahlung due to charge collisions are negligible. The results are also verified by a microwave power measurement using a heterodyne frequency sweep. These findings will thus fill out the last missing piece of the jigsaw before the plasma medicine community can define the dose in the future.
Corrigendum: Atomic real-space perspective of light-field-driven currents in graphene (2022 New J. Phys.
24 033051)
Authors: Morimoto Yuya , Shinohara Yasushi , Ishikawa Kenichi L , Hommelhoff Peter 
Published: September 2023

Abstract
In the published version of the paper, we made an error in choosing the value of the effective nuclear charge Z in equation (7). The correct value is Z = 4.00. Correcting this does not affect the main claims of the work, namely, the atomic-scale maps of the obtained currents and the Rabi oscillations appearing in the real-space charge densities. We also correct typographical errors in equation (10) and that in the definition of the hopping integral

γ

, and add a normalization constant in equation (7) for better clarity.
Optimal control strategies for a SAIQR model of epidemic disease
Authors: Dadkhah Mahmood 
Published: September 2023

Abstract
In this paper, an extended SIR mathematical model (SAIQR) along with an optimal control strategy is proposed to investigate the prevalence of a hypothetical epidemic. By providing controls and examining suitable strategies for control, the cost of control has been minimized. This is while the infected people have been reduced to a minimum in order to control the epidemic. After the full introduction of the model, while explaining the controls used in it, we will check the dimensions of these controls on different compartments. The simulations performed with the MATLAB software show the effectiveness of the controls applied on the model in the significant reduction of infected people.
Electronic, optical and thermoelectric properties of CaO:F mono-layer: a DFT study
Authors: Salehi Khaled , Arghavaninia Borhan , Rezaeei Sahar 
Published: September 2023

Abstract
Based on density functional theory, structural, electronic, optical and thermoelectric properties of CaO and CaO:F mono-layer compounds have been investigated. Both structures have elastic stability, with Young’s and Shear’s moduli of 57.78 (N/m) and 23.85 (N/m), respectively, which shows the resistance of these compounds against stress and strain. The reduction of Poisson’s ratio with the introduction of F atom indicates the tendency to ionic bonds between atoms, and its magnetic moment reaches to 0.84 μ
B. The CaO compound is a p-type semiconductor with 2.6 eV, and by adding a F atom to it, it has become a half-metal. In the CaO:F mono-layer, we see a red shift in the real- and imaginary-dielectric function compared to the CaO one. At a temperature of 50 K, the Seebeck coefficient is 32 (μVK−1) and at room temperature it reaches 24 (μVK−1), also the figure of merit coefficient at these temperatures is 1.2 and 0.8, which indicates its thermoelectric capability.
Estimation of optimal control for two-level and three-level quantum systems with bounded amplitude
Authors: Li Xikun 
Published: September 2023

Abstract
A systematic scheme is proposed to numerically estimate the quantum speed limit and temporal shape of optimal control in two-level and three-level quantum systems with bounded amplitude. For the two-level system, two quantum state transitions are studied as illustration. Comparisons between numerical and analytical results are made, and deviations are significantly small. For the three-level system, two critical time points are determined with high accuracy, and optimal controls are obtained for different durations. The shape of optimized control field is simple and does not switch frequently, thus are easy to implement in experiment. In addition, we compare our method with the chopped random basis (CRAB), and the performance of our method is much better than that of CRAB. Our scheme is of importance in estimating the quantum speed limit and optimal control for cases in which analytical solution is absent.
The Wigner-Vlasov formalism for time-dependent quantum oscillator
Authors: Perepelkin E E , Sadovnikov B I , Inozemtseva N G , Korepanova A A 
Published: September 2023

Abstract
This paper presents a comprehensive investigation of the problem of a harmonic oscillator with time-depending frequencies in the framework of the Vlasov theory and the Wigner function apparatus for quantum systems in the phase space. A new method is proposed to find an exact solution of this problem using a relation of the Vlasov equation chain with the Schrödinger equation and with the Moyal equation for the Wigner function. A method of averaging the energy function over the Wigner function in the phase space can be used to obtain time-dependent energy spectrum for a quantum system. The Vlasov equation solution can be represented in the form of characteristics satisfying the Hill equation. A particular case of the Hill equation, namely the Mathieu equation with unstable solutions, has been considered in details. An analysis of the dynamics of an unstable quantum system shows that the phase space square bounded with the Wigner function level line conserves in time, but the phase space square bounded with the energy function line increases. In this case the Vlasov equation characteristic is situated on the crosspoint of the Wigner function level line and the energy function line. This crosspoint moves in time with a trajectory that represents the unstable system dynamics. Each such trajectory has its own energy, and the averaging of these energies by the Wigner function results in time-dependent discreet energy spectrum for the whole system. An explicit expression has been obtained for the Wigner function of the 4th rank in the generalized phase space

x
,
p
,

p
̇

,

p
̈

.
FPGA implementation of orthogonal hyperchaotic sequences generator based on the CNN: application in multi-user chaotic communications
Authors: Fennouh Ibrahim , Sadoudi Said , Teguig Djamal , Tanougast Camel 
Published: September 2023

Abstract
In this article, we propose an efficient orthogonal hyperchaotic sequences generator for application in multi-user chaotic communication systems. The proposed generator consists of two blocks. The first block generates binary hyperchaotic sequences of varying lengths using a 6-Dimensional Cellular Neural Network (CNN) system, offering a wide range of sequence length choices. The second block uses an optimized selection method to generate multiple sets of orthogonal sequences with interesting correlation properties. The method is based on the balance and correlation properties, where zero cross-correlation between any two sequences is considered. A FPGA-based implementation of the proposed generator is presented. The hardware architecture is designed in VHDL and deployed on a Xilinx Virtex-6 FPGA ML605 evaluation kit. The generator is then analyzed and compared with the existing generator in terms of logic area consumption, throughput, latency, and randomness quality. The comparative analysis results show the effectiveness of the proposed generator, which can achieve a high throughput, low latency, and successfully pass all NIST statistical tests. Moreover, the generated orthogonal hyperchaotic sequences exhibit promising performance in a multi-user Differential Chaos Shift Keying (MU-DCSK) system, outperforming the Walsh-Hadamard sequences in terms of bit-error rate under various channel conditions.
Multistep design simulation of heterojunction solar cell architecture based on SnS absorber
Authors: Islam M T , Thakur A K 
Published: September 2023

Abstract
We report, a novel multi-step design simulation results on SnS absorber based solar cell architecture with is 4.5 times efficiency enhancement vis-à-vis reported experimental results. It is ascribed to an efficient control over inherent loss mechanism via device design novelty. The multi-step design modification in the device architecture comprised; (a) absorber bandgap widening at the interface, (b) considering donor interfacial defects at the SnS/buffer junction, (c) limiting the presence of the majority carrier at the interface via asymmetric doping at the SnS/buffer interfaces, and (d) employing back surface field at the absorber/back metal contact interface. This design approach resulted in achieving an optimal design configuration that exhibited significant improvements in open circuit voltage (119%), short circuit current (61%), fill factor (25.8%), and efficiency (347.6%) compared to the experimental benchmark. An overall effect of improved parameters, in the modified architecture of the SnS absorber based solar cell, led to substantial enhancement in efficiency close to ∼19% vis-à-vis 4.23% reported in literature.
Antiferromagnetically coupled CoFe/MgO/CoFe stacks
Authors: Ahn Sung–Min 
Published: September 2023

Abstract
Exchange coupling (EC) in as-deposited and annealed Co80Fe20 (CoFe)/MgO/Co80Fe20 (CoFe) for MgO thickness spanning 0.45 to 4.5 nm has been studied. Unlike relevant existing results and theories, antiferromagnetic EC behaviors were observed in annealed CoFe/MgO/CoFe with 2.7-nm MgO insulating barrier. Interestingly, a transition from antiferromagnetic to nearly paramagnetic response to applied magnetic field was found around 520 °C corresponding to Néel temperature of CoFe2O4. Based on grazing incidence x-ray diffraction study, oxide phases of CoO, Co3O4, and CoFe2O4 starts to be built in the interface annealed at 150 °C and then those of CoO, Fe3O4, Fe2O3, and CoFe2O4 are mostly distributed over the interface annealed at 250 °C. This indicates CoO and CoFe2O4 formed at the Co-rich interface act as antiferromagnetic sources giving rise to the exchange-coupled antiferromagnetic/ferromagnetic (AFM/FM) interface and then AFM EC into the CoFe/MgO/CoFe.
Retracted: Numerical study of heat and mass transfer for micropolar fluid flow due to two symmetrical stretchable disks
Authors: Amjad Muhammad , Ramzan Nabeela , Ahmad Shahzad , Ali Haider , Alshehri Mansoor , Shah Nehad Ali 
Published: September 2023

Abstract
In this study, heat transfer is analyzed for an incompressible steady laminar micropolar fluid flow among two symmetrical stretchable disks. The associated partial differential equations (PDEs) are converted into ordinary differential equations (ODEs) through appropriate similarity transformations and then solved numerically by applying the quasi-linearization method along with the finite difference method (FDM). This impact from certain inclusive parameters in the heat transfer and fluid flow is presented schematically. The results are tabulated and depict that the shear stress rises for the upper disk and the opposite trend for the lower disk. It is also noted that a couple stress and heat transfer rates were reduced across the disks. The slip factor enhances the tangential stress on the top disc and it reduces on the bottom disc. Twisting stress decreases where

ϕ

′

η

increases due to the effect of the slip factors.
Phenomenological model of a free-electron laser using machine learning
Authors: Kalitenko A M 
Published: September 2023

Abstract
Free electron lasers (FELs) are used in various fields of scientific research. Programs and methods are created for their design and calibration. The development of machine learning has opened up opportunities for new methods of research and data analysis. This paper presents a technique for building a neural network for analyzing FEL parameters. We collected numerical simulation data of about 2000 configurations, found the optimal architecture and trained a neural network that can analyze several FEL configurations depending on the undulator and the electron beam parameters in a short time. This technique is capable of simulating more complex systems (FEL with helical undulators, etc.) and can be applied to facilities for their optimization.
Bekenstein-Smarr formula and quantization of Kerr black holes
Authors: Li Zhao-Xi , Li Yu-Shan , Jiang Ji-Jian 
Published: September 2023

Abstract
By solving the zero surface equation and studying the black holes law, we derive the equivalent Bekenstein-Smarr formula for Kerr black holes. With the reduced phase space method and canonical transformation, we establish the quantum mechanical model for Kerr black hole which is a standard two-mode simple harmonic oscillator model. With the help of this model, we further derive the spectra of the event horizon area and corresponding eigen wave functions for the Kerr black holes, which are proved that the area of a black hole event horizon is quantized.
Holographic Schwinger effect in an anisotropic background with Gauss-Bonnet corrections*
Authors: Chang 常 Wen-Bin 文彬 , Hou 侯 De-fu 德富 
Published: September 2023

Abstract
Using the anti-de Sitter/conformal field theory (AdS/CFT) correspondence, we study the holographic Schwinger effect in an anisotropic background with the Gauss-Bonnet term. As the background geometry is anisotropic, we consider both cases of the test particle pair and the electric field perpendicular to and parallel to the anisotropic direction. It is shown that the Schwinger effect is enhanced in the perpendicular case when anisotropy rises. In the parallel case, this effect is reversed. Additionally, the potential barrier and the critical electric field in the parallel case are more significantly modified by anisotropy compared to the perpendicular case. We also find that the presence of the Gauss-Bonnet coupling tends to increase the Schwinger effect.
Systematic extraction of the strong absorption distance and Coulomb barrier from elastic scattering*
Authors: Yang 杨 Yun 赟 , Wen 温 Pei-Wei 培威 , Lin 林 Cheng-Jian 承键 , Jia 贾 Hui-Ming 会明 , Yang 杨 Lei 磊 , Ma 马 Nan-Ru 南茹 , Yang 杨 Feng 峰 , Luo 骆 Tian-Peng 天鹏 , Mo 莫 Teng-Huan 腾欢 , Chang 常 Chang 昶 , Duan 段 Hai-Rui 海锐 , Zhang 张 Ming-Hao 明昊 , Huang 黄 Zhi-Jie 志杰 , Yin 尹 Cheng 诚 
Published: September 2023

Abstract
The reduced strong absorption distance

and Coulomb barrier height

are extracted from the quarter-point recipe from a series of experimental elastic scattering angle distributions. The nuclei with different binding energies are systematically studied as the projectile, including the tightly bound, weakly bound, and halo nuclei. It is found that the mean

for halo nuclei is significantly larger than that of tightly and weakly bound nuclei. The complex behavior of

regarding the binding energy and properties of the target is observed for halo nuclei. The linear relationship of the reduced distance with system size may be used to estimate the Coulomb barrier radius

, which is difficult to obtain from fusion reactions. The rule of

concerning the Coulomb parameter z is in agreement with other theoretical barrier laws extracted from the fusion reaction. Furthermore, the reason why the binding energy or deformation has little effect on the linear relationship of

as a function of z is clarified.