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Hyperbolic dispersion and negative refraction in a periodic perfect magnetic conductor and perfect electric conductor parallel-plate waveguide structure 周期完美磁导体和完美电导体平行板波导结构中的双曲色散和负折射
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108459
Seong-Han Kim, Chul-Sik Kee
We present a numerical demonstration that a periodic structure composed of alternating perfect magnetic conductor (PMC) and perfect electric conductor (PEC) parallel-plate waveguides (PPWs), filled with dielectric materials of permittivity ɛ1 and ɛ2, and separated by a gap h, exhibits hyperbolic dispersion and negative refraction. This phenomenon is enabled by surface waves confined at the PMC–PEC interfaces and disappears when the dielectric permittivities are equal (ɛ1=ɛ2), eliminating surface wave support. Furthermore, the hyperbolic nature of the dispersion is confirmed by simulated radiation patterns from a point dipole source embedded in the periodic structure.
本文给出了一个由交变完美磁导体(PMC)和完美电导体(PEC)平行板波导(PPWs)组成的周期结构的数值证明,该结构填充介电常数为1和2的介电材料,并以间隙h隔开,具有双曲色散和负折射。这种现象是由局限在PMC-PEC界面的表面波实现的,当介电常数相等(1= 2)时,这种现象消失,消除了表面波的支持。此外,双曲性质的色散是由模拟辐射模式从一个点偶极子源嵌入在周期结构证实。
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引用次数: 0
Recurrent neural network approach to thermal radiation in hybrid nanofluids with activation energy between two rotating disks 具有两个旋转圆盘之间活化能的混合纳米流体热辐射的递归神经网络方法
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108451
Talha Anwar , Kashif Ullah , Mehreen Fiza , Hakeem Ullah , Ibrahim Mahariq , Seham M. Al Mekhlafi

Significance

The outstanding thermal conductivity and heat transfer properties of nanofluid make them highly useful for applications in thermal engineering and other areas. With their improved effectiveness, nanofluid significantly enhance the performance of heating, cooling, and overall thermal regulation systems. Hybrid nanofluids are used in industry as heat-transport fluids in gas turbine rotators and rotating machinery. Recurrent neural network has garnered significant attention in academic research for their ability in modeling complex, nonlinear systems. Their adaptability makes them highly appropriate for advanced domains such as fluid dynamics, natural language processing, biological computing, control systems, multimedia and biotechnology, where pattern learning and recognition are critical.

Purpose

This study explores heat transport in ternary hybrid nanofluid comprising capper, silver, and alumina nanoparticles between two stretching spinning disks at a constant distance. It integrates the effects of thermal radiation, joule effect, heat source, and activation energy to assess their combined influence on flow and thermal characteristics. The work further investgates the capability of a recurrent neural networks enhanced with the Levenberg-Marquardt method (RNN-LMM) to accurately model and predict these complex thermos fluid phenamena.

Methodology

Through similarity transformation, the governing partial differential equations are reduced to dimensionless ordinary differntiao equations, which are then solved using the RNN-LMM. Data for the study, was obtained using the Adams numerical method and further optimized through the recurrent neural network’s framework. The model was trained on eighty percent of the dataset, with ten percent allocated for testing and ten percent for validation. Performance assessment was conducted using mean squared error (MSE), regression analysis, and histogram-based error distribution, with accuracy in the range of E−3 to E−7. Graphical analysis was employed to investigate the influence of key physical parameters on velocity, temperature, and concentration fields.
Finding: Results reveal that an increase in the magnetic parameter augments both velocity and temperature distributions. The Reynolds number significantly affects radial, tangential and axial velocity components, promoting overall fluid motion. Activation energy positive effect ternary hybrid nanofluid (THNF) concentration, whereas the Schmidt number and chemical reaction rate decrease it, highlighting their opposing effects. All examined factors contribute to elevated temperature profiles. The reduced MSE indicates that RNN-LMM predictions closely match true values, confirming the methods reliability and accuracy.
纳米流体优异的导热性能和传热性能使其在热工等领域具有广泛的应用前景。纳米流体的效率提高,显著提高了加热、冷却和整体热调节系统的性能。混合纳米流体在工业上用作燃气轮机转子和旋转机械的传热流体。递归神经网络以其对复杂非线性系统建模的能力在学术研究中引起了极大的关注。它们的适应性使其非常适合于流体动力学、自然语言处理、生物计算、控制系统、多媒体和生物技术等高级领域,在这些领域中模式学习和识别至关重要。目的研究由盖普、银和氧化铝纳米颗粒组成的三元杂化纳米流体在两个拉伸旋转圆盘之间以恒定距离进行的热传递。它综合了热辐射、焦耳效应、热源和活化能的影响,以评估它们对流动和热特性的综合影响。这项工作进一步研究了用Levenberg-Marquardt方法(RNN-LMM)增强的递归神经网络精确建模和预测这些复杂热流体现象的能力。方法通过相似变换,将控制偏微分方程简化为无量纲常微分方程,利用RNN-LMM进行求解。研究数据采用Adams数值法获取,并通过递归神经网络框架进一步优化。该模型在80%的数据集上进行了训练,其中10%用于测试,10%用于验证。使用均方误差(MSE)、回归分析和基于直方图的误差分布进行性能评估,准确度在E−3至E−7之间。采用图形分析方法考察了关键物理参数对速度场、温度场和浓度场的影响。结果表明,磁参数的增加增加了速度和温度的分布。雷诺数显著影响径向、切向和轴向速度分量,促进流体整体运动。活化能正影响三元杂化纳米流体(THNF)的浓度,而施密特数和化学反应速率则使其降低,两者的作用相反。所有研究的因素都导致温度升高。减小的MSE表明RNN-LMM预测与真实值接近,证实了该方法的可靠性和准确性。
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引用次数: 0
Tribological performance of AISI 4140 steel quenching hardened with NaOH solution and coated with AlTiCrN by PVD method NaOH淬火后PVD涂层AlTiCrN的摩擦学性能
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108466
Emre Deniz Yalçın
In this detailed study, the physical, mechanical, and tribological properties of AISI 4140 steel samples subjected to quench hardening with 10 wt% sodium hydroxide (NaOH) solution and then coated with Aluminium Titanium Chromium Nitride (AlTiCrN) using Physical Vapour Deposition (PVD) technique were investigated. The study included microstructure characterization, phase analysis, coating thickness linear measurements, microhardness, tribological analysis, and evaluation of worn surface examinations, aiming to distinguish the combined effect of AlTiCrN coating and hardening process. The surface properties, elemental distribution, and post-wear tribological properties of the coating layer were investigated in detail using X-ray Diffraction (XRD) and Energy Dispersive Spectroscopy (EDS) techniques assisted by Scanning Electron Microscopy (SEM). Tribological tests were carried out with a liner wear tribometer at three different wear distances of 500, 1000, and 1500 m under 30 N load. When the results were examined, the hardness obtained from the sample without any heat treatment was 480 HV, while the hardness of the sample hardened by heat treatment with NaOH solution was measured as 696 HV. The hardness of the sample hardened with NaOH solution and coated with AlTiCrN was measured as 1732 HV. It was observed that NaOH solution heat treatment caused a significant increase in the hardness values of the samples. As a result, NaOH solution heat treatment was observed to be a highly effective correlation in improving the physical, mechanical, and tribological properties of AlTiCrN coating and 4140 steel.
本研究采用物理气相沉积(PVD)技术对AISI 4140钢试样进行了物理、机械和摩擦学性能的研究,该试样经10wt %的氢氧化钠(NaOH)溶液淬火,然后涂覆氮化铝钛铬(AlTiCrN)。研究包括微观组织表征、相分析、涂层厚度线性测量、显微硬度、摩擦学分析和磨损表面评价等,旨在区分AlTiCrN涂层与硬化过程的联合作用。利用x射线衍射(XRD)和能量色散能谱(EDS)技术和扫描电镜(SEM)对涂层的表面性能、元素分布和磨损后的摩擦学性能进行了详细的研究。在30 N载荷下,使用衬管磨损摩擦计在500、1000和1500 m三种不同的磨损距离下进行了摩擦学测试。结果表明,未经热处理的试样硬度为480 HV,经NaOH溶液热处理后的试样硬度为696 HV。经NaOH溶液硬化并包覆AlTiCrN的试样硬度为1732 HV。结果表明,NaOH固溶热处理使试样的硬度值显著提高。结果表明,NaOH固溶热处理在改善AlTiCrN涂层和4140钢的物理、机械和摩擦学性能方面具有非常有效的相关性。
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引用次数: 0
Entropy generation and heat transfer investigation of a nanofluid subject to an exponential magnetic field 指数磁场作用下纳米流体的熵产与传热研究
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108449
Sina Gouran , Mohamed Bechir Ben Hamida , Hijaz Ahmad , Saad Alshahrani
Considering the nanofluid working through two coaxial cylinders, the particular contribution of the present work is to evaluate the combined effects of the heat generation/absorption and exponential magnetic field on the overall thermal performance. After reintroducing the non-dimensional form of governing equations, the Differential Quadrature Method is used as a numerical procedure to acquire the flow field characteristics. A suitable agreement is found by comparing the present findings with those from previous work. At the same Reynolds number, heat transfer rate increases by 24 % using AA7072 nanoparticles, while 21 percent enhancement is reported for the heat transfer rate in the presence of Al2O3 nanoparticles. Adding 0.1 percent nanoparticles to the base flow for the different heat generation/absorption parameters 1, 3, and 6, results in an improvement in the heat transfer rate to 21, 18, and 14 percent, respectively. Entropy generation is also a key factor in energy management in every thermal process. Therefore, entropy generation due to different heat generation/absorption and magnetic parameters is analyzed. Moreover, the role of heat transfer irreversibility on the overall energy losses is investigated.
考虑到纳米流体在两个同轴圆柱体中工作,本工作的特别贡献在于评估热产生/吸收和指数磁场对整体热性能的综合影响。在重新引入无量纲形式的控制方程后,采用微分正交法作为一种数值计算方法来获取流场特性。通过将本研究结果与以往的研究结果进行比较,发现了一个合适的一致性。在相同的雷诺数下,AA7072纳米颗粒的传热率提高了24%,而Al2O3纳米颗粒的传热率提高了21%。在不同的产热/吸收参数1、3和6中,在基流中加入0.1%的纳米颗粒,传热率分别提高到21%、18%和14%。熵的产生也是每一个热过程中能量管理的关键因素。因此,分析了不同产热/吸热和磁参数下的熵产。此外,还研究了传热不可逆性对总能量损失的影响。
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引用次数: 0
First-principles investigation of Sn4+ doping effects on the optoelectronic properties of BaHfS3, BaZrS3, and CaHfS3 chalcogenide perovskites Sn4+掺杂对BaHfS3、BaZrS3和CaHfS3硫系钙钛矿光电性能影响的第一性原理研究
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108462
Mehrunisa Moin , Hairong Zhao , Muhammad Moin , Lizhuang Dong , Abdul Waheed Anwar , Udayabhaskararao Thumu
Chalcogenide perovskites of the form ABS3 have recently gained attention as a promising class of hybrid materials, owing to their excellent structural stability, environmentally benign composition, and intriguing optoelectronic characteristics. In this study, we present a systematic investigation of pristine and Sn-doped BaHf1-xSnxS3, BaZr1-xSnxS3, and CaHf1-xSnxS3 (with x = 0.0, 0.25, 0.50, and 0.75) materials, focusing on the tunability of their band gaps and associated physical properties. Using ab initio density functional theory (DFT), we explore their structural, electronic, mechanical, optical, and thermodynamic behavior. The incorporation of Sn doping significantly improves lattice coefficients and volumes, positively influencing structural responses. The calculated electronic band gaps decrease significantly with increasing Sn doping (up to x = 0.75), ranging from 1.99 eV in the pristine phases to as low as 0.78 eV, indicating enhanced electronic conductivity. Mechanical property analyses, including the Pugh ratio B/G), Poisson ratio (ν), and Cauchy pressure, reveal that BaHf1-xSnxS3 and BaZr1-xSnxS3 exhibit ductile characteristics, whereas CaHfS3 maintains mechanical stability with a brittle nature. Optical properties evaluated in the 0 to 40 eV energy range display high absorption coefficients, significant optical conductivity, and notable reflectivity, indicating promising optoelectronic performance. Thermodynamic analyses covering Debye temperature, specific heat capacity, entropy, enthalpy, Gibbs free energy, and phonon spectra highlight a transition from thermodynamic instability in pristine structures to enhanced stability upon Sn doping. Overall, the integration of structural tunability, improved electronic and optical performance, and enhanced thermodynamic stability in these chalcogenide perovskites underscores their strong potential for next-generation optoelectronic devices.
ABS3形式的硫系钙钛矿由于其优异的结构稳定性、环境友好的成分和有趣的光电特性,近年来作为一类有前途的杂化材料而受到关注。在这项研究中,我们系统地研究了原始的和掺杂了sn的BaHf1-xSnxS3、BaZr1-xSnxS3和CaHf1-xSnxS3 (x = 0.0、0.25、0.50和0.75)材料,重点研究了它们的带隙可调性和相关的物理性质。利用从头算密度泛函理论(DFT),我们探索了它们的结构、电子、机械、光学和热力学行为。锡掺杂显著提高了晶格系数和体积,对结构响应有积极影响。随着Sn掺杂量的增加(x = 0.75),计算得到的电子带隙显著减小,从原始相的1.99 eV到0.78 eV,表明电子导电性增强。力学性能分析(包括Pugh比B/G)、泊松比(ν)和柯西压力)表明,BaHf1-xSnxS3和BaZr1-xSnxS3表现出延性特征,而CaHfS3保持力学稳定性,具有脆性。在0 ~ 40 eV的能量范围内,该材料的光学特性显示出较高的吸收系数、显著的光学导电性和显著的反射率,表明其具有良好的光电性能。热力学分析包括德拜温度、比热容、熵、焓、吉布斯自由能和声子光谱,强调了从原始结构的热力学不稳定性到锡掺杂后的增强稳定性的转变。总的来说,这些硫系钙钛矿的结构可调性、改进的电子和光学性能以及增强的热力学稳定性的集成强调了它们在下一代光电器件中的强大潜力。
{"title":"First-principles investigation of Sn4+ doping effects on the optoelectronic properties of BaHfS3, BaZrS3, and CaHfS3 chalcogenide perovskites","authors":"Mehrunisa Moin ,&nbsp;Hairong Zhao ,&nbsp;Muhammad Moin ,&nbsp;Lizhuang Dong ,&nbsp;Abdul Waheed Anwar ,&nbsp;Udayabhaskararao Thumu","doi":"10.1016/j.rinp.2025.108462","DOIUrl":"10.1016/j.rinp.2025.108462","url":null,"abstract":"<div><div>Chalcogenide perovskites of the form ABS<sub>3</sub> have recently gained attention as a promising class of hybrid materials, owing to their excellent structural stability, environmentally benign composition, and intriguing optoelectronic characteristics. In this study, we present a systematic investigation of pristine and Sn-doped BaHf<sub>1-x</sub>Sn<sub>x</sub>S<sub>3</sub>, BaZr<sub>1-x</sub>Sn<sub>x</sub>S<sub>3</sub>, and CaHf<sub>1-x</sub>Sn<sub>x</sub>S<sub>3</sub> (with x = 0.0, 0.25, 0.50, and 0.75) materials, focusing on the tunability of their band gaps and associated physical properties. Using ab initio density functional theory (DFT), we explore their structural, electronic, mechanical, optical, and thermodynamic behavior. The incorporation of Sn doping significantly improves lattice coefficients and volumes, positively influencing structural responses. The calculated electronic band gaps decrease significantly with increasing Sn doping (up to x = 0.75), ranging from 1.99 eV in the pristine phases to as low as 0.78 eV, indicating enhanced electronic conductivity. Mechanical property analyses, including the Pugh ratio B/G), Poisson ratio (ν), and Cauchy pressure, reveal that BaHf<sub>1-x</sub>Sn<sub>x</sub>S<sub>3</sub> and BaZr<sub>1-x</sub>Sn<sub>x</sub>S<sub>3</sub> exhibit ductile characteristics, whereas CaHfS<sub>3</sub> maintains mechanical stability with a brittle nature. Optical properties evaluated in the 0 to 40 eV energy range display high absorption coefficients, significant optical conductivity, and notable reflectivity, indicating promising optoelectronic performance. Thermodynamic analyses covering Debye temperature, specific heat capacity, entropy, enthalpy, Gibbs free energy, and phonon spectra highlight a transition from thermodynamic instability in pristine structures to enhanced stability upon Sn doping. Overall, the integration of structural tunability, improved electronic and optical performance, and enhanced thermodynamic stability in these chalcogenide perovskites underscores their strong potential for next-generation optoelectronic devices.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108462"},"PeriodicalIF":4.6,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145221623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced surface plasmon resonance sensor performance using reduced graphene oxide (rGO) layers for aflatoxin detection 利用还原氧化石墨烯(rGO)层增强表面等离子体共振传感器性能,用于黄曲霉毒素检测
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108461
Retna Apsari , Syahidatun Na’imah , Andi Hamim Zaidan , Samian , Masruroh , Sulaiman Wadi Harun , Norhana Arsad , Liaqat Ali , Tarek Mohamed
This study investigates the use of a surface plasmon resonance (SPR) sensor based on the Kretschmann configuration, featuring a gold coating and a reduced graphene oxide (rGO) sensing layer, for detecting low concentrations of aflatoxin B1. A BK-7 prism, coated with a 50 nm thick gold layer, was employed to induce resonance between incident light and the free electrons in the gold. The addition of a reduced graphene oxide layer on top of the gold further enhanced the sensor’s sensitivity. This enhancement is attributed to the reduction of oxygen groups in the rGO, creating vacancy defects that trap the analyte molecules, particularly aflatoxin B1. Experimental results showed a resonance angle shift corresponding to changes in refractive index, yielding a sensitivity of 700.39°/RIU, a linearity value of 0.9005, and a resolution of 0.6228 ppm. These findings suggest that the Au/rGO-coated SPR sensor holds great promise for detecting mycotoxins such as aflatoxin B1, making it suitable for industrial applications.
本研究研究了基于Kretschmann结构的表面等离子体共振(SPR)传感器的使用,该传感器具有金涂层和还原氧化石墨烯(rGO)传感层,用于检测低浓度的黄曲霉毒素B1。采用BK-7棱镜包覆50 nm厚的金层,诱导入射光与金中的自由电子发生共振。在金上添加还原氧化石墨烯层进一步提高了传感器的灵敏度。这种增强是由于氧化石墨烯中氧基的减少,产生空位缺陷,从而捕获分析物分子,特别是黄曲霉毒素B1。实验结果表明,共振角随折射率变化而变化,灵敏度为700.39°/RIU,线性度为0.9005,分辨率为0.6228 ppm。这些发现表明,Au/ rgo涂层的SPR传感器在检测黄曲霉毒素B1等霉菌毒素方面具有很大的前景,使其适合工业应用。
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引用次数: 0
Two-dimensional lagrangian velocity field measurement based on femtosecond laser-induced cyano chemiluminescence technique 基于飞秒激光诱导氰基化学发光技术的二维拉格朗日速度场测量
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108471
Kun Li , Bo Li , Xiaofeng Li , Lei Zhang , Tengfei Wu , Lei Han , Qiang Gao
Measurements of the Lagrangian velocity field in supersonic flows can help to gain a deeper understanding of the internal structure of the flow field, thus supporting aspects of fluid dynamics research and design optimization for engineering applications. However, the measurement technology of the multidimensional Lagrangian velocity field in the supersonic flow field needs to be further improved, especially in the inversion algorithm used to reconstruct the velocity field. Here, we report the two-dimensional Lagrangian velocity field reconstruction of the supersonic flow field by the Femtosecond Laser-Induced Cyano Chemiluminescence (FLICC) technique. The femtosecond laser self-focuses into a filament and then interacts with CH4/N2 gas in the flow field and induces a chemical reaction that generates CN molecular luminescent tagging lines with strong fluorescence intensity and long lifetime. The luminous line moves with the flow in the flow field. The displacement of the luminous line is tracked, and an image of luminous lines is obtained using an Intensified Charge-Coupled Device (ICCD) camera with multiple exposures. Based on the line shapes and displacements of the luminous lines in the image, the luminous lines are discretized into multiple sets of interrelated representation points. These points are then used to calculate the axial and radial velocity components and subsequently reconstruct the 2D velocity field. The relative uncertainty of the axial velocity obtained by this method is 0.11 % in a supersonic flow field with a speed of 530 m/s.
测量超声速流动中的拉格朗日速度场有助于更深入地了解流场的内部结构,从而支持流体动力学研究和工程应用的设计优化。然而,超声速流场中多维拉格朗日速度场的测量技术还有待进一步完善,尤其是用于重建速度场的反演算法。本文报道了利用飞秒激光诱导氰基化学发光(FLICC)技术重建超声速流场的二维拉格朗日速度场。飞秒激光自聚焦成灯丝,与流场中的CH4/N2气体相互作用,诱导化学反应生成荧光强度强、寿命长的CN分子发光标记线。发光线在流场中随流运动。利用增强电荷耦合器件(ICCD)多曝光相机对发光线的位移进行跟踪,得到了发光线的图像。根据图像中发光线的线形和位移,将发光线离散成多组相互关联的表示点。然后利用这些点计算轴向和径向速度分量,从而重建二维速度场。在速度为530 m/s的超声速流场中,用该方法得到的轴向速度的相对不确定度为0.11%。
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引用次数: 0
Micromagnetic study of iron nanoparticles: Influence of size and shape 铁纳米颗粒的微磁研究:尺寸和形状的影响
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108460
Mauricio Galvis , Vladimir Ballesteros , Fredy Mesa , Jorge Nisperuza , Johans Restrepo
We report computational micromagnetic simulations of iron nanoparticles with cubic and spherical geometries. The simulations were performed using the open source Ubermag package, which integrates the Object Oriented Micromagnetic Framework (OOMMF) as its computational back-end. All calculations were carried out under free boundary conditions at zero temperature, and the magnetization dynamics was solved through the Landau–Lifshitz–Gilbert (LLG) equation. The Hamiltonian of the system includes four contributions: Zeeman energy, magnetocrystalline anisotropy, demagnetizing energy, and exchange energy.
Our results demonstrate a strong dependence of magnetic responses, specifically coercivity and remanence, on particle size and shape. These quantities are not intrinsic material constants, but are significantly influenced by factors such as geometry and dimensions. The observed trends are explained by the competition among the different energy terms, which collectively minimize the total energy of the system and drive the formation of magnetic domains and domain walls. In addition, the simulations reveal the emergence of complex magnetization textures, including vortex-like states intrinsically linked to the interplay of competing energy contributions. Such textures play a pivotal role in the regulation of the reversal mechanisms and magnetic performance of the nanoparticles, offering deeper insight into the fundamental processes underpinning their magnetization dynamics.
我们报告了具有立方和球形几何形状的铁纳米颗粒的计算微磁模拟。仿真使用开源的Ubermag包进行,该包集成了面向对象微磁框架(OOMMF)作为其计算后端。所有计算均在零温度下的自由边界条件下进行,磁化动力学采用Landau-Lifshitz-Gilbert (LLG)方程求解。体系的哈密顿量包括四种贡献:塞曼能、磁晶各向异性、退磁能和交换能。我们的研究结果表明,磁性响应,特别是矫顽力和剩余物,对颗粒大小和形状有很强的依赖性。这些量不是固有的材料常数,而是受到几何和尺寸等因素的显著影响。观察到的趋势可以用不同能量项之间的竞争来解释,它们共同使系统的总能量最小化,并驱动磁畴和畴壁的形成。此外,模拟还揭示了复杂磁化结构的出现,包括与相互竞争的能量贡献内在联系的涡状状态。这种结构在纳米颗粒的反转机制和磁性性能的调节中起着关键作用,为其磁化动力学的基本过程提供了更深入的了解。
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引用次数: 0
Promoted current-induced spin polarization in inversion symmetry broken topological insulator thin films 逆对称破缺拓扑绝缘体薄膜中促进电流诱导自旋极化
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108445
Maryam Heydari , Hanieh Moghaddasi , Mir Vahid Hosseini , Mehdi Askari
We theoretically investigate current-induced spin polarization in disordered topological insulator thin films with broken inversion symmetry under an applied in-plane electric field. Utilizing the Kubo formalism within the self-consistent Born approximation and incorporating vertex corrections to account for multiple scattering events, we analyze how disorder, chemical potential, the electrostatic potential difference between the top and bottom surfaces, and momentum-dependent hybridization affect the spin susceptibility. Our results reveal that the spin susceptibility exhibits nonzero values within a finite range around a zero gap, and this range broadens as the chemical potential increases. A higher hybridization strength induces asymmetry in the spin response. A stronger potential difference, breaking inversion symmetry, significantly enhances polarization. This enhancement is a trend attributable to band inversion and is further refined by vertex corrections. These findings provide a theoretical framework for tuning spin-charge conversion in topological thin films, with implications for spintronic device applications.
从理论上研究了面内电场作用下逆对称破缺的无序拓扑绝缘体薄膜中电流诱导的自旋极化现象。利用自一致玻恩近似中的Kubo形式并结合顶点修正来解释多重散射事件,我们分析了无序性、化学势、上下表面之间的静电电位差和动量依赖杂化如何影响自旋磁化率。我们的结果表明,自旋磁化率在零间隙附近的有限范围内呈现非零值,并且随着化学势的增加,该范围变宽。较高的杂化强度引起自旋响应的不对称性。更强的电位差打破了反演对称性,显著增强了极化。这种增强是归因于波段反演的趋势,并通过顶点校正进一步细化。这些发现为调整拓扑薄膜中的自旋电荷转换提供了理论框架,对自旋电子器件的应用具有重要意义。
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引用次数: 0
Martensitic transformation and good ductility in all-d-metal NiMn-based Heusler magnetic shape memory alloys from first-principles prediction 基于第一性原理的全金属nimn基Heusler磁性形状记忆合金的马氏体相变和良好延展性
IF 4.6 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-01 DOI: 10.1016/j.rinp.2025.108447
Chun-Mei Li, Yu-Tong Liu, Zi-Ran Li, Ren-Zhong Huang
The possible martensitic transformation (MT) and ductile properties of all-d-metal Ni2MnZ (Z=Sc, Ti, V, Cr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Re, Os, Ir, and Pt) Heusler alloys have been systematically investigated using first-principles calculations. In the cubic austenite, the alloys with Z=Sc, Ti, Y, Zr, Nb, Pd, and Pt possess the ferromagnetic (FM) Cu2MnAl structure, whereas the remaining alloys have the antiferromagnetic (AFM) Hg2CuTi structure. All the thirteen FM alloys, excluding Z=Sc, Y, and Zr, can undergo MT. Compared to Ni2MnTi, most of these alloys display larger transformation strains and higher MT temperatures (TM). They also demonstrate improved ductility, as indicated by higher Pugh ratios, Poisson’s ratios, and Pettifor’s Cauchy pressures in the austenite. Ni2MnNb alloy may exhibit enhanced elastocaloric, barocaloric, and magnetocaloric effects, accompanied by significant volume and magnetic discontinuities during the MT. It is also revealed that the paramagnetic (PM) ordering promotes MT, enabling it to occur in the PM alloys with Z=Sc, Y, and Zr. Under hydrostatic pressure, the FM Z=Zr alloy can also undergo MT. Mn-Z disorder reduces the driving force for MT, causing it to disappear in Ni2(Mn1yTiy)(Ti1yMny) when y0.3. The face-centered cubic (FCC) phase tends to precipitate when both the volume and magnetic moment of the structure are smaller than those of the martensite. This precipitation can be accelerated by phonon vibrations, which, nevertheless, further improve the good ductility of the martensite. The insights provide valuable guidance for the experimental design and application of these magnetic shape memory alloys with excellent mechanical properties.
采用第一性原理计算系统地研究了全金属Ni2MnZ (Z=Sc, Ti, V, Cr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Re, Os, Ir和Pt) Heusler合金可能的马氏体相变(MT)和延展性。在立方奥氏体中,含Z=Sc、Ti、Y、Zr、Nb、Pd和Pt的合金具有铁磁性(FM) Cu2MnAl结构,其余合金具有反铁磁性(AFM) Hg2CuTi结构。除Z=Sc、Y和Zr外,13种FM合金均能发生相变。与Ni2MnTi合金相比,大多数FM合金表现出更大的相变应变和更高的相变温度。它们也表现出了更好的延展性,如在奥氏体中更高的皮尤比、泊松比和Pettifor柯西压力所表明的那样。Ni2MnNb合金可能表现出增强的弹热效应、压热效应和磁热效应,并伴有显著的体积不连续和磁不连续。研究还表明,顺磁(PM)有序促进了磁转移,使其能够发生在Z=Sc、Y和Zr的PM合金中。在静水压力下,FM Z=Zr合金也会发生MT, Mn-Z无序降低了MT的驱动力,当y≥0.3时,MT在Ni2(Mn1−yTiy)(Ti1−yMny)中消失。当结构的体积和磁矩均小于马氏体时,面心立方相倾向于析出。声子振动可以加速这种析出,然而,这进一步提高了马氏体的良好延展性。这些见解为这些具有优异力学性能的磁性形状记忆合金的实验设计和应用提供了有价值的指导。
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Results in Physics
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