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Predicting suitable optoelectronic, mechanical and transport properties of phosphide crystals for energy applications using accurate first-principles computations 使用精确的第一性原理计算预测适合于能量应用的磷化物晶体的光电、机械和输运性质
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-25 DOI: 10.1007/s12043-025-02973-w
Muhammad Irfan, Fatma A Ibrahim, Mohamed S Hamdy, Shams A M Issa, H M H Zakaly

Photovoltaic materials are highly effective for solar cells, offering high efficiency and stability. Quantum theoretical analysis of phosphides [Sr3Sn2P4]: Eu3+ for their potential in photovoltaic applications is reported here for the first time. Quantum computations for Sr3Sn2P4 optoelectronics, mechanical and transport properties were performed using the all-electron method. The calculations were performed using the generalised gradient approximation plus Hubbard potential U (GGA + U) method for the doped materials. Our research indicates that the Sr3Sn2P4 band gap can be lowered from 1.65 to 1.0 eV by doping Eu3+. According to first-principles calculations, bands at the Fermi level are hybridised with Sr-d, Sn-p and P-p orbitals. Eu3+ doping enables fine-tuning of the material’s band gap, structure and optoelectronic properties of novel phosphides by expanding the material’s potential applications in the semiconductor industry. Furthermore, calculations of the transport properties using semi-classical Boltzmann theory reveal a consistent pattern of thermopower throughout the 100–800 K range, which opens the door to the potential use of these compounds as low-temperature thermoelectric materials. ZT calculations show that both materials have reasonably strong thermoelectric performance, with just a slight fluctuation (0.18) in the results throughout a wide temperature range. Additionally, a thorough examination of the transport properties indicates that the current series of materials is p-type semiconducting. Computational studies of optoelectronic and transport properties of energy-renewable devices allow experimentalists to explore novel uses for quick and atomic-level accuracy prediction of photovoltaic materials with diverse crystal structures.

光伏材料是太阳能电池的高效材料,具有高效率和稳定性。本文首次报道了磷化物[Sr3Sn2P4]: Eu3+在光伏领域应用潜力的量子理论分析。采用全电子方法对Sr3Sn2P4的光电子学、力学和输运性质进行了量子计算。对掺杂材料采用广义梯度近似加哈伯德势U (GGA + U)方法进行计算。我们的研究表明,掺入Eu3+可以将Sr3Sn2P4的带隙从1.65 eV降低到1.0 eV。根据第一性原理计算,费米能级的能带与Sr-d、Sn-p和P-p轨道杂化。Eu3+掺杂通过扩大材料在半导体工业中的潜在应用,可以微调材料的带隙、结构和新型磷化物的光电性能。此外,利用半经典玻尔兹曼理论计算输运性质揭示了在100-800 K范围内热电的一致模式,这为这些化合物作为低温热电材料的潜在用途打开了大门。ZT计算表明,这两种材料都具有相当强的热电性能,在很宽的温度范围内,结果只有轻微的波动(0.18)。此外,对输运性质的彻底检查表明,目前的材料系列是p型半导体。对可再生能源器件的光电和输运特性的计算研究使实验家能够探索具有不同晶体结构的光伏材料的快速和原子级精度预测的新用途。
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引用次数: 0
Stability analysis of the solitary wave interaction via Lyapunov function and Hirota bilinear method 用Lyapunov函数和Hirota双线性方法分析孤立波相互作用的稳定性
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-25 DOI: 10.1007/s12043-025-02960-1
N Hemnath, Santanu Raut, Sandip Saha, Awani Bhushan

This study provides a comprehensive analytical and graphical exploration of the solitary wave solutions to the (3(+)1)-dimensional Mikhailov–Novikov–Wang integrable (MNWI) equation. We thoroughly examine the solitary wave solutions, emphasising their nonlinear wave propagation, invariant shape and constant velocity. The MNWI equation is used to derive various analytical solutions, including soliton, periodic and rational wave solutions. Additionally, we obtain a heuristic solution for the ((3+1))-dimensional MNWI equation using the Hirota bilinear method, focussing on soliton wave dynamics. The analysis highlights both the mathematical framework and the physical implications of the solutions. By defining bounds on the system’s variables, we assess the overall stability through the Lyapunov function. Nonlinear wave propagation is shown to maintain stability, shape and velocity under bounded conditions. These findings confirm the essential properties and dynamics of solitons. Furthermore, the study reveals complex hybrid solutions through which wave interactions are studied. The outcomes of this work hold significant potential for modelling various physical and environmental phenomena, such as floods, tsunamis and large-scale fluid flows.

本研究对(3 (+) 1)维Mikhailov-Novikov-Wang可积(MNWI)方程的孤立波解进行了全面的分析和图解探索。我们彻底地研究了孤立波解,强调了它们的非线性波传播,不变形状和恒定速度。利用MNWI方程推导出各种解析解,包括孤子解、周期解和有理波解。此外,我们使用Hirota双线性方法获得了((3+1))维MNWI方程的启发式解,重点关注孤子波动力学。分析强调了解决方案的数学框架和物理含义。通过定义系统变量的界,我们通过李雅普诺夫函数来评估系统的整体稳定性。非线性波的传播在有界条件下保持稳定性、形状和速度。这些发现证实了孤子的基本性质和动力学。此外,该研究揭示了复杂的混合解,通过它可以研究波的相互作用。这项工作的结果对模拟各种物理和环境现象具有重大潜力,例如洪水、海啸和大规模流体流动。
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引用次数: 0
Reducing Lax pairs to obtain integrable matrix modified Korteweg–de Vries models 简化Lax对得到可积矩阵修正Korteweg-de Vries模型
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-23 DOI: 10.1007/s12043-025-02968-7
Wen-Xiu Ma

This paper explores the matrix modified Korteweg–de Vries (mKdV) integrable models using similarity transformations. The study employs the Lax pair formulation as a foundation, proposing pairs of similarity transformations to reduce the Lax pairs of the Ablowitz–Kaup–Newell–Segur matrix spectral problems, thereby deriving integrable matrix mKdV models. Four illustrative scenarios are discussed to present specific examples of these reduced integrable models.

本文利用相似变换探讨了矩阵修正的Korteweg-de Vries (mKdV)可积模型。本研究以Lax对公式为基础,提出了对相似变换来减少ablowitz - kap - newwell - segur矩阵谱问题的Lax对,从而推导出可积矩阵mKdV模型。讨论了四个说明性场景,以给出这些简化可积模型的具体示例。
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引用次数: 0
Computational and numerical analysis of the soliton solutions to the geophysical KdV equation using two robust analytical methods 用两种鲁棒分析方法计算和数值分析地球物理KdV方程的孤子解
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-18 DOI: 10.1007/s12043-025-02971-y
Sidheswar Behera

This paper investigates the soliton dynamics of the geophysical Korteweg–de Vries (GKdV) equation, focussing specifically on different types of soliton solutions that emerge within its framework: trigonometric, hyperbolic and rational solutions. Specifically, the study aims to examine elementary tsunami patterns such as rough waves, singular solitonic waves, periodic waves, sinusoidal waves and kink patterns. The coastal regions have experienced extensive urbanisation and rapid population growth, driven by the advancements of global economy. Consequently, this region is particularly susceptible to severe damages from a range of natural disasters, with tsunamis posing a significant threat. This vulnerability is evident by the occurrence of several devastating tsunami events in the 21st century, which have highlighted the exposure of certain regions to such catastrophic events. In this study, both the first integral method and the sub-ODE method are thoroughly discussed and applied to the GKdV equation. These techniques are employed to derive and analyse exact solutions, providing a deeper understanding of the behaviour and dynamics of the equation in geophysical contexts. The obtained results will enrich the understanding of the dynamics of tsunami models and provide deep insights into the propagation of nonlinear tsunami waves. The Coriolis parameter and the velocity of the travelling wave are considered to have a significant impact on tsunami waves. This study further enhances the understanding of nonlinear wave properties in a geophysical context by integrating phase portrait analysis, waveform characteristics and stability evaluations.

本文研究了地球物理Korteweg-de Vries (GKdV)方程的孤子动力学,特别关注了在其框架内出现的不同类型的孤子解:三角解,双曲解和有理解。具体来说,这项研究的目的是检查基本的海啸模式,如巨浪,奇异孤子波,周期波,正弦波和扭结模式。在全球经济发展的推动下,沿海地区经历了广泛的城市化和人口的快速增长。因此,该地区特别容易受到一系列自然灾害的严重破坏,其中海啸构成了重大威胁。这种脆弱性在21世纪发生的几次毁灭性海啸事件中得到了明显体现,这些事件突出了某些地区面临此类灾难性事件的风险。本文对第一次积分法和子ode法进行了深入的讨论,并将其应用于GKdV方程。这些技术被用来推导和分析精确的解,提供对地球物理环境下方程的行为和动力学的更深层次的理解。所得结果将丰富对海啸模型动力学的理解,并对非线性海啸波的传播提供深刻的见解。科里奥利参数和行波速度被认为对海啸波有重要影响。本研究通过结合相像分析、波形特征和稳定性评估,进一步增强了对地球物理背景下非线性波特性的理解。
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引用次数: 0
On the invariant analysis and integrability of the time-fractional potential KdV equation 时间分数阶位KdV方程的不变分析与可积性
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-16 DOI: 10.1007/s12043-025-02948-x
Aneeqa Ihsan, Akhtar Hussain, A. H. Kara, F. D. Zaman

We perform a Lie point symmetry analysis of a time-fractional potential Korteweg–de Vries (FP-KdV) equation with the Riemann–Liouville derivative. By transforming the dependent variable, we map the time-fractional FP-KdV equation to a nonlinear ordinary differential equation (ODE) of fractional order using underlying symmetry generators. We obtain the derivative in the Erdélyi–Kober operator. We then construct the solution of the reduced fractional ODE by applying the power series method. The conservation laws (CLs) for the time-fractional FP-KdV equation are determined via Ibragimov’s non-local conservation method to time-fractional partial differential equations (FPDEs). Solutions for FPDEs via CLs have yet to be explored. Additionally, we present graphical representations of the results obtained using the power series solution method.

我们对具有Riemann-Liouville导数的时间分数阶位Korteweg-de Vries (FP-KdV)方程进行了李点对称分析。通过变换因变量,利用底层对称发生器将时间分数阶FP-KdV方程映射为分数阶非线性常微分方程(ODE)。我们得到了erdsamlyi - kober算子的导数。然后利用幂级数法构造了分数阶ODE的解。利用时间分数阶偏微分方程的Ibragimov非局域守恒方法,确定了时间分数阶FP-KdV方程的守恒律。通过cl实现FPDEs的解决方案还有待探索。此外,我们给出了用幂级数解法得到的结果的图形表示。
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引用次数: 0
Investigating the spectral statistics of (3_1^ - ) levels using random matrix theory in the odd–odd nuclei 利用随机矩阵理论研究奇-奇核中(3_1^ - )能级的谱统计
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-16 DOI: 10.1007/s12043-025-02958-9
M Sayedi, H Sabri

In this paper, the spectral statistics of all the observed (3_1^ - ) levels in the odd–odd nuclei have been analysed in the framework of random matrix theory. Also, the possible effects of the shell model configurations, mass regions, theoretical quadrupole deformation, experimental half-lives and major decay modes on the statistical situations related to negative parity states have been studied. In order to prepare different sequences, we have used the latest available empirical data on the (10 le A le 250) mass region for 216 nuclei. Using the maximum likelihood estimation technique, the parameter of the Berry–Robnik distribution function in different sequences has been extracted and the statistical situation of these sequences in comparison with regular and chaotic limits is described. Our results show the maximum chaoticity for these odd–odd nuclei in (100< A < 150) mass region, short-lived nuclei. These odd–odd nuclei have the maximum theoretical quadrupole deformations. Also, there are some suggestions on the effect of shell model configuration and decay modes on the statistical situation of these negative parity states in odd–odd nuclei.

本文在随机矩阵理论的框架下,分析了奇-奇核中所有观测到的(3_1^ - )能级的谱统计量。此外,还研究了壳层模型构型、质量区域、理论四极变形、实验半衰期和主要衰变模式对负奇偶态统计情况的可能影响。为了制备不同的序列,我们对216个原子核的(10 le A le 250)质量区使用了最新的经验数据。利用极大似然估计技术提取了不同序列的Berry-Robnik分布函数参数,并描述了这些序列与正则极限和混沌极限的统计情况。我们的结果表明,这些奇奇核在(100< A < 150)质量区,短寿命核中具有最大的混沌性。这些奇核具有最大的理论四极变形。此外,本文还就壳层模型构型和衰变模式对奇奇核负宇称态统计情况的影响提出了一些建议。
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引用次数: 0
Impacts of the Soret number, Dufour number, binary chemical reaction, Arrhenius activation energy and magnetohydrodynamics on the Williamson fluid over a circular porous stretching sheet in the presence of radiation Soret数、Dufour数、二元化学反应、Arrhenius活化能和磁流体力学对辐射作用下圆形多孔拉伸片上Williamson流体的影响
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-16 DOI: 10.1007/s12043-025-02938-z
Ankur Kumar Sarma, Dipak Sarma, Sunmoni Mudoi

This paper examines the effects of nonlinear radiation, heat sources, binary chemical reactions, Soret number, Dufour number and Arrhenius activation energy on Williamson fluid, as well as the transport of heat and mass via a circular porous radially stretched sheet using magnetohydrodynamics (MHD). It also applies a changing magnetic field to the circular, porous, stretched sheet. The similarity transformation transforms the nonlinear controlling boundary layer partial differential equations (PDEs) of momentum, temperature and concentration into a set of nonlinear ordinary differential equations (ODEs). The MATLAB bvp4c method then numerically solves the ODEs. We use graphs to illustrate the variations in flow, heat and concentration profiles resulting from various problem-related parameters, such as the Weissenberg number, magnetic parameter, Prandtl number, heat source, Eckert number, Soret number, Dufour number, radiation, temperature ratio, activation energy and chemical reaction parameters. We showed the effects on the skin friction coefficient, heat and mass transfer rate using tables for various values. When the porosity parameter, magnetic parameter and Weissenberg number increase, the fluid velocity drops. The temperature of the fluid increases as the Weissenberg number rises. As the activation energy parameter increases, the concentration profile increases. When compared to previous studies, the new results are considered quite good. Additionally, this work offers an intuitive explanation of the nonlinear radiation events in the Williamson fluid. With the ability to increase thermo-fluid flow system efficiency, the Williamson fluid has several applications in food industry, biomedicine and engineering appliances.

本文用磁流体力学方法研究了非线性辐射、热源、二元化学反应、Soret数、Dufour数和Arrhenius活化能对Williamson流体的影响,以及热和质量通过圆形多孔径向拉伸片的传递。它还对圆形多孔拉伸薄片施加一个变化的磁场。相似变换将控制动量、温度和浓度的非线性边界层偏微分方程转化为一组非线性常微分方程。然后用MATLAB bvp4c方法对ode进行数值求解。我们使用图表来说明由各种问题相关参数(如Weissenberg数、磁参数、普朗特数、热源、Eckert数、Soret数、Dufour数、辐射、温度比、活化能和化学反应参数)引起的流量、热量和浓度分布的变化。我们用表格显示了不同数值对表面摩擦系数、传热和传质率的影响。随着孔隙度参数、磁性参数和Weissenberg数的增大,流体速度减小。流体的温度随着Weissenberg数的增加而增加。随着活化能参数的增大,浓度曲线增大。与以前的研究相比,新的结果被认为是相当不错的。此外,这项工作为威廉姆森流体中的非线性辐射事件提供了直观的解释。由于能够提高热流体流动系统的效率,Williamson流体在食品工业,生物医药和工程设备中有多种应用。
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引用次数: 0
Potential alteration of the bottomonium states in XeXe collisions XeXe碰撞中底铵态的潜在改变
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-16 DOI: 10.1007/s12043-025-02953-0
Abdulla Abdulsalam, Eman Aljuhani

Researchers have investigated the suppression and survival of bottomonium in relativistic Heavy-Ion Collisions (HIC) to understand Quark-Gluon Plasma (QGP) characteristics better. The interplay between dissociation and recombination in QGP is typically explored using the Boltzmann transport equation, with a particular focus on the dissociation rates of newly formed bound states. This study considers the cumulative effects of gluon-induced dissociation, colour screening and recombination on bottomonium production in HIC. The model uses parameters of Xenon-Xenon (XeXe) collisions at (sqrt{s_{text {NN}}} = 5.44) TeV from the Large Hadron Collider (LHC). By employing the Bateman solution method to calculate recombination rates, this research provides a detailed analysis of the recombination and dissociation dynamics of the QGP and how they impact the bottomonium states in medium-sized collision systems like XeXe. The model successfully explains the observed suppression of (Upsilon (nS)) states in such a system.

为了更好地理解夸克-胶子等离子体(QGP)的特性,研究人员研究了相对论重离子碰撞(HIC)中底onium的抑制和存活。通常使用玻尔兹曼输运方程来探索QGP中解离和重组之间的相互作用,特别关注新形成的束缚态的解离速率。本研究考虑了胶子诱导解离、颜色筛选和重组对HIC中底铵生成的累积效应。该模型使用了大型强子对撞机(LHC)在(sqrt{s_{text {NN}}} = 5.44) TeV下氙-氙(XeXe)碰撞的参数。本研究采用贝特曼解方法计算重组速率,详细分析了QGP的重组和解离动力学,以及它们如何影响XeXe等中型碰撞系统中的底铵态。该模型成功地解释了在这种系统中观察到的(Upsilon (nS))状态的抑制。
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引用次数: 0
Dynamics of network growth and evolution: integrating non-constant edge growth, mixed attachment and reciprocity 网络成长与演化的动力学:整合非恒定边缘成长、混合依附与互惠
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-15 DOI: 10.1007/s12043-025-02935-2
Jan Medina-López, Diego Ruiz

Advancements in network science research have enriched our understanding of the mechanisms shaping the topological properties of networks over the past two decades. However, the existing models still grapple with limitations in fully capturing the diverse structures and behaviours observed in real-world networks. This paper addresses these limitations by examining network growth in networks characterised by a distinct in-degree distribution, exhibiting expected new edges in the head and an extended exponential or power-law behaviour in the tail. To overcome these complexities, we propose a comprehensive model encompassing non-constant edge establishment driven by mixed attachment and reciprocal mechanisms. This extension offers a more accurate representation of real-world networks. Utilising various discrete probability distributions, including Poisson, binomial, zeta and log-series, our model accommodates variations in the number of new edges, providing a realistic depiction of network evolution. Analytical expressions for the limit in- and out-degree distributions and evolving dynamics of cumulative complementary in- and out-degree distributions are derived. These findings enable a detailed assessment of each mechanism’s contribution to the head and tail of the in- and out-degree distributions. Furthermore, we validate the practical relevance of our model by fitting it to real-world networks, emphasising the impact of the number of new edges and reciprocity.

在过去的二十年里,网络科学研究的进步丰富了我们对网络拓扑特性形成机制的理解。然而,现有的模型在充分捕捉现实世界网络中观察到的各种结构和行为方面仍然存在局限性。本文通过检查以明显的度分布为特征的网络中的网络增长来解决这些限制,在头部表现出预期的新边缘,在尾部表现出扩展的指数或幂律行为。为了克服这些复杂性,我们提出了一个包含由混合依恋和互惠机制驱动的非恒定边缘建立的综合模型。这个扩展提供了一个更准确的现实世界的网络表示。利用各种离散概率分布,包括泊松,二项,zeta和对数序列,我们的模型适应新边数量的变化,提供网络进化的现实描述。导出了极限进出度分布的解析表达式和累积互补进出度分布的演化动力学。这些发现可以详细评估每种机制对进出度分布的头部和尾部的贡献。此外,我们通过将模型拟合到现实世界的网络来验证模型的实际相关性,强调新边缘数量和互惠性的影响。
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引用次数: 0
Investigating nonlinear wave structures via auto-Bäcklund transformation and Hirota bilinear method in the coupled Boussinesq system 利用auto-Bäcklund变换和Hirota双线性方法研究耦合Boussinesq系统中的非线性波结构
IF 2.1 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2025-07-15 DOI: 10.1007/s12043-025-02936-1
Snehalata Nasipuri, Prasanta Chatterjee

We investigate various nonlinear wave structures of the coupled Boussinesq system (CBS) using two efficient techniques: the auto-Bäcklund transformation and the Hirota bilinear method (HBM). Various travelling wave solutions, including kink waves, solitary waves with lump excitation and multi-shock waves, are obtained for the CBS using the auto-Bäcklund transformation. We also obtain the interaction between two-soliton solutions utilising this technique. Initially, we have shown that the CBS passes the Painlevé test for integrability. Then, we derive the auto-Bäcklund transformation for CBS through the truncated Painlevé expansion. Next, we observe the interaction and propagation behaviours of multi-soliton solutions for CBS using the HBM. The existence of multi-soliton solutions establishes that the CBS is also integrable in the Hirota sense. Interestingly, we observe that the HBM offers a more comprehensive framework for exploring diverse interactions between bright solitons and dark solitons, compared to the auto-Bäcklund approach. The multi-solitons and solitary waves with lump excitation obtained in this study can be used to describe surface water waves, while the kink wave and multi-shock waves represent topological changes in the water surface modelled by the CBS. Our findings on nonlinear structures for the CBS, provide valuable insights into the behaviour of nonlinear waves in water dynamics and are important for analysing various phenomena, such as ocean waves and waves in coastal areas.

利用auto-Bäcklund变换和Hirota双线性方法(HBM)研究了耦合Boussinesq系统(CBS)的各种非线性波结构。利用auto-Bäcklund变换得到了CBS的各种行波解,包括扭结波、块状激发孤立波和多重激波。我们还利用这种技术得到了双孤子解之间的相互作用。最初,我们已经证明了CBS通过了painlev可积性测试。然后,通过截断的painlev展开,推导出CBS的auto-Bäcklund变换。接下来,我们使用HBM观察了CBS的多孤子解的相互作用和传播行为。多孤子解的存在性证明了CBS在Hirota意义上也是可积的。有趣的是,我们观察到,与auto-Bäcklund方法相比,HBM提供了一个更全面的框架来探索亮孤子和暗孤子之间的各种相互作用。本研究得到的多孤子和块状激励下的孤立波可以用来描述表面水波,而扭结波和多激波则代表了CBS模拟的水面拓扑变化。我们在CBS的非线性结构上的发现,为非线性波在水动力学中的行为提供了有价值的见解,对于分析各种现象,如海浪和沿海地区的波浪,具有重要意义。
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引用次数: 0
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