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Magnetized and quadratic convection based thermal transport in ternary radiative bio-nanofluid via intelligent neural networks: Two hidden layers mechanism 通过智能神经网络在三元辐射生物纳米流体中实现基于磁化和二次对流的热传输:双隐层机制
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-12 DOI: 10.1016/j.rinp.2024.107973

Significance

The thermal analysis of nanofluid in a vertical cylinder (artery) in a magnetized environment holds significant implications in physiological and thermal regulation networks. This research is significant in biomedical engineering with applications like medical diagnostics and treatment strategies.

Motive

This study investigates the thermal behavior of a magnetized blood-based ternary Carreau nanofluid flowing through a vertically bounded artery with quadratic convection. Velocity and heat transfer analysis is conducted within the artery, utilizing thermal radiation and quadratic convection in a magnetized setting. The base fluid consists of blood, augmented with three nanoparticles: CuO, Al2O3, and TiO2. The investigation centers on examining the properties of blood nanofluid, arterial geometry, and thermal dynamics.

Methodology

The physical model generates a set of partial differential equations (PDEs) and similarities mechanism is utilized to fetch its non dimensional form in terms of ordinary differential equations (ODEs). Furthermore, numerical outcomes are obtained with Matlab function bvp4c and obtained data set is trained through robust scheme Levenberg-Marquardt neural network (LMNN) procedure to predict the solution.

Findings

Velocity of blood is reduced with increased values of wiessenberg number, magnetic parameter and mixed convection parameter and velocity increases for Second-order convection parameter. Temperature profile decreases with curvature parameter, mixed convection parameter and permeability parameter.

意义在磁化环境中对垂直圆柱体(动脉)中的纳米流体进行热分析对生理和热调节网络具有重要意义。这项研究对生物医学工程具有重要意义,可应用于医疗诊断和治疗策略等领域。这项研究调查了磁化血液基三元 Carreau 纳米流体流经具有二次对流的垂直边界动脉时的热行为。利用磁化环境下的热辐射和二次对流,对动脉内的速度和传热进行了分析。基础流体由血液组成,并添加了三种纳米粒子:CuO、Al2O3 和 TiO2。研究重点是检查血液纳米流体的特性、动脉几何形状和热动力学。方法该物理模型生成了一组偏微分方程(PDE),并利用相似性机制以常微分方程(ODE)的形式获取其非维数形式。此外,还利用 Matlab 函数 bvp4c 获得了数值结果,并通过鲁棒方案 Levenberg-Marquardt 神经网络 (LMNN) 程序对获得的数据集进行训练,以预测解决方案。温度曲线随曲率参数、混合对流参数和渗透率参数的增大而减小。
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引用次数: 0
Probing the structural evolution, electronic and vibrational properties of neutral and anionic potassium-doped magnesium clusters 探究中性和阴离子掺钾镁团簇的结构演变、电子和振动特性
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-12 DOI: 10.1016/j.rinp.2024.107954

Geometries, stabilities, bonding nature, and vibrational properties of bimetallic KMgn0/– (n = 2–12) clusters have been comprehensively studied by CALYPSO code within DFT calculations. The results reveal the structural transition from 2D to 3D at n = 3. From n ≥ 8, the geometry of KMgn0/– transfers a hollow framework with a six-atom triangular prism unit. By comparing the geometry of neutral and anionic KMgn0/– clusters, most of them are structurally different. In all doped clusters, the K atoms tend to localize on the convex positions of the skeleton and play the role of electron donors. Two highly stable clusters KMg9 and KMg9 have been found, and studies showed that the prominent stability benefits from their compact magnesium structural motifs and quasi-full/full shell electronic configurations. Additionally, bonding nature analysis reflects there is much weak K-Mg interaction than Mg-Mg interaction in the KMg90/– clusters. The spectroscopic properties based on the PES, IR and Raman spectra have also been discussed.

利用 CALYPSO 代码在 DFT 计算中对双金属 KMgn0/-(n = 2-12)团簇的几何形状、稳定性、成键性质和振动特性进行了全面研究。结果表明,在 n = 3 时,结构从二维过渡到三维。从 n ≥ 8 开始,KMgn0/- 的几何结构转变为具有六原子三角棱柱单元的中空框架。通过比较中性和阴离子 KMgn0/- 簇的几何形状,发现它们在结构上大多不同。在所有掺杂的团簇中,K 原子都倾向于定位于骨架的凸面位置,并扮演电子供体的角色。研究发现,KMg9 和 KMg9- 是两个高度稳定的簇合物,其突出的稳定性得益于它们紧凑的镁结构模式和准全壳/全壳电子构型。此外,成键性质分析表明,KMg90/- 团簇中的 K-Mg 相互作用远弱于 Mg-Mg 相互作用。此外,还讨论了基于 PES、红外光谱和拉曼光谱的光谱特性。
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引用次数: 0
Enhancing thermoelectric performances of indium oxide through silicon incorporation 通过加入硅提高氧化铟的热电性能
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-12 DOI: 10.1016/j.rinp.2024.107969

Herein, the modification of indium oxide thermoelectric materials was carried out to investigate the effect of Si doping on the thermoelectric properties of In2O3. By precisely controlling the doping concentration of Si, a series of Si-doped In2O3 have been successfully prepared, and the thermoelectric properties have been systematically studied. The experimental results indicate that appropriate Si doping content can optimize the band structure and carrier concentration, significantly increase the electrical conductivity and power factor of In2O3, and effectively reduce the thermal conductivity, increase the thermoelectric value (ZT value) of the material with the highest value of ∼0.316 (973 K). In addition, Si doping could enhance the Vickers hardness of the material and improve the mechanical properties of the material. This study not only provides a new idea for optimizing the performances of indium oxide thermoelectric materials, but also provides a valuable reference for the development and application of thermoelectric materials.

本文以氧化铟热电材料的改性为研究对象,探讨了掺杂 Si 对 In2O3 热电性能的影响。通过精确控制硅的掺杂浓度,成功制备了一系列硅掺杂 In2O3,并对其热电性能进行了系统研究。实验结果表明,适当的硅掺杂量可以优化带状结构和载流子浓度,显著提高 In2O3 的电导率和功率因数,并有效降低热导率,提高材料的热电值(ZT 值),最高值可达 ∼0.316 (973 K)。此外,掺硅还能提高材料的维氏硬度,改善材料的机械性能。这项研究不仅为优化氧化铟热电材料的性能提供了新思路,也为热电材料的开发和应用提供了有价值的参考。
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引用次数: 0
Phase diagram of ruthenium characterized In Situ by synchrotron X-ray diffraction and Ab Initio simulations 利用同步辐射 X 射线衍射和 Ab Initio 模拟表征钌的原位相图
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-12 DOI: 10.1016/j.rinp.2024.107961

In this work, an in situ characterization of the high-pressure and high-temperature phase diagram of ruthenium was carried out. This experiment was performed using a combination of laser-heated diamond anvil cell (LH-DAC) and X-ray diffraction (XRD) techniques at the beamline ID27 of the European Synchrotron Radiation Facility (ESRF). XRD patterns were collected in the range of 15 GPa to 110 GPa and from ambient temperature up to 6600 K. While the hcp-fcc transition, predicted to occur at elevated temperatures was not observed, this study has produced the first experimental observation of a solid–liquid phase transition of Ru at HP conditions. A P-V-T equation of state valid up to 100 GPa and 3000 K is reported.

这项研究对钌的高压和高温相图进行了现场表征。该实验在欧洲同步辐射设施(ESRF)的 ID27 光束线结合使用了激光加热金刚石砧室(LH-DAC)和 X 射线衍射(XRD)技术。在 15 GPa 到 110 GPa 的范围内以及从环境温度到 6600 K 的温度范围内收集了 XRD 图样。虽然没有观察到预测会在高温下发生的 hcp-fcc 转变,但这项研究首次在实验中观察到了 Ru 在高温条件下的固液相变。报告中的 P-V-T 状态方程在 100 GPa 和 3000 K 下均有效。
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引用次数: 0
Novel direct and wide bandgap SiC semiconductors: High-throughput screening and density functional theory 新型直接宽带隙碳化硅半导体:高通量筛选和密度泛函理论
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-12 DOI: 10.1016/j.rinp.2024.107966

High-throughput computing has been widely used in the field of material design because of its feasibility, efficiency, accuracy and predictability. Fourteen new high-temperature SiC polymorphs were theoretically established via high-throughput screening, and density functional theory (DFT) was employed to investigate their physical properties. The new SiC polymorphs have mechanical and thermodynamic stability, and 10 of them can even maintain thermal stability at high temperatures up to 2000 K. The electronic band structure obtained by the Heyd–Scuseria–Ernzerhof (HSE06) hybrid functional shows that 13 of the new SiC polymorphs have a wide bandgap, 6 of which have a direct or quasi-direct bandgap. Notably, compared with those of 3C-SiC, the holes of I41/a-II SiC, I41/a-IV SiC, and P4/ncc-I SiC have lower effective masses in the [1 0 0] direction; in particular, the hole effective mass of P4/ncc-I SiC is only approximately 4.6 % of that of 3C-SiC. Owing to their direct wide bandgap, excellent thermal stability and low effective mass, the newly proposed SiC polymorphs have great application potential in the field of microelectronics.

高通量计算因其可行性、高效性、准确性和可预测性而被广泛应用于材料设计领域。通过高通量筛选从理论上建立了 14 种新型高温碳化硅多晶体,并采用密度泛函理论(DFT)研究了它们的物理性质。用Heyd-Scuseria-Ernzerhof(HSE06)混合函数得到的电子能带结构表明,13种新型SiC多晶体具有宽带隙,其中6种具有直接或准直接带隙。值得注意的是,与 3C-SiC 相比,I41/a-II SiC、I41/a-IV SiC 和 P4/ncc-I SiC 的空穴在[1 0 0]方向上的有效质量较低;特别是 P4/ncc-I SiC 的空穴有效质量仅为 3C-SiC 的约 4.6%。由于直接具有宽带隙、优异的热稳定性和较低的有效质量,新提出的 SiC 多晶体在微电子领域具有巨大的应用潜力。
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引用次数: 0
Accurate high-temperature profile sensing with dense multipoint arrays of regenerated fiber Bragg gratings 利用再生光纤布拉格光栅密集多点阵列进行精确的高温轮廓传感
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-12 DOI: 10.1016/j.rinp.2024.107970
A spectrally and spatially dense sensor array consisting of 15 regenerated fiber Bragg gratings (RFBGs) over a length of 30 mm is presented for precise and fast multipoint temperature sensing up to 700°C. For the first time, it could be shown that with a dense fiber Bragg grating (FBG)-based sensor array the accuracy requirements of Class 1 thermocouples could be achieved and even exceeded. This also represents the highest spatial density of FBG-based high-temperature multipoint sensing reported so far. The mitigation of broadband losses during the regeneration process was studied, revealing the advantages of the low broadband loss characteristics of the RFBGs, especially when larger numbers of measuring points are required. Low measurement uncertainties were achieved by a new, improved calibration methodology and by an analysis of interferences of an FBG with the side lobes of spectrally neighboring FBGs as well as their suppression by a suitable arrangement of the Bragg wavelengths within the array and corresponding data processing. The capabilities of this multipoint sensor technique were demonstrated by resolving the temperature profile within the calibration volume of a calibration furnace and by resolving the temporal and spatial temperature gradients within the flame of a Bunsen burner. The results are of great importance for fiber-optic sensing of high-temperature profiles in real-world applications.
本文介绍了一种由 15 个长度为 30 毫米的再生光纤布拉格光栅(RFBG)组成的光谱和空间致密传感器阵列,用于精确、快速的多点温度传感,最高温度可达 700°C。这首次表明,使用基于密集光纤布拉格光栅(FBG)的传感器阵列,可以达到甚至超过 1 级热电偶的精度要求。这也是迄今为止报道的基于 FBG 的高温多点传感的最高空间密度。对再生过程中宽带损耗的缓解进行了研究,揭示了 RFBG 低宽带损耗特性的优势,尤其是在需要大量测量点的情况下。通过一种新的、改进的校准方法,以及对 FBG 与光谱相邻 FBG 的边叶干扰的分析,并通过阵列内布拉格波长的适当排列和相应的数据处理来抑制边叶干扰,实现了较低的测量不确定性。通过解析校准炉校准容积内的温度曲线和解析本生灯火焰内的时空温度梯度,证明了这种多点传感器技术的能力。这些结果对于光纤传感实际应用中的高温剖面具有重要意义。
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引用次数: 0
On-chip photoelectric hybrid convolutional accelerator based on Bragg grating array 基于布拉格光栅阵列的片上光电混合卷积加速器
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-11 DOI: 10.1016/j.rinp.2024.107968

We propose an on-chip photoelectric hybrid convolution accelerator based on Bragg grating array. The weight of the convolution kernel can be adjusted by controlling the central wavelengths of the Bragg grating array. We conducted simulation verification of the functionality and scalability of this on-chip photoelectric hybrid convolution accelerator. Subsequently, we constructed a neural network model to conduct handwritten digit classification simulations using this accelerator, achieving a simulation accuracy of 93.99%. Finally, the concept of the proposed on-chip photoelectric hybrid convolution accelerator is successfully verified. Due to the merits of Bragg grating, the proposed scheme paves the way for realizing high-performance on-chip optical neural networks.

我们提出了一种基于布拉格光栅阵列的片上光电混合卷积加速器。卷积核的权重可通过控制布拉格光栅阵列的中心波长来调整。我们对这种片上光电混合卷积加速器的功能和可扩展性进行了仿真验证。随后,我们构建了一个神经网络模型,利用该加速器进行了手写数字分类模拟,模拟准确率达到 93.99%。最后,成功验证了所提出的片上光电混合卷积加速器的概念。由于布拉格光栅的优点,所提出的方案为实现高性能片上光神经网络铺平了道路。
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引用次数: 0
Graphene-based metamaterial ultrawideband absorber with enhanced terahertz performance 具有更强太赫兹性能的石墨烯基超材料超宽带吸收器
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-10 DOI: 10.1016/j.rinp.2024.107965

In this paper, we present a graphene-based metamaterial ultrawideband absorber operating in the terahertz regime. The absorber is composed of two patterned and continuous graphene layers, a bottom gold layer, and a SiO2 substrate that separates the continuous graphene layer from the gold layer. The absorption spectrum is enhanced by integrating a graphene resonator with water, which has frequency-dependent permittivity. The water is encapsulated in polytetrafluoroethylene (PTFE) in the form of a circular ring sandwiched between the two graphene layers. Simulation results show that the absorber attains a 90 % absorption bandwidth of about 14.55 THz. The proposed absorber is polarization-insensitive under normal incidence. For TE polarization, the absorption level remains stable for incident angles θ from 0° to 55° across the entire frequency band (14.55 THz), except for the 5–8 THz range. For TM polarization, the absorption level remains stable for θ ranging from 0° to 60° over the entire bandwidth. Additionally, the absorption level is consistent for both TM and TE polarizations across the entire bandwidth for incident angles φ from 0° to 90°.

本文介绍了一种基于石墨烯的超材料超宽带吸收器,可在太赫兹范围内工作。该吸收器由两个图案化的连续石墨烯层、一个底部金层和一个将连续石墨烯层与金层隔开的二氧化硅基底组成。通过在石墨烯谐振器中加入水(水的介电常数随频率变化),增强了吸收光谱。水被封装在聚四氟乙烯(PTFE)中,呈圆环状夹在两个石墨烯层之间。模拟结果表明,该吸收器的吸收带宽达到 90%,约为 14.55 太赫兹。在正常入射情况下,所提出的吸收器对偏振不敏感。对于 TE 极化,在整个频段(14.55 太赫兹)内,入射角 θ 从 0° 到 55°,吸收水平保持稳定,5-8 太赫兹范围除外。对于 TM 极化,在整个带宽范围内,入射角 θ 从 0° 到 60° 时,吸收水平保持稳定。此外,在入射角 φ 为 0° 至 90° 的整个带宽范围内,TM 和 TE 极化的吸收水平也是一致的。
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引用次数: 0
Kink effect on the lattice properties of one-dimensional carbyne nanocrystals under high temperature 高温下一维卡宾纳米晶体晶格特性的扭结效应
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-08 DOI: 10.1016/j.rinp.2024.107957

Carbyne nanocrystal (CN), as a kind of one-dimensional (1D) sp-hybridized carbon allotrope, has attracted much attention due to its excellent optical and transport properties. However, the lattice properties of 1D CNs under high temperature remain unclear. In our work, we investigate the stability and lattice properties of 1DCNs based on the atomic-bond-relaxation (ABR) approach and first-principles calculations. We find the change of transverse vibration frequencies and bond kinks induced by the thermal effect plays a significant role in the mechanical properties of 1D CNs. We establish a relationship between kink angle and phonon vibration modes, giving a deep inside into high frequency and low-frequency vibration behavior of 1D CNs. Our results indicate the phonon vibration modes modulated by kinks under applied temperatures can lead to a negative thermal expansion behavior in the axial direction of 1D CNs, suggesting an effective way to control the thermal properties of 1D CNs for practical applications.

卡宾纳米晶(CN)作为一种一维(1D)sp-杂化碳同素异形体,因其优异的光学和传输特性而备受关注。然而,一维碳纳米管在高温下的晶格特性仍不清楚。在我们的工作中,我们基于原子邦松弛(ABR)方法和第一原理计算研究了一维氯化萘的稳定性和晶格特性。我们发现热效应引起的横向振动频率和键扭结的变化在一维 CN 的力学性能中起着重要作用。我们建立了扭角与声子振动模式之间的关系,从而深入了解了一维氯化萘的高频和低频振动行为。我们的研究结果表明,在应用温度下,声子振动模式受到扭角的调制,可导致一维氯化萘在轴向的负热膨胀行为,为实际应用中控制一维氯化萘的热性能提供了有效途径。
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引用次数: 0
Design and optimization of broadband near-perfect absorber based on transition metal nitrides thin-films for solar energy harvesting 设计和优化基于过渡金属氮化物薄膜的宽带近完美吸收器,用于太阳能收集
IF 4.4 2区 物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-07 DOI: 10.1016/j.rinp.2024.107950

Broadband metamaterial absorbers hold promise for solar energy harvesting, but their complex designs and use of expensive noble metals hinder scalability and thermal stability. Additionally, traditional design methods are time-consuming. We propose a novel approach that combines a genetic algorithm with the transfer matrix method to optimize both material composition and layer structure for large-scale, cost-effective, and thermally stable solar absorbers. This method enables the design of near-perfect absorbers with an average absorptance exceeding 90 % and over 80 % across a broad wavelength range (0.3–2.5 μm) within the key solar spectrum. By optimizing the arrangement of metal and insulator layers using nitride materials (e.g., vanadium nitride), we achieve superior performance compared to traditional metal–insulator and insulator–metal structures. This optimization utilizes resonant absorption and the inherent absorption of metal layers. Our work paves the way for efficient and scalable solar energy harvesting devices.

宽带超材料吸收器有望用于太阳能收集,但其复杂的设计和昂贵贵金属的使用阻碍了其可扩展性和热稳定性。此外,传统的设计方法非常耗时。我们提出了一种新方法,将遗传算法与转移矩阵法相结合,对材料成分和层结构进行优化,从而设计出大规模、高性价比和热稳定性的太阳能吸收器。这种方法能够设计出近乎完美的吸收器,其平均吸收率超过 90%,在关键太阳光谱的宽波长范围(0.3-2.5 μm)内超过 80%。通过使用氮化物材料(如氮化钒)优化金属层和绝缘体层的排列,我们实现了优于传统金属-绝缘体和绝缘体-金属结构的性能。这种优化利用了共振吸收和金属层的固有吸收。我们的工作为高效、可扩展的太阳能收集设备铺平了道路。
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引用次数: 0
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