bluuebunny/crossref_metadata_2025_split huggingface dataset:
Machine learning enhanced prediction of permittivity of spinel microwave dielectric ceramics compared to traditional C-M calculation
Authors: Liu Xiao-Bin , Su Chang , Huang Qiu-Xia , Yang Sheng-Hui , Zhang Lei , Xie Xiao-Lan , Zhou Huan-Fu 
Published: January 2024

Abstract
Microwave dielectric ceramic (MWDC) is crucial in advancing the development of 5G technology and the communication field. The prediction or calculation of its properties is of great significance for accelerating the design and development of MWDCs. Therefore, the prediction of permittivity of spinel MWDCs based on machine learning was investigated in this work. Firstly, we collected 327 single-phase spinel MWDC entries and constructed feature engineering, which includes feature generation and feature selection (five dominant features, including Mpo, Dar, Mmbe, Aose and Dgnve, were selected from 208 generated features). Next, seven commonly used algorithms were utilized during the training process of machine learning models. The extreme gradient boosting (XGBoost) model shows the best performance, achieving R-squared (R
2) of 0.9095, mean absolute error of 1.02 and root mean square error of 1.96 on the train and test dataset. In addition, the machine learning models, especially the XGBoost model, show enhanced prediction (calculation accuracy) of the permittivity of spinel MWDCs compared to the traditional Clausius–Mossotti equation, which can provide a guide for the design and development of spinel MWDCs applied for wireless communication.
Realization of controllable multifunctionality by interfacial engineering: the case of silicene/hBN van der Waals heterostructure
Authors: Younis M W , Yousaf Masood , Akhter Toheed , Ali Mubashar , Munir Junaid 
Published: January 2024

Abstract
The study demonstrates layer-sliding-mediated controlled interfacial engineering to induce multifunctionality into a van der Waals heterostructure (vdWHS), consisting of two-dimensional (2D) silicene and hexagonal boron nitride (hBN). To manifest the aforementioned strategy, silicene is slided over hBN, and the resulting variations in the physical properties such as interfacial electronic and optical properties of vdWHS are analyzed. A nifty modeling of vdWHS not only identifies the most stable stacking pattern but also minimizes the lattice mismatch between silicene and hBN to 2.97%. After obtaining the most optimal stacking configuration of vdWHS, the position of potassium (K) intercalant at the interface is screened out. Various physical parameters such as binding energy, van der Waals (vdW)-gap and buckling distance (ΔZ) relating to the intercalated system are computed repeatedly along the sliding pathway. The stability of the various K-intercalated stacking patterns is verified by calculating and comparing the total energies with and without vdW contributions. Upon completion of the sliding, calculated vdW-gap with and without vdW contributions increases by 2.7% and 5.6%, respectively. The highest energy barrier encountered throughout the sliding pathway with (without) vdW contributions is 0.84 (0.72) eV. Planar average charge density difference, charge transfer, and interface dipole moment are calculated and analyzed to investigate the variation in interfacial electronic properties resulting from layer-sliding and intercalation. A notable increase (5.86%) in charge transfer from hBN to silicene is seen upon completion of the layer-sliding. Several optical properties associated with the intercalated vdWHS such as real [

ε
1

ω

] and imaginary [

ε
2

ω

] parts of the complex dielectric function, electron energy loss function [

L

ω

], diagonal components of the dielectric tensor [

ε

i
ω

] and optical joint density of states

J

ω

have been examined. Polarizability of un-slided vdWHS is changed significantly due to the layer-sliding, with a reduction of 24.85% and 6.76% for the midway and fully-slided configurations, respectively. Sliding process results in an increase in the optical absorption in the ultraviolet region by 23.14% and 44.18% for the midway and fully-slided configurations as compared with the un-slided vdWHS. Plots relating to

J

ω

indicate that the most probable optical transitions occur at 7.50, 7.66, and 7.43 eV for the initial, middle, and fully-slided configurations, respectively. The suggested layer-sliding technique has a potential to introduce multifunctionality in 2D materials by varying the properties in a controllable and reversible manner.
Convergence of mechanical balance laws for water waves: from KdV to Euler
Authors: Israwi Samer , Kalisch Henrik , Khorbatly Bashar 
Published: January 2024

Abstract
This article takes into account the Korteweg–de Vries (KdV) equation as an approximate model of long waves of small amplitude at the free surface with inviscid fluid. It is demonstrated that the mechanical balance quantities, as defined by the solution of the KdV equation, rigorously approximate those in the Euler system within the

L
∞

space. Furthermore, these approximations are estimated in relation to the parameter

ε

characterizing the long-wave behavior.
Synchronization of Turing patterns in complex networks of reaction–diffusion systems set in distinct domains
Authors: Aziz-Alaoui M A , Cantin Guillaume , Thorel Alexandre 
Published: January 2024

Abstract
We present an innovative complex network of reaction–diffusion systems set in distinct domains, with boundary couplings. The complex network models the evolution of interacting populations living in a heterogeneous and fragmented habitat, whose biological individuals migrate from one patch to another. In our model, the displacements of individuals are described by mixed boundary couplings, involving both the Neumann and Robin boundary conditions, which improve the modeling of migrations by point-wise couplings. We investigate the cases of diffusion in isotropic and anisotropic habitats and establish original sufficient conditions of synchronization in this complex network model, for complete graphs, cyclic graphs and rings of nearest neighbors. In parallel, we apply our theoretical framework to a nonlinear predator–prey model with Leslie–Gower-type functional response and explore numerically the emergence of synchronization on heterogeneous Turing patterns.
Irrationality exponent and convergence exponent in continued fraction expansions
Authors: Song Kunkun , Tan Xiaoyan , Zhang Zhenliang 
Published: January 2024

Abstract
Let

x
∈
(
0
,
1
)

be an irrational number with continued fraction expansion

[

a
1

(
x
)
,

a
2

(
x
)
,
⋯
,

a
n

(
x
)
,
⋯
]

. We give the multifractal spectrum of the irrationality exponent and the convergence exponent of x defined by

v

(
x
)

:
=
sup

{

v
>
0
:

|

x
−

p
q

|

<

1

q
v

for infinitely many

(

q
,
p

)

∈
ℕ
×
ℤ

}

and

τ

x

:=
inf

s
⩾
0
:

∑

n
⩾
1

a
n

−
s

x

<
∞

respectively. To be precise, we completely determine the Hausdorff dimension of

E

α
,
v

=

x
∈

0
,
1

:

τ

x

=
α
,

v

x

=
v

for any

α
⩾
0
,

v
⩾
2

.
A new 2D fluid-MC hybrid approach for simulating nonequilibrium atmospheric pressure plasmas: density distribution of atomic oxygen in radio-frequency plasma jets in He/O2 mixtures
Authors: Vass Máté , Schulenberg David , Donkó Zoltán , Korolov Ihor , Hartmann Peter , Schulze Julian , Mussenbrock Thomas 
Published: January 2024

Abstract
A spatially two dimensional fluid-MC hybrid (fluid-kinetic) simulation method is developed and applied to the COST reference microplasma jet operated in helium with an oxygen admixture of 0.5%, excited by a single frequency voltage waveform with f = 13.56 MHz and

ϕ

rms

=
275

V. The simulation approach is based on a fluid model augmented by a Monte Carlo module that generates electron impact rates for the continuity equations solved by the fluid module. This method is capable of providing the same level of accuracy as PIC/MCC simulations with an agreement within 5%–10% at atmospheric pressure, while being significantly faster (with a speedup factor of 30 for serial to 50 for parallel implementation). The simulation results are compared to previous measurements of atomic oxygen densities (Steuer et al 2021 J. Phys. D: Appl. Phys.
54 355204), and show a very good agreement. It is found that the buildup and saturation of the atomic oxygen density distribution along the jet are due to the interplay of chemical and electron impact reactions as well as of the gas flow. Comparing the simulation results to that of Liu et al 2021 J. Phys. D: Appl. Phys.
54 275204, it is inferred that fluid models where a 2-term BE solver is used, fail to describe the COST jet in an accurate manner due to the underestimation of the electron impact rates.
Lie symmetry analysis, optimal system and exact solutions for variable-coefficients Boiti-Leon-Manna-Pempinelli equation
Authors: Yang Jiajia , Jin Meng , Xin Xiangpeng 
Published: January 2024

Abstract
In this paper, the constant coefficients are extended to variable coefficients in the Boiti-Leon-Manna-Pempinelli(BLMP) equation, and its optimal system, exact solutions, conservation laws are studied. First, the infinitesimal generators for independent variables of the variable-coefficient Boiti-Leon-Manna-Pempinelli(vcBLMP) equation are solved by using the Lie symmetry analysis method. Subsequently, the optimal system of the vcBLMP equation is solved, and then the equations are subjected to similarity reduction, the partial differential equations(PDEs) are gained. Based on these PDEs, the representative equations are converted into ordinary differential equations(ODEs) by traveling wave transformation, and some new exact solutions of vcBLMP equation is obtained by using

G
′

/

G

−

expansion method and tanh-function method, such as the kink solutions, periodic solutions and soliton solutions. According to the obtained solutions, the corresponding images are plotted in order to facilitate the presentation of structural features of the solutions. At the end, the vcBLMP equation is proved to be nonlinear self-adjoint equation and the conservation laws of vcBLMP are solved.
Capacitive compressive stress self-sensing behavior of cement mortar and its dependence on the thickness
Authors: Ozturk Murat 
Published: January 2024

Abstract
Capacitance based compressive stress/strain self-sensing properties and its dependence on thickness is presented for the fist time. Coplanar electrode configuration is used for the electrical measurements and known weights are used to create cyclic stresses on the mortar samples with different thicknesses. Mortar plates with 6 mm, 10 mm and 15 mm thicknesses are produced and capacitance change with stress application is measured with an inductance-capacitance-resistance meter (LCR meter). Capacitance value of the mortar with 6 mm, 10 mm and 15 mm thicknesses are 450 pF, 532 pF and 607 pF, respectively. Capacitance increases as thickness increases. However, stress sensitivities of the mortar with 6 mm, 10 mm and 15 mm thicknesses are measured as 3.1 × 10–6 P−1, 3.1 × 10–7 P−1 and 1.1 × 10–7 P−1. Stress sensitivity decreases with increasing the mortar thickness. While capacitive self-sensing is effective when the mortar thickness is known, capacitive self-sensing is ineffective with varying mortar thickness. This research contributes valuable insights into the practical application of capacitance-based sensing in materials subjected to compressive stresses, highlighting the need for considerations regarding thickness variations in real-world applications such as load monitoring and weighing.
Investigation of a highly-sensitive aluminum-based plasmonic device using antimonene for sensing applications
Authors: Shukla S , Sekhar C B R , Lath A , Arora P 
Published: January 2024

Abstract
Aluminum (Al) has gained popularity for surface plasmon resonance-based applications due to its affordability and compatibility with CMOS technology at the nanoscale. Over angle-interrogation mode, plasmonic interactions occurring at the metal-dielectric junction, are the outcomes of the attenuated total internal reflection phenomenon. Modified Al-based Kretschmann configuration results in phase-matching conditions that are seen as resonant points in the reflection characteristics. In our work, we have engineered an Al-based plasmonic device utilizing Antimonene as a 2D nanomaterial for bio-sensing purposes in the Near-Infrared (NIR) spectral domain. The study investigates the performance of Surface Plasmon Resonance (SPR) based refractive index sensor using different 2D nanomaterials with an optimized Al thickness of 30 nm. A comparative analysis of Al-based Kretschmann configurations in the presence of Graphene, Black Phosphorus, MXene, and Antimonene is presented using engineered intermediate layers. It is observed that the Al-antimonene-based plasmonic device exhibits improved sensing parameters in the NIR optical window.
Shared purity and concurrence of a mixture of ground and low-lying excited states as indicators of quantum phase transitions
Authors: Biswas George , Biswas Anindya , Sen Ujjwal 
Published: January 2024

Abstract
We investigate the efficacy of shared purity, a measure of quantum correlation that is independent of the separability-entanglement paradigm, as a quantum phase transition indicator in comparison with concurrence, a bipartite entanglement measure. The order parameters are investigated for thermal states and pseudo-thermal states, of the systems considered. In the case of the one-dimensional J
1 − J
2 Heisenberg quantum spin model and the one-dimensional transverse-field quantum Ising model, shared purity turns out to be as effective as concurrence in indicating quantum phase transitions. In the two-dimensional J
1 − J
2 Heisenberg quantum spin model, shared purity indicates the two quantum phase transitions present in the model, while concurrence detects only one of them. Moreover, we find diverging finite-size scaling exponents for the order parameters near the transitions in odd- and even-sized systems governed by the one-dimensional J
1 − J
2 model, as had previously been reported for quantum spins on odd- and even-legged ladders. It is plausible that the divergence is related to a Möbius strip-like boundary condition required for odd-sized systems, while for even-sized systems, the usual periodic boundary condition is sufficient.
First-principles study of slag impurity doped Na2Ti3O7 as anode material for Na-ion batteries
Authors: Gao Meng , Chen Haiyuan , Liu Donghua , Niu Xiaobin 
Published: January 2024

Abstract
Na2Ti3O7 (NTO) has attracted significant attention as a promising anode material for sodium-ion batteries (SIBs). However, its practical electrochemical performance is hindered by its inherently low electronic conductivity. To address this limitation, researchers have turned to elemental doping as an effective strategy to enhance the conductivity of NTO electrodes. Interestingly, the process of purifying titanium for NTO synthesis often yields Al and Ca impurities, which can be harnessed as cost-effective dopants. In this study, we employ first-principles calculations to conduct a comprehensive investigation into the structural, electronic, and sodium ion diffusion properties of NTO when doped with Al and Ca, either individually or in combination. Doping system structure has good stability. Our findings reveal that both Al or Ca single-doping Our findings reveal that all the Al and Ca single-doping, and AlCa co-doping transform NTO from semiconducting into metallicity. Notably, the sodium ion migration barriers for Ca single-doping greatly decrease (0.13 eV) compared with that of pristine NTO (0.23 eV), indicating fast ion transport. The insights gained from our research hold promise for the development of cost-effective multi-component anode materials for SIBs.
Optimized design of small sized low noise magnetic shielding cylinder
Authors: Sun Jinji , Zhao Xiuqi , Zhang Xu , Zhang Di , Zhao Zhenkai , Yang Jianzhi , Lu Yan 
Published: January 2024

Abstract
Magnetic shielded cylinder (MSC) is crucial in various applications, especially in the realm of medical weak magnetic signal measurement. However, designing a small volume, low noise MSC is a multi-objective optimization problem, with the objectives conflict with each other. To address the complexity arising from numerous variables in the optimal design of MSC with a small volume and low-noise, this paper proposes an optimal design method based on non-dominated sorting genetic algorithm II (NSGA-II) to realize the optimal design of MSC with a high shielding factor, small volume and low-noise. Firstly, an analytical model for the shielding factor of the MSC is established, and a multi-objective optimization model is given. Then, the NSGA-II algorithm is employed to obtain a series of Pareto frontier optimal solutions. Finally, the efficacy of this method is evaluated through simulation and experimentation. The results reveal that the radial and axial shielding factors of the optimized MSC achieve maximum values of 8.6 × 107 and 9.5 × 106 respectively. Meanwhile, the average axial noise and radial noise of the MSC between 1 and 100 Hz are 22 fT/Hz1/2 and 20 fT/Hz1/2 respectively. Practice has proven that this method can be used to optimize the design of small-volume, low-noise magnetic shields to improve the performance of magnetic shields.
A computational study of TiHfPtZ (Z = Al, Ga, In) quaternary heusler compounds for spintronics applications
Authors: Teli Nazir Ahmad , Mir Showkat Hassan , Sirajuddeen M Mohamed Sheik , Banu I B Shameem 
Published: January 2024

Abstract
First-principles calculations were employed to investigate the structural, phonon, electronic, and magnetic properties of newly designed quaternary Heusler compounds (TiHfPtZ; where Z = Al,Ga,In) for spintronics applications. The phonon dispersion reveals that new quaternary heusler compounds are dynamically stable. Density of states and band structure plots of TiHfPtZ (Z = Al,Ga,In) compounds shows the half-metallic nature with indirect energy band gaps 1.07 eV, 0.92 eV and 0.99 eV at the Fermi level in spin down channel respectively. Each system displays a magnetic moment of 3μ
B, which favors the half-metallic ferromagnetism and follows the Slater Pauling rule Mt = At −24 (Mt: total magnetic moment and At: total number of valence electrons). Moreover, Curie temperature was determined in each cell is 566 K.
Resolving degeneracies in Google search via quantum stochastic walks
Authors: Benjamin Colin , Dudhe Naini 
Published: January 2024

Abstract
The internet is one of the most valuable technologies invented to date. Among them, Google is the most widely used search engine. The PageRank algorithm is the backbone of Google search, ranking web pages according to relevance and recency. We employ quantum stochastic walks (QSWs) with the hope of bettering the classical PageRank (CPR) algorithm, which is based on classical continuous time random walks. We implement QSW via two schemes: only incoherence and dephasing with incoherence. PageRank using QSW with only incoherence or QSW with dephasing and incoherence best resolves degeneracies that are unresolvable via CPR and with a convergence time comparable to that for CPR, which is generally the minimum. For some networks, the two QSW schemes obtain a convergence time lower than CPR and an almost degeneracy-free ranking compared to CPR.
A new model to estimate shallow lake nitrogen removal rate based on satellite derived variables
Authors: Yan Xing , Han Haojie , Li Xiaohan , Huang Jing , Liu Xuemei , Xia Yongqiu , Yan Xiaoyuan 
Published: January 2024

Abstract
Lake nitrogen (N) removal, mainly resulting from bacterial denitrification that converts nitrate (NO3
−) to gaseous N (N2), is important for lake water quality and eutrophication control. However, quantifying lake N removal is challenging due to the high background atmosphere N2 concentration and the heavy burden of field surveys, leading to a decoupling of watershed N management and water quality improvement. Here, we developed and validated an innovative nonlinear model for lake N removal rate estimation by linking the N removal rates with remote sensing-derived variables (chlorophyll-a, chromophoric dissolved organic matter, and lake surface water temperature). The model was validated in shallow eutrophic Lake Taihu in the Yangtze River basin and at the global scale. Based on the new N removal model, we estimated that an annual average of 3.21 × 104 t N yr‒1 was removed in Lake Taihu from 2011 to 2020, accounting for 53%–66% of the total lake N loading. The remaining N loading after denitrification removal in Lake Taihu would be approximately 2.37 mg N l‒1, and 0.79 × 104 t N y‒1 of lake N loading still needs to be removed to meet the target of class IV water quality (1.5 mg N l‒1). This is the first study linking lake N removal in sediment microcosm incubations with reach-scale remote sensing derived variables, providing timely-much insights into lake N removal. This approach can be easily applied in other lakes with satellite derived data, to better understand lake N budget, drivers of eutrophication control, and watershed N management.
Synthesis and mechanistic approach to investigate crystallite size of NbSe2 nanoparticles
Authors: Bharucha Shivani R , Dave Mehul S , Giri Ranjan Kr , Chaki Sunil H , Limbani Tushar A 
Published: January 2024

Abstract
Niobium diselenide (NbSe2) belongs to the class of transition metal dichalcogenides (TMDCs) and exhibits peculiar features such as charge density waves, superconductivity, and periodic crystal lattice distortion. The main focus of the article is the synthesis and characterisation of NbSe2 NPs utilising the wet chemical precursor solution route at room temperature, followed by in-depth x-ray diffraction (XRD) characterisation and analysis using the aforementioned techniques. The EDS result demonstrated that the NbSe2 NPs are devoid of impurities and close to stoichiometry. The sample has a crystalline hexagonal structure with the lattice constants a = b = 3.443Å, c = 12.576 Å, and α = β = 90°, γ = 120°, according to the XRD results. The work emphasises the need of comprehending how lattice strain and crystallite size affect physical attributes. x-ray peak broadening was used to study the epitaxial crystallisation of NbSe2 NPs. Various methods for determining crystallite size, such as the Williamson–Hall (W-H) method, Debye–Scherrer plots, uniform deformation model (UDM), uniform stress deformation model (USDM), uniform deformation energy density model (UDEDM), size strain plot (SSP) method, and Halder-Wagner (H-W) method, are employed to comprehensively analyse the nanoparticle characteristics, and additionally, high-resolution transmission electron microscopy (HRTEM) is employed to visualise the morphology and particle size distribution of the synthesised NbSe2 NPs. Physical parameters, including lattice stress, strain, and energy density, are also evaluated more precisely from the XRD pattern reflection peaks. The outcomes shed light on the interplay between crystallite size, lattice strain, and their effects on the material’s properties and showed excellent intercorrelation of the average crystallite sizes as estimated by employing various methods.