bluuebunny/crossref_metadata_2025_split huggingface dataset:
Local environmental engineering for highly stable single-atom Pt1/CeO2 catalysts: first-principles insights
Authors: Yan Jiasi , Xiao Wei , Zeng Rong , Zhao Zheng , Li Xiaowu , Wang Ligen 
Published: October 2023

Abstract
Single-atom Pt1/CeO2 catalysts may cope with the high cost and durability issues of fuel cell electrocatalysts. In the present study, the stability and underlying interaction mechanisms of the Pt1/CeO2 system are systematically investigated using first-principles calculations. The Pt adsorption energy on CeO2 surfaces can be divided into chemical interaction and surface deformation parts. The interaction energy, mainly associated with the local chemical environment, i.e. the number of Pt-O bonds, plays a major role in Pt1/CeO2 stability. When forming a Pt-4O configuration, the catalytic system has the highest stability and Pt is oxidized to Pt2+. An electronic metal-support interaction mechanism is proposed for understanding Pt1/CeO2 stability. In addition, our calculations show that the Pt1/CeO2(100) system is dynamically stable, and the external O environment can promote the further oxidation of Pt to Pt
n+ (2 ≤ n < 4). The present study provides useful guidance for the experimental development of highly stable and efficient electrocatalysts for fuel cell applications.
Long-time convergence of a nonlocal Burgers’ equation towards the local N-wave
Authors: Coclite Giuseppe Maria , De Nitti Nicola , Keimer Alexander , Pflug Lukas , Zuazua Enrique 
Published: October 2023

Abstract
We study the long-time behaviour of the unique weak solution of a nonlocal regularisation of the (inviscid) Burgers equation where the velocity is approximated by a one-sided convolution with an exponential kernel. The initial datum is assumed to be positive, bounded, and integrable. The asymptotic profile is given by the ‘N-wave’ entropy solution of the Burgers equation. The key ingredients of the proof are a suitable scaling argument and a nonlocal Oleinik-type estimate.
Initial kinetics of electrons, ions and electric field in planar vacuum diode with plasma cathode
Authors: Kozyrev Andrey V , Kozhevnikov Vasily Yu , Semeniuk Natalia S , Kokovin Aleksandr O 
Published: October 2023

Abstract
The paper presents the results of a 1D1V theoretical study of the initial stage of plasma expansion into a planar vacuum gap 1 cm long with an applied voltage of 500–5000 V. Based on the collisionless kinetic and Maxwell equations, the motion of a two-component electron–ion plasma in a self-consistent electric field is described. The fundamental mechanism of ‘superthermal’ velocities of the emission edge of the plasma and anode-directed velocities of positive ions is demonstrated in detail. The general regularities of this process are established for variations in the number density of the initial plasma and the applied voltage.
Intrinsically low lattice thermal conductivity in layered Mn3Si2Te6
Authors: Li Qingfang , Cheng Yingbing , Zhao Delin , Huang Yineng , Wan Xiangang , Zhou Jian 
Published: October 2023

Abstract
The ferrimagnetic nodal-line semiconductor Mn3Si2Te6 has recently received much attention due to its colossal angular magnetoresistance (Seo et al 2021 Nature
599 581). The magnetic and electronic properties of Mn3Si2Te6 have been extensively studied. Meanwhile, a recent experiment showed that Mn3Si2Te6 has a low in-plane lattice thermal conductivity, which implies its potential applications in thermoelectricity. Here, we have investigated phonon dispersion and lattice thermal conductivity of Mn3Si2Te6 by the first-principles calculations and the Peierls–Boltzmann transport equation. It is found that the lattice thermal conductivities of Mn3Si2Te6 are quite low, which are 1.33 and 0.96 Wm−1K−1 along the a and c axes at 300 K, respectively. A significant contribution (>90%) to the thermal conductivity comes from the acoustic phonons and low-frequency optical phonons linked to the vibration of Te atoms. Meanwhile, it is found that such low thermal conductivities of Mn3Si2Te6 are a consequence of the low group velocities and relatively short phonon lifetimes, which are intrinsically derived from the quite complex crystal structure, heavy Te atoms, and relatively weak chemical bonding. Our work not only explains the origin of the intrinsically low thermal conductivity of Mn3Si2Te6 but also could be helpful to the study on the thermal conductivity of other similar layered magnetic materials.
Superconductivity in two-dimensional MB4 (M = V, Nb, and Ta)
Authors: Han Yifan , Shang Yue , Wan Wenhui , Liu Yong , Ge Yanfeng 
Published: October 2023

Abstract
The study of two-dimensional (2D) superconductors is one of the most prominent areas in recent years and has remained a long-standing scientific challenge. Since the introduction of the new member of 2D material family consisting of transition-metal elements with Borides (MBenes), the study of various properties of 2D metal borides has attracted widespread interest. In this work, we systematically investigate the phonon-mediated superconductivity in 2D MB4 (M = V, Nb, and Ta), by using the first-principles calculations. Starting from the dynamical stabilities of these structures, we perform a detailed analysis of the electron–phonon coupling and superconductivity of AB-stacked MBenes by solving the anisotropic Eliashberg equation. NbB4 has the largest electron–phonon coupling and the highest superconducting transition temperature T
c of 35.4 K. Our study broadens the 2D superconducting boride family, which is of great significance for the study of 2D superconductivity.
Enhanced signal-to-noise ratio in quantum plasmonic image sensing including loss and varying photon number
Authors: Mpofu K T , Mthunzi-Kufa P 
Published: October 2023

Abstract
The signal-to-noise ratio is an important quantity in signal and image analysis that gives information about the quality of the signal and/or image of interest. When plasmonic biosensors are used to study how molecules interact in intermolecular binding reactions, the output signal and/or image must be of the highest quality to get the best value from our biosensors. Images of interest in this work are images of the binding region at the metal surface of the plasmonic biosensor. Improving the signal-to-noise ratio of these signals and/or images is a key area of research that can help scientists learn more about how different molecules interact with each other. Because these molecular entities can include a wide range of biomolecules, we can investigate different types of binding interactions. In this paper, we look at a theoretical two-mode image sensing framework that we use to model the signal-to-noise ratio in images generated by a plasmonic image-based biosensor. A Krestchmann configuration-based surface resonance sensor is used as a plasmonic biosensor. In the model, an example of how BSA and an antibody called IgG1 bind to the surface of a plasmonic biosensor are examined. Traditionally, classical states of light are used as probe states in the Krestchman configuration; in this paper, quantum states of light are considered alternative probe states. The effect of using quantum states of light, such as the Fock state, squeezed displaced states, and squeezed vacuum states, on the signal-to-noise ratio of images is investigated. This work also looks at the effect of losses in the sensing environment and changes in photon numbers in the input signal on the average signal-to-noise ratio of the output of the plasmonic biosensor. The novelty in the described work lies in the exploration of using a variety quantum states of light as probe states in a plasmonic image-based biosensor, specifically in the context of improving the signal-to-noise ratio of images captured from the binding region at the metal surface accounting for the impact of losses. It was found that some quantum states improve the signal-to-noise ratio of the plasmonic biosensor output image.
First principle insights into the physical properties of Ti-based 211-MAX phase nitrides Ti2AN (A = Tl and Pb)
Authors: Srinivasan Vijay , Rana Tushar H 
Published: October 2023

Abstract
We have used the theoretical ab initio approach to scrutinize the electronic and other physical properties of Ti2AN (A = Tl and Pb). Geometrical optimization has been carried out to obtain accurate lattice constants and internal coordinates. The formation energies of Ti2TlN and Ti2PbN are found to be negative, which confirms their stability. The aforementioned compounds are found to be metallic because of their zero-band gaps. The metallicity f

m
(x 10−3) of Ti2TlN and Ti2PbN phases were determined to be 1.77 and 2.11, respectively. In addition, we evaluate the elastic constant C
ij
, which obeys the Born-Huang mechanical stability criterion. We used the Voigt-Reuss-Hill approximation for the analysis of Young’s modulus, shear modulus, and bulk modulus successfully. Furthermore, Ti2TlN is found to be brittle, but Ti2PbN is close to the brittle-ductile boundary line according to Pugh’s and Poisson’s ratios. The Debye temperature, melting temperature, and minimum thermal conductivity have all been rigorously studied to examine the potential scenarios of genuine high-temperature applications. Lower Young’s modulus, the minimum thermal conductivity (Ti2TlN and Ti2PbN), and Debye temperature values reveal that Ti2PbN might be used as a thermal barrier coating application. A study of elastic anisotropy demonstrates that Ti2PbN has a higher degree of anisotropy than Ti2TlN, according to the universal anisotropy index. We confirmed the dynamic stability (i.e., no negative frequencies at the gamma point) of predicted compounds by performing phonon DOS and phonon band structures. Finally, the temperature-dependent thermodynamic properties of Ti2TlN and Ti2PbN have been thoroughly analyzed, where the entropy (S), free energy, and internal energy (E) vary with respect to temperature. Moreover, the convergence of specific heat capacity is observed at constant volume to the Dulong-Petit limit at higher temperatures.
Irreversibility analysis and thermal radiative of Williamson (ZnO+MOS
2/C
3
H
8
O
2) hybrid nanofluid over a porous surface with a suction effect
Authors: Ahmed Muhammad Faizan , Ali Farhan , Zafar Syed Sohaib , Srivinas Reddy C , Aslam Muhammad 
Published: October 2023

Abstract
The current approach considered the unsteady 2D laminar second law analysis on Williamson hybrid nanoliquid in a porous medium under the effect of the thermal radiative flow towards a convectively heated stretching sheet. Propylene glycol

P
G

(

C

3

H

8

O

2

) is employed as the base liquid in this study, and the nanoparticles are Molybdenum disulfide

M
O

S

2

and Zinc Oxide

Z
n
O

.

The purpose of the current study is to maximize the energy and mass transfer rate for industrial and engineering applications. The primary contribution of this study is to discuss heat transmission via thermal radiation, suction, and the porous parameter on the flow of a William hybrid nanoliquid. The constitutive Maxwell flow model, heat transport, and entropy generation can be reduced to ordinary differential equations by similarity transformations. The Bvp4c technique is used on these generating ODEs for the numerical technique in the methodology section. Fluid friction, heat transmission, and Joule heating are used to calculate the entropy generation number. Graphs and tables are used to investigate the effects of dimensionless parameters on flow variables and entropy generation. The primary results suggest that hybrid Maxwell nanofluid is a more efficient heat conductor than regular nanofluid. A significant drop in the velocity field is supported by the Williamson

W
e
,

Unsteady

β
,

and porosity

γ

factors

γ
.

The temperature profile is significantly raised by the Biot number

B
i
,

thermal radiation

R
d
,

and suction factor

S
.

Moreover, it has been found that entropy increases with radiation

R
d

but reduces in Brinkman number

B
r

against the Bejan number profile. Our results for a few specific situations were compared with previously published data to establish the validity of the current study, and it was discovered that they were in strong agreement.
A state-of-the-art review on advancements in phase change material encapsulation techniques for electronics cooling
Authors: Venkatakrishnan Prabakaran , Palanisamy Ponnusamy 
Published: October 2023

Abstract
The continuous rise and reduction in heat flow of electronic devices constitute significant challenges for cooling management. The shell materials thermal conductivity affects both heat transfer and PCM - heat transfer fluid interaction (HTF). As a result, the traditional techniques of cooling systems are insufficient to provide the necessary cooling for such heat-generating electronic gadgets. In this view, there has been a considerable amount of effort applied into the development of high-efficiency cooling for electronics cooling applications. Today, many scientific studies are focusing on the usage of phase change materials (PCM) in high-energy storage systems due to their excellent thermal storage properties. Since the PCM and its volume of energy storage decrease from core to the coating, the higher encapsulation thickness provides minimum quality when compared to the lower thickness of encapsulation This review highlights the importance of size, thickness, and core-to-coating ratios while offering a thorough overview of PCM encapsulation methods for electronics cooling. It presents the novel idea of carbon nanotube-enhanced PCMs, emphasizes the need of choosing the right shell material, and investigates the effects of encapsulation shape. The key characteristics of encapsulation, such as influence of shell material, encapsulation shape, melting and solidification are reviewed.
Investigation of micro lattice spiral wound membrane structures availing DLP and FDM techniques for water treatment
Authors: Bairapudi Anil , Chebiyyam Chandrasekhara Sastry , Krishnaiah J J , Sundeep Dola , Varadharaj Eswaramoorthy K 
Published: October 2023

Abstract
This study addressed the challenge of reducing water contaminants using Spiral Wound Membrane (SWM) units in desalination and water treatment. Through additive manufacturing, we developed complex micro-lattice feed-spacer structures using FlexBLK 20, Pro-BLK10, ToughBLK 20, PLA, PETG, and ABS materials. The AHPTOPSIS statistical method indicated an ideal solution with Digital Light Processing (DLP) conditions showing a 20 μm layer thickness, FlexBLK-20 material, diamond structure, and for Fused Deposition Modeling (FDM) conditions, a 0.1 mm layer thickness, PLA material, and gyroid structure. Significant findings include a decrease in surface roughness by 79.67%–85.25% for DLP, an elongation increase of 50%–91.67%, and tensile strength improvement between 0.07%–40.83%. DLP printed feed spacers showcased better surface distributions than FDM, attributed to finer layers and higher density printing. Additionally, DLP printing resulted in a 32.02% increase in residual stress, suggesting superior compressive resistance. In thermal analyses, both DLP and FDM materials showed thermal stability up to 380 °C–450 °C. This research indicates that DLP printed feed spacers, with their enhanced properties, are potentially more efficient for water purification systems, providing smoother surface, better filtration, and increased durability.
A simple Monte Carlo model for performance optimization of single photon avalanche diode
Authors: Yang Jian , Wang Yang , Zhou Wei , Jin Xianliang , Peng Yan , Luo Jun 
Published: October 2023

Abstract
Single photon avalanche diode (SPAD) has the advantage of high internal gain, which is widely used in fluorescence detection and quantum communication. The high internal gain of the device is mainly due to avalanche multiplier effect. Therefore, it is of great significance to study avalanche multiplication effect for the design and performance optimization of SPAD devices. In this paper, a Simple Monte Carlo (SMC) model is implemented based on MATLAB, which includes interval phonon scattering and impact ionization of carriers. In this model, the electric field at different reverse bias voltages is extracted based on Technology-Computer- Aided- Design (TCAD). The model simulates the energy, velocity and impact ionization of carriers in the depletion region. The model has been verified on SPAD devices fabricated by 0.18um Bipolar - Complementary Metal Oxide Semiconductor - Diffused Metal Oxide Semiconductor (BCD) process. The SMC model simulates the dependence of the avalanche multiplication gain and excess noise factor of the SPAD device on the reverse bias voltage. In addition, the SMC model estimates the current–voltage (IV) characteristics and avalanche breakdown voltage of the device. In conclusion, the SMC model can provide guidance for the design and performance optimization of SPAD devices.
Phase time delay caused by quantum effects in nearby plasmonic nanostructures of a one-dimensional photonic crystal
Authors: Badshah Fazal , Rahmatullah  , Zain Yousaf Muhammad , Majjad Hasan Gilani Syed , He Qing , Abbas Muqaddar 
Published: October 2023

Abstract
A one-dimensional photonic crystal (1DPC) incorporated with a defect layer containing a four-level double V-type quantum system adjacent to a plasmonic nanostructure is employed to investigate the Hartman effect. The study involves the interaction of two orthogonal circularly polarized laser beams with the defect layer, possessing identical frequencies but vary in phase and electric field amplitude. The defect layer exhibits quantum system adjacent to plasmonic nanostructure and field interaction phenomena like optical transparency, nonzero dispersion with zero absorption, gain without inversion, and others related effects. By manipulating the phase of the driving fields and probe detuning, the 1DPC can function as either a positive index material (PIM) or a negative index material (NIM), correlating to the normal and anomalous dispersion of the defect layer, respectively. The positive and negative Hartman effects for PIM and NIM, respectively, can be observed by adjusting the relative phase with respect to the driving fields. Our suggested approach might be used in optical memory, all-optical switching, all-optical routing, and interferometry.
On the solutions of some nonlinear fractional partial differential equations using an innovative and direct procedure
Authors: Rab Abdur , Khan Hassan , Tchier Fairouz , Khan Shahbaz , Kumam Poom , Jebran Samaruddin , Nadeem Muhammad 
Published: October 2023

Abstract
In this article, a highly effective technique is implemented to obtain the approximate solutions of strongly nonlinear fractional order partial differential equations (NFPDEs). The findings of this study show the successful behavior of the fractional novel analytical method (FNAM), which can be used successfully for the solutions of common, severe NFPDEs. In the proposed method, the nonlinearity in each mathematical model is directly handled by using fractional Taylor series, which reduces the calculation effort. In this work, the method's strength is primarily demonstrated on NFPDEs, and the obtained results are displayed via graphs and tables. From the numerical simulations, it is evident that the suggested technique has greater accuracy despite smaller calculations. It is the most straightforward method for determining the formulaic solution to any type of NFPDE and is considered to be the unique numerical methodology.
Interface-induced efficient adsorption and photocatalytic degradation of organic pollutants using rGO/SnO2 nanocomposites: exploring the role of rGO concentration at the interface
Authors: Gupta Shalu , Kumar Rakesh 
Published: October 2023

Abstract
This study presents the synthesis and characterization of rGO/SnO2 nanocomposites and investigates their efficacy in the adsorption and photocatalytic degradation of organic contaminants. The nanocomposites were synthesized via a one-step hydrothermal route, which is an environmentally friendly method without the use of hazardous reducing agents. The incorporation of rGO onto SnO2 nanostructures led to bandgap modification and increased specific surface area, synergistically enhancing the adsorption and photocatalytic properties of the nanocomposites. The influence of varying rGO concentrations on the performance of the nanocomposite was systematically examined. An optimal weight ratio of 15% of rGO was identified, providing the most effective adsorption-photodegradation synergy, resulting in the rapid degradation of organic contaminants under simulated sunlight irradiation. The nanocomposites demonstrated high degradation rates for a mixture of rhodamine B (RhB) and methylene blue (MB) dyes within 50 min. Scavenger experiments identified superoxide anion radicals (O
2
•−) and hydroxyl free radicals (OH•) as the primary active species involved in the photocatalytic degradation process. Furthermore, the study explored the influence of initial dye concentration and photocatalyst mass under optimized conditions. The interfacial contact between rGO nanosheets and SnO2 nanostructures played a crucial role in enhancing the photocatalytic performance by facilitating efficient charge carrier separation. The results indicated the efficient degradation of high concentrations of dyes and demonstrated the potential of rGO/SnO2 nanocomposites for real-world wastewater treatment applications. Overall, this study highlights the remarkable adsorption-photocatalytic synergy of rGO/SnO2 nanocomposites, offering a promising solution for the simultaneous degradation of mixed organic contaminants.
Numerical investigation of virtual control surfaces for lift control on NACA0015 airfoil
Authors: Fu Yunhao , Lyu Yongxi , Shi Jingping 
Published: October 2023

Abstract
The plasma actuators as virtual control surfaces are assessed numerically as a means to control the lift of NACA0015 airfoil at the full angle of attack (without stall). The virtual control surface for increasing lift is realized by the pressure side (PS) plasma actuators that induce an upstream jet and the suction side (SS) plasma actuators that induce a downstream jet (SSD plasma actuator), while the one for reducing lift is realized by the SS plasma actuators that induce an upstream jet (SSU plasma actuator). Numerical simulation is achieved by solving the two-dimensional Reynolds averaged Navier–Stokes using the finite volume method. The plasma actuator adopts the empirical model proposed by the author before. The simulation of the air flow was performed for the freestream velocity of 20 m/s (Re=1.03 × 106) and the induced jet momentum coefficient between 0.0846% and 0.9027%. The calculation results show that the optimal number of DBD actuators for increasing the lift is related to the angle of attack. The SS flow separation of the high angle of attack greatly reduces the control effect of the PS actuator, which can be eliminated by arranging the actuators in front of the separation point. Finally, a virtual control surfaces configuration containing three groups of seven plasma actuators is obtained.