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First-principle study of strontium intercalation in bilayer graphene 双层石墨烯中锶插层的第一原理研究
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-23 DOI: 10.1007/s12043-024-02759-6
O Farkad, R Takassa, F Elfatouaki, S Hassine, A El mouncharih, O Choukri, A Ouahdani, E A Ibnouelghazi, D Abouelaoualim

Modifying electrical and optical properties in two-carbon materials is essential for electronic devices, energy storage and biosensor applications. We report a comparative study of the effect of systematically intercalated strontium atoms in AA- and AB-stacked bilayer graphene (BG) in the framework of density functional theory (DFT). The electronic band structures, the total and partial electronic density of states and the dielectric function are studied. We show that the intercalation of atoms can influence both electronic properties. Our results show that the Dirac cones, a signature of graphene, are translated into the conduction band. This property may be useful in band-gap tuning applications of nanodevices. The optical properties were calculated parallel and perpendicular to the graphene sheet under polarised electric fields. The calculated optical properties show that the intercalation of Sr in the AA- and AB-stacked BGs promotes IR absorption. The findings provide a basis for developing graphene intercalary compounds, which can be used in optoelectronics to control the absorption of light wavelengths and specifically in biosensor applications.

改变双碳材料的电气和光学特性对于电子设备、能量存储和生物传感器应用至关重要。我们报告了在密度泛函理论(DFT)框架内对 AA 层和 AB 层双层石墨烯(BG)中系统插层锶原子的影响进行的比较研究。研究了电子能带结构、总态和部分态电子密度以及介电函数。我们发现原子的插层会影响这两种电子特性。我们的研究结果表明,作为石墨烯特征的狄拉克锥被转化为导带。这一特性可能有助于纳米器件的带隙调整应用。在极化电场作用下,平行和垂直于石墨烯薄片的光学特性都得到了计算。计算得出的光学特性表明,在 AA 和 AB 层叠的石墨烯中掺入锶可促进红外吸收。这些发现为开发石墨烯插层化合物提供了基础,这种化合物可用于光电子学领域,控制光波长的吸收,特别是生物传感器应用领域。
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引用次数: 0
Visualising the structure of liquid germanium dioxide under compression 液态二氧化锗压缩结构可视化
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-23 DOI: 10.1007/s12043-024-02813-3
Nguyen Van Hong

Oxygen packing factor (OPF) and atomic-level structure characteristics of the germania system at high temperature and pressure were investigated based on molecular dynamics (MD) simulation. Data analytic techniques, including Monte Carlo method, machine learning and data mining, were used to gain insights from the simulation data. We focus on elucidating the correlation between structure and OPF under high pressure. The research results have established the relationship of the network structure, polyamorphism, liquid–liquid phase transformations and microphase separation with OPF. The research findings revealed promising possibilities in developing novel materials and their applications.

基于分子动力学(MD)模拟研究了高温高压下锗系的氧堆积因子(OPF)和原子级结构特征。我们使用了数据分析技术,包括蒙特卡罗方法、机器学习和数据挖掘,从模拟数据中获得启示。我们重点阐明了高压下结构与 OPF 之间的相关性。研究结果确定了网络结构、多态性、液液相变和微相分离与 OPF 的关系。研究成果揭示了开发新型材料及其应用的广阔前景。
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引用次数: 0
Effect of heat and mass transfer on the MHD (mathrm{Al_2O_3/H_2O}) and (mathrm{Al_2O_3/C_2H_6O_2}) nanoliquid through an asymmetric vertical channel 热量和质量传递对通过非对称垂直通道的 MHD $$mathrm{Al_2O_3/H_2O}$$ 和 $$mathrm{Al_2O_3/C_2H_6O_2}$ 纳米液体的影响
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-22 DOI: 10.1007/s12043-024-02814-2
P Praveen Kumar, S Balakrishnan, A Magesh

The impact of magnetic field on the peristaltic motion of alumina/water ((mathrm Al_2O_3/H_2O)) and alumina/ethylene glycol ((mathrm Al_2O_3/C_2H_6O_2)) nanofluids in a vertical asymmetrical channel with mass/heat transfer was examined in this study. Unsteady governing equations were derived for the present problem. The Galilean transformation was used to transform the unsteady governing equations into steady ones. Reducing partial differential equations yields ordinary differential equations with the implementation of the long wavelength and low Reynolds number approximations. Coupled nonlinear differential equations (concentration and temperature equations) were solved analytically using the perturbation technique. In a similar fashion, the exact solution to the stream function is computed. MATLAB software was used to plot temperature, pressure rise, velocity and concentration, while MATHEMATICA software was used for generating streamlines. The findings suggest that, in comparison to the (mathrm Al_2O_3/H_2O) nanoliquid, the velocity profile for the (mathrm Al_2O_3/C_2H_6O_2) nanoliquid shows significantly larger magnitudes.

本研究考察了磁场对氧化铝/水((mathrm Al_2O_3/H_2O))和氧化铝/乙二醇((mathrm Al_2O_3/C_2H_6O_2))纳米流体在垂直不对称通道中的蠕动运动的影响。针对本问题推导了非稳态控制方程。伽利略变换用于将非稳态控制方程转换为稳态方程。通过实施长波长和低雷诺数近似,将偏微分方程还原为常微分方程。耦合非线性微分方程(浓度和温度方程)采用扰动技术进行分析求解。以类似的方式计算了流函数的精确解。使用 MATLAB 软件绘制温度、压力上升、速度和浓度曲线,同时使用 MATHEMATICA 软件生成流线。研究结果表明,与 (mathrm Al_2O_3/H_2O) 纳米液体相比, (mathrm Al_2O_3/C_2H_6O_2) 纳米液体的速度曲线显示出明显更大的幅度。
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引用次数: 0
Sliding dumbbell method to search for the CME in heavy-ion collisions 用滑动哑铃法寻找重离子碰撞中的CME
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-19 DOI: 10.1007/s12043-024-02810-6
Madan M Aggarwal, Anjali Attri, Sonia Parmar, Anjali Sharma, Jagbir Singh

This study explores the chiral magnetic effect (CME) in ultra-relativistic heavy-ion collisions. The CME, observed as back-to-back charge separation along the magnetic field axis, is investigated using the newly developed sliding dumbbell method (SDM) applied to Au(+)Au events at a centre-of-mass energy (sqrt{s}_{text {NN}}=) 200 GeV generated by the AMPT model with string melting configuration. The CME-like signal is externally injected in the events by flipping charges of pairs of particles perpendicular to the reaction plane. The study reports a significant enhancement of the CME-sensitive 3-particle (gamma ) correlator in events with high back-to-back charge separation, in a given collision centrality. Additionally, a linear relationship is observed between the (sqrt{|gamma |}) correlator for the same-sign charge pairs and positive charge asymmetry ((langle A^{+}rangle )) across the dumbbell in CME-enriched sub-samples. Furthermore, the fraction of CME in (Delta gamma ) (difference between the opposite and same sign (gamma ) correlators) is presented across different collision centralities having different percentages of externally injected CME-like signal. Overall, the research aims to understand and detect the CME through innovative experimental method and detailed analysis of the event structure.

本研究探讨了超相对论重离子碰撞中的手性磁效应(CME)。利用新开发的滑动哑铃法(SDM)对Au(+)Au 事件进行了研究,观察到的CME是沿磁场轴的背对背电荷分离,其质心能量为(sqrt{s}_{text{NN}}=) 200 GeV,由具有弦熔化构型的AMPT模型产生。类似于CME的信号是通过垂直于反应平面的粒子对的电荷翻转从外部注入事件中的。研究报告说,在给定的碰撞中心性下,在具有高背对背电荷分离的事件中,对 CME 敏感的 3 粒子 (gamma )相关器显著增强。此外,在富集了CME的子样本中,观察到同符号电荷对的(sqrt{|gamma |})相关器与哑铃上的正电荷不对称性((langle A^{+}rangle ))之间存在线性关系。此外,不同碰撞中心的 CME 分量(相反符号和相同符号相关器之间的差异)也会在外部注入的 CME 类信号百分比不同的情况下呈现出来。总之,该研究旨在通过创新的实验方法和对事件结构的详细分析来理解和探测 CME。
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引用次数: 0
A non-equilibrium thermodynamical study of warm inflation and swampland conjectures 暖膨胀和沼泽地猜想的非平衡热力学研究
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-19 DOI: 10.1007/s12043-024-02821-3
Akash Bose, Subenoy Chakraborty

The present work deals with warm inflationary scenario from the viewpoint of non-equilibrium thermodynamics. Due to the interacting two-fluid system, the dissipative mechanism in warm inflation can be considered as effective bulk viscous pressure in second-order non-equilibrium description of thermodynamics. It is found that the interaction term is proportional to the enthalpy density of the formed particles. The warm inflation has been analysed using slow-roll approximation and an expression for the interaction term has been obtained. The formulation of warm inflation in the non-equilibrium thermodynamical prescription has been presented as a lemma. Lemma 2 shows the inter-relation between slow-roll approximation and quasistable radiation bath using the Friedmann equations. Finally, warm inflation has been examined from the point of view of swampland conjectures.

本研究从非平衡热力学的角度探讨了暖膨胀情景。由于存在相互作用的双流体系统,暖膨胀中的耗散机制可视为热力学二阶非平衡描述中的有效体积粘性压力。研究发现,相互作用项与所形成粒子的焓密度成正比。利用慢滚近似分析了暖膨胀,并得到了相互作用项的表达式。非平衡热力学处方中的暖膨胀公式以 "lemma "的形式给出。阶式 2 利用弗里德曼方程显示了慢滚近似与类稳态辐射浴之间的相互关系。最后,从沼泽地猜想的角度对暖膨胀进行了研究。
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引用次数: 0
Hydromagnetic micropolar fluid flow over a stretching sheet under viscous dissipation, thermal radiation and Dufour–Soret effects 粘性耗散、热辐射和杜富尔-索雷特效应下拉伸片上的水磁微极流体流动
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-19 DOI: 10.1007/s12043-024-02777-4
Kushal Sharma, Laltesh Kumar, Atar Singh, Vimal K Joshi

In the present investigation, we investigated the chemically reactive, laminar flow of a micropolar fluid over a stretching sheet in the presence of a transverse magnetic field, thermal radiation and the mutual effect of Soret–Dufour and viscous dissipation. The governing partial differential equations are converted into a system of nonlinear ordinary differential equations for finding the mathematical solutions and the transformed system is solved using the bvp4c algorithm in the MATLAB environment. Effects of different physical factors on dimensionless velocity, microrotation, temperature and concentration profiles are addressed and illustrated graphically. When the Schmidt number is low, it indicates that the momentum diffusivity dominates over the mass diffusivity.

在本研究中,我们研究了在横向磁场、热辐射以及 Soret-Dufour 和粘性耗散相互影响的情况下,微极性流体在拉伸片上的化学反应层流。为了找到数学解,将支配偏微分方程转换为非线性常微分方程系统,并在 MATLAB 环境中使用 bvp4c 算法求解转换后的系统。研究了不同物理因素对无量纲速度、微浮力、温度和浓度剖面的影响,并以图表说明。当施密特数较低时,表明动量扩散比质量扩散占优势。
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引用次数: 0
Dynamical behaviours with various analytic solutions to a ((2+1)) extended Boiti–Leon–Manna–Pempinelli equation $$(2+1)$$扩展的波蒂-里昂-曼纳-彭皮内利方程的各种解析解的动力学行为
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-13 DOI: 10.1007/s12043-024-02784-5
Shalini Yadav, Aniruddha Kumar Sharma, Rajan Arora

The study aims at different families of analytical solutions and their dynamics for the ((2+1))-dimensional extended Boiti–Leon–Manna–Pempinelli (eBLMP) problem, which is widely used in the fields of physics such as non-linear optics, fluid dynamics, mathematical physics, plasma physics and quantum mechanics. The paper utilises two recently developed efficient mathematical methods: the generalised exponential rational function (GERF) method and the generalised Kudryashov (gK) method. These two methods are versatile, simply applicable to enlighten the new non-linear waveforms. Consequently, these discoveries enhance our understanding of complex systems like ((2+1))-dimensional eBLMP in the realm of non-linear science.

本研究旨在探讨 ((2+1))-dimensional extended Boiti-Leon-Manna-Pempinelli (eBLMP) 问题的不同分析解系列及其动力学,该问题广泛应用于非线性光学、流体动力学、数学物理、等离子体物理和量子力学等物理学领域。论文利用了最近开发的两种高效数学方法:广义指数有理函数(GERF)方法和广义库德良肖夫(gK)方法。这两种方法用途广泛,简单适用于揭示新的非线性波形。因此,这些发现增强了我们对非线性科学领域中((2+1))维 eBLMP 等复杂系统的理解。
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引用次数: 0
Multiple-relaxation-time lattice Boltzmann simulation of viscoplastic Bingham nanofluids in a suddenly expanded channel: a systematic numerical study 突然膨胀通道中粘塑性宾汉纳米流体的多重松弛时间晶格玻尔兹曼模拟:系统数值研究
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-12 DOI: 10.1007/s12043-024-02795-2
Muhammad Zawad Mahmud, Md Mahadul Islam, Md Mamun Molla, Md Farhad Hasan, Sadia Siddiqa

The multiple-relaxation-time (MRT) lattice Boltzmann method (LBM) is used in a suddenly expanded channel to demonstrate the flow of viscoplastic Bingham nanofluid with Al(_2)O(_3) nanoparticles. The geometry has two sections namely, inlet and outlet, and the corresponding heights are denoted by h and H, respectively. The length of the entire channel is 20H, and the expanded channel has a height of 16H. The purpose of the MRT-LBM simulation is to investigate the impact of changing the Bingham number (( 0 le Bn le 200)), keeping the Reynolds number (Re) fixed for different volume fractions ((phi =) 0.00 and 0.04). In addition, the consequences of variations in the Reynolds number (( 50 le Re le 1000 )) at constant Bingham number (Bn) are also studied for those two different volume fractions. The results demonstrate that with fixed (Bn=2), (Re=400) is the point where the flow pattern and recirculation regions are exactly the same for both volume fractions. An increase in Re causes the recirculation regions to grow for a fixed Bn for both volume fractions as Re’s rise increases the velocity and decreases the viscous force. Bn’s increment with Re and volume fraction unchanged lowers the recirculation region’s size due to a rise in viscous force. Higher Re and lower Bn cause the more significant recirculation regions to break down into smaller areas. Incrementing the volume fraction lowers size of the recirculation region. An unstable flow was observed for higher Bn (e.g., (Bn ge 100)) and lower Bn (e.g., (0 le Bn le 10)) when (Re ge 500) for both volume fractions in maximum cases. Unstable flow for lower Bn makes the recirculation regions asymmetric, and when Re is high, the recirculation regions break down for the base fluid ((phi =0.00)). When (Re=300) and (Bn=2), the length of the recirculation region of the upper wall decreases by (28.58%), and the length of the lower wall falls a bit less by (26.37%) when (phi ) is increased from 0.00 to 0.04. For (x/h=2), the nanoparticle mixed fluid’s velocity ((phi =0.04)) never gets a negative magnitude till the final position for (Re=700). In most situations, an increased volume fraction increases the skin-friction effect on both walls.

多重松弛时间(MRT)晶格玻尔兹曼法(LBM)被用于一个突然扩大的通道中,以演示含有Al(_2)O(_3)纳米颗粒的粘性宾汉纳米流体的流动。几何形状有两个部分,即入口和出口,相应的高度分别用 h 和 H 表示。整个通道的长度为 20H,扩展通道的高度为 16H。MRT-LBM 模拟的目的是研究在雷诺数(Re)固定的情况下,改变宾汉数(0 le Bn le 200)对不同体积分数((phi =) 0.00 和 0.04)的影响。此外,还研究了在宾汉数(Bn)不变的情况下,雷诺数(50 le Re le 1000 )的变化对这两种不同体积分数的影响。结果表明,在固定(Bn=2)的情况下,(Re=400)是两个体积分数的流动模式和再循环区域完全相同的点。在两个体积分数的 Bn 都固定的情况下,Re 的增加会导致再循环区域扩大,因为 Re 的增加会提高速度并降低粘性力。在 Re 值和体积分数不变的情况下,Bn 的增加会因粘滞力的增加而减小再循环区域的面积。更高的 Re 值和更低的 Bn 值会使更大的再循环区域缩小。增加体积分数会减小再循环区域的面积。在最大情况下,当两种体积分数都为(Re ge 500) 时,较高 Bn(例如,(Bn ge 100) )和较低 Bn(例如,(0 le Bn le 10) )的流动不稳定。较低Bn的不稳定流动使得再循环区域不对称,当Re较高时,基本流体的再循环区域破裂((phi =0.00))。当(Re=300)和(Bn=2)时,当(phi)从0.00增加到0.04时,上壁的再循环区域长度减少了(28.58%),下壁的长度减少了(26.37%)。对于(x/h=2),纳米粒子混合流体的速度((phi =0.04))直到(Re=700)的最终位置都不会变为负值。在大多数情况下,体积分数的增加会增加两面壁的集肤摩擦效应。
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引用次数: 0
Efficient Lie derivative algorithm for two special nonlinear equations 两个特殊非线性方程的高效列导数算法
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-12 DOI: 10.1007/s12043-024-02806-2
Zhi-Hang Gu, Wen-An Jiang, Li-Qun Chen

This paper explores the effectiveness of the Lie derivative discretisation scheme applied to two particular types of nonlinear dynamical equations, both of which have the characteristic of time variables in the denominator position. The discrete structure of non-autonomous systems is established. In particular, we exclude time variables as state variables to prevent non-autonomous systems from becoming autonomous systems. Using this method, we compute the numerical solution of the system above and compare it with the precise solution and the numerical findings of Runge–Kutta, demonstrating the broad applicability of the Lie derivative numerical algorithm. Finally, we determine the CPU consumption time of two numerical algorithms, thus providing evidence of the high efficiency of the Lie derivative numerical algorithm.

本文探讨了应用于两类特殊非线性动力学方程的列导数离散化方案的有效性,这两类方程的分母位置都具有时间变量的特征。本文建立了非自治系统的离散结构。特别是,我们排除了作为状态变量的时间变量,以防止非自治系统成为自治系统。利用这种方法,我们计算了上述系统的数值解,并将其与 Runge-Kutta 的精确解和数值结果进行了比较,证明了列导数数值算法的广泛适用性。最后,我们确定了两种数值算法的 CPU 消耗时间,从而证明了列导数数值算法的高效性。
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引用次数: 0
A novel class of soliton solutions and conservation laws of the generalised BS equation by Lie symmetry method 用列对称法求解广义 BS方程的一类新孤子解和守恒定律
IF 1.9 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-10 DOI: 10.1007/s12043-024-02796-1
Dig vijay Tanwar, Raj Kumar

The interaction between a Riemann wave propagating along the y-axis and a long wave along the x-axis results in a generalised breaking soliton (gBS) equation. Lie symmetries of the equation are generated in this article to derive some rarely available classes of invariant solutions. The presence of arbitrary functions in each solution opens up a broad class of solution profiles. 3D profiles are used to explore more properties of the solutions to the gBS equation. The profiles describe doubly solitons, annihilation of parabolic, periodic solitons, line solitons and solitons on curved surface types. Solution profiles are useful in optical fibre, acoustic waves in a crystal lattice, long waves in stratified oceans, long-distance transmission and shallow water waves. The Lie symmetry approach has future scope to provide more variety in solutions due to the capability of solutions to include functions and arbitrary constants. This research effectively demonstrates the uniqueness of the solutions when compared with the previously published result. Moreover, the adjoint equation and conserved vectors are determined using Noether’s theorem.

沿 y 轴传播的黎曼波与沿 x 轴传播的长波之间的相互作用产生了广义破缺孤子(gBS)方程。本文利用该方程的列对称性,推导出一些罕见的不变解类。每个解中任意函数的存在开辟了一类广泛的解剖面。三维剖面用于探索 gBS 方程解的更多特性。这些剖面描述了双孤子、抛物线湮灭、周期孤子、线孤子和弯曲表面类型的孤子。解剖面对光纤、晶格中的声波、分层海洋中的长波、长距离传输和浅水波等都很有用。由于解法可以包含函数和任意常数,因此李对称方法未来有可能提供更多样的解法。与之前发表的结果相比,这项研究有效地证明了解的唯一性。此外,还利用诺特定理确定了邻接方程和守恒向量。
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引用次数: 0
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