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A first principles insight on structural, electronic, optical and mechanical properties of ZrCl4 对 ZrCl4 结构、电子、光学和机械特性的第一原理认识
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-01-27 DOI: 10.1142/s0217979224504332
Geoffrey Tse

In this paper, using density functional theory (DFT), we present a systematic computational investigation on ZrCl4 in respect of electronic, structural, optical, mechanical properties, which is of great interest in semiconductor physics. Our results show that the metal tetrachloride is a mechanically stable semiconductor with a wide indirect bandgap of EgHSE03=4.82eV (EgGGA=3.56eV). ZrCl4 could behave as a brittle material and could be covalent. According to our optical data, a reflectivity of 27.6% could suggest a good material absorption characteristic on the studied material, with a high absorption coefficient of up to 1.61×105cm1. On the partial density of states plot, the hybridization of electron orbitals between Cl 3p5 states in the valence band and transition Zr 4d2 states in the conduction band is also observed. Our findings advance the fundamental understanding of ZrCl4 material and provide important insights in electronic/optoelectronic applications.

本文利用密度泛函理论(DFT),从电子、结构、光学和力学性能等方面对 ZrCl4 进行了系统的计算研究,这在半导体物理学中具有重要意义。我们的研究结果表明,这种四氯化碳金属是一种机械性能稳定的半导体,具有 EgHSE03=4.82eV (EgGGA=3.56eV)的宽间接带隙。ZrCl4 可能是一种脆性材料,也可能是共价材料。根据我们的光学数据,27.6% 的反射率表明所研究材料具有良好的材料吸收特性,吸收系数高达 1.61×105cm-1。在部分状态密度图上,还观察到价带中的 Cl 3p5 态和导带中的过渡 Zr 4d2 态之间的电子轨道杂化。我们的发现推进了对 ZrCl4 材料的基本认识,并为电子/光电应用提供了重要启示。
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引用次数: 0
Hamilton energy modulation and synchronization control for a kind of coupled function neurons 一种耦合功能神经元的汉密尔顿能量调制和同步控制
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-01-27 DOI: 10.1142/s0217979224504320
Lingfeng Jiang, Li Xiong, Xinlei An, Li Zhang

Artificial neural circuits can effectively reproduce the main biophysical properties of neurons when reliable electronic components with unique physical properties are introduced. Connecting memristor to neural circuits not only enhances the potential controllability under external physical stimuli but also recognizes the effects of electromagnetic induction on neural activity. In this paper, the piezoelectric ceramic and memristor are embedded in FitzHugh-Nagumo (FHN) neural circuit, then two kinds of functional neuron models with magnetic field-control and electric field-control are obtained, respectively, to estimate the effects of external sound waves and external electric fields. To investigate the energy consumption when information transfer between neurons, the Hamilton energy functions of the above neuron models are obtained by calculating the field energy of each electronic component, and their correctness is verified by Helmholtz’s theorem. In addition, two neurons can be coupled by an induction coil to equal the processing of chemical coupling and realize pumping energy between neurons. Moreover, an energy switch is added to the coupling channel to open or close the coupling channel by detecting the diversity of energy. That is, it is kept open when the coupled system is exchanging field energy until the energy diversity between neurons is controlled at a limited threshold. The two-parameter bifurcation results show that the above two neurons have different bifurcation modes under different external magnetic or electric fields. For coupled systems, it is found that two identical neurons can achieve complete synchronization (energy balance) or intermittent complete synchronization (intermittent energy balance) by adaptive coupling. However, two diverse neurons can only achieve phase lock or phase synchronization, since the diversity of the coupled system parameters can disrupt the achievement of complete synchronization. These results are helpful for designing intelligent neural networks by taming the coupling channels with gradient energy distribution.

如果引入具有独特物理特性的可靠电子元件,人工神经网络就能有效地再现神经元的主要生物物理特性。将忆阻器连接到神经回路中,不仅能增强外部物理刺激下的潜在可控性,还能识别电磁感应对神经活动的影响。本文将压电陶瓷和忆阻器嵌入 FitzHugh-Nagumo(FHN)神经回路,分别得到了磁场控制和电场控制两种功能神经元模型,以估计外部声波和外部电场的影响。为了研究神经元之间信息传递时的能量消耗,通过计算各电子元件的场能,得到了上述神经元模型的汉密尔顿能函数,并通过亥姆霍兹定理验证了其正确性。此外,两个神经元可以通过感应线圈耦合,从而等同于化学耦合处理,实现神经元之间的能量泵送。此外,耦合通道上还增加了一个能量开关,通过检测能量的多样性来打开或关闭耦合通道。也就是说,当耦合系统进行场能交换时,它将保持打开状态,直到神经元之间的能量多样性被控制在一个有限的阈值。双参数分岔结果表明,上述两种神经元在不同的外部磁场或电场下具有不同的分岔模式。对于耦合系统,研究发现两个相同的神经元可以通过自适应耦合实现完全同步(能量平衡)或间歇完全同步(间歇能量平衡)。然而,两个不同的神经元只能实现锁相或相位同步,因为耦合系统参数的多样性会破坏完全同步的实现。这些结果有助于通过驯服梯度能量分布的耦合通道来设计智能神经网络。
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引用次数: 0
Unsteady non-Newtonian fluid flow past an oscillating vertical plate with temperature-dependent viscosity: A numerical study 非牛顿非稳态流体流过具有温度相关粘度的摆动垂直板:数值研究
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-01-27 DOI: 10.1142/s0217979224504319
T. Salahuddin, Muhammad Awais, Shah Muhammad

The analysis of non-Newtonian fluid flow over an oscillating surface often involves numerical simulations and experimental investigations. Computational fluid dynamics method including finite difference or finite element techniques can be used to crack the governing equations of the fluid flow. In this work, we used the Crank–Nicolson numerical technique to analyze the numerical behavior of unsteady boundary layer flow of Casson fluid with natural convection past an oscillating vertical plate. The temperature-dependent viscosity is assumed for the flow analysis. The impact of chemical reaction and heat generation coefficient is used to examine the mass and heat transferal rates. The investigation of non-Newtonian fluid flow over an oscillating surface is crucial for a wide range of industrial, biomedical, and scientific applications. The governing model of equations occurs in the form of nondimensional PDEs and then we use the dimensionless variables in order to achieve the dimensional PDEs. These equations are numerically solved by using the Crank–Nicolson technique. The Crank–Nicolson scheme is used because it has the ability to provide accurate and stable solutions and make it a valuable numerical technique in various scientific and engineering disciplines. The findings indicate the significance of numerous parameters on the mass, velocity and energy regions. The numerical outcomes of skin friction are observed due to fluid parameter, viscosity parameter, Grashof numbers of heat and solutal rates.

振荡面上的非牛顿流体流动分析通常涉及数值模拟和实验研究。包括有限差分或有限元技术在内的计算流体力学方法可用于破解流体流动的控制方程。在这项工作中,我们使用 Crank-Nicolson 数值技术分析了带有自然对流的卡松流体经过振荡垂直板的非稳态边界层流动的数值行为。流动分析假定粘度与温度有关。利用化学反应和发热系数的影响来研究质量和热量传递率。研究摆动表面上的非牛顿流体流动对于广泛的工业、生物医学和科学应用至关重要。治理方程模型以非线性多项式方程的形式出现,然后我们使用无量纲变量来实现多项式方程。这些方程采用 Crank-Nicolson 技术进行数值求解。之所以使用 Crank-Nicolson 方案,是因为它能够提供精确、稳定的解,并使其成为各种科学和工程学科中的重要数值技术。研究结果表明了许多参数对质量、速度和能量区域的影响。流体参数、粘度参数、热和溶解速率的格拉肖夫数都会导致表皮摩擦的数值结果。
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引用次数: 0
The role of initial system–environment correlations with a spin environment 自旋环境下初始系统环境相关性的作用
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-01-25 DOI: 10.1142/s0217979224504290
Ali Raza Mirza, Mah Noor Jamil, Adam Zaman Chaudhry

Open quantum systems are a subject of immense interest as their understanding is crucial in the implementation of modern quantum technologies. In the study of their dynamics, the role of the initial system–environment correlations is commonly ignored. In this work, to gain insights into the role of these correlations, we solve an exactly solvable model of a single two-level system interacting with a spin environment, with the initial system state prepared by a suitable unitary operation. By solving the dynamics exactly for arbitrary system–environment coupling strength while taking into account the initial system–environment correlations, we show that the effect of the initial correlations is, in general, very significant and nontrivial. To further highlight the importance of the initial system–environment correlations, we also extend our study to investigate the dynamics of the entanglement between two two-level systems interacting with a common spin environment.

开放量子系统是一个备受关注的课题,因为了解这些系统对于实现现代量子技术至关重要。在其动力学研究中,初始系统-环境相关性的作用通常被忽视。在这项工作中,为了深入了解这些相关性的作用,我们求解了一个与自旋环境相互作用的单个两级系统的精确可解模型,其初始系统状态是由合适的单元操作准备的。通过精确求解任意系统-环境耦合强度下的动力学,同时考虑到初始系统-环境相关性,我们发现初始相关性的影响通常非常显著,而且并非微不足道。为了进一步强调初始系统-环境相关性的重要性,我们还将研究扩展到了与共同自旋环境相互作用的两个两级系统之间的纠缠动力学。
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引用次数: 0
Synthesis and photoluminescence properties of novel BASI4O6N2:EU2+ phosphor 新型 BASI4O6N2:EU2+ 荧光粉的合成与光致发光特性
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-01-08 DOI: 10.1142/s0217979224400150
Kohei Fukumura, Koki Shibai, Sayaka Hattori, Kei-Ichiro Murai, Toshihiro Moriga

Using Eu2O3, BaCO3, Si3N4 and SiO2 as starting materials, we succeeded in synthesizing BaSi4O6N2:Eu2+ by firing the mixture at 1100C for 2h in a reducing atmosphere (N2(95%)–H2(5%)). As a result, a single phase was obtained by setting the charge composition ratio to Si/Ba=6. When the Eu2+ activation amount was 1%, it showed a broad emission in the range of 400–600nm under the excitation light of ultraviolet rays at 320nm. This phosphor exhibited chromaticity coordinates of (x,y)=(0.258,0.297) under irradiation with ultraviolet rays at 320nm and is thought to be a promising phosphor for ultraviolet-excited white LEDs.

我们以 Eu2O3、BaCO3、Si3N4 和 SiO2 为起始材料,在还原气氛(N2(95%)-H2(5%))中将混合物在 1100∘C 下焙烧 2 小时,成功合成了 BaSi4O6N2:Eu2+。结果,将电荷成分比设定为 Si/Ba=6 时,得到了单相。当 Eu2+ 的活化量为 1%时,在 320nm 紫外线的激发光下,该荧光粉在 400-600nm 范围内显示出宽广的发射。这种荧光粉在 320nm 紫外线照射下显示出 (x,y)=(0.258,0.297) 的色度坐标,被认为是一种很有前途的紫外线激发白光 LED 荧光粉。
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引用次数: 0
Effects of complete slip conditions on the peristaltic pumping of a Casson nanofluid with suction and injection in a vertical channel 完全滑移条件对在垂直通道中吸入和注入卡松纳米流体的蠕动泵送的影响
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2023-12-12 DOI: 10.1142/s0217979224400071
P. Vijayakumar, R. H. Reddy
This study investigates the effects of complete slip conditions on the peristaltic pumping of a Casson nanofluid with suction and injection in a vertical due to the crucial role that nano liquids play in a variety of technological and medical fields, particularly in peristalsis, a mechanism that transports liquids. The Casson fluid belongs to a class of non-Newtonian fluids that, through a particular stress threshold magnitude, exhibit elastic solid behavior before changing to liquid behavior. These fluids have several uses in engineering, food preparation, drilling and other fields. After establishing the governing conservation equations, the resulting flow model is effectively simulated using the realistic assumptions of a long wavelength and a low Reynolds number. The temperature distributions, velocity, pressure rate per wavelength and nanoparticle concentration of the resulting flow problem have been solved analytically. The effects of all physical factors on temperature, velocity, concentration fields, pressure rate, frictional force and pressure gradient are graphically examined using Wolfram MATHEMATICA software. There are a variety of biofluids that cannot be classified as liquids. For example, blood contains WBC, RBC and plasma. It is essential to model biofluids (blood) as nanofluids given the physical properties of these biofluids. According to reports, one of the finest yield stress models is the Casson model, and blood exhibits a similar behavior. We took these facts into consideration when thinking about Casson nanofluid flow in a vertical layer under peristalsis. Additionally, the suction and injection mechanisms can be used to represent the exchange of carbon dioxide in bold. In order to understand how blood flows through small blood vessels, this model must be examined. The obtained results show that the Newtonian case and those found in the literature have a very good agreement. Since the liquid moves faster and more effectively when the value is increased, it becomes clear that this increases the strength of the velocity.  In other words, nanoperistaltic pumps can maintain a pressure differential that increases or decreases at all operating flow rates with an increasing thermophoresis effect. Furthermore, it is obvious that the pressure reduction in a Casson fluid is greater than in a Newtonian fluid.
本研究探讨了完全滑移条件对垂直吸入和注入卡松纳米流体蠕动泵送的影响,因为纳米液体在各种技术和医学领域,特别是在蠕动这一液体运输机制中发挥着至关重要的作用。卡松流体属于一类非牛顿流体,在通过特定的应力阈值大小时,先表现出弹性固体行为,然后再转变为液体行为。这类流体在工程、食品制备、钻探和其他领域有多种用途。在建立了控制守恒方程后,利用长波长和低雷诺数的现实假设,对所产生的流动模型进行了有效模拟。由此产生的流动问题的温度分布、速度、单位波长的压力率和纳米粒子浓度均已通过解析求解。所有物理因素对温度、速度、浓度场、压力率、摩擦力和压力梯度的影响都用 Wolfram MATHEMATICA 软件进行了图形分析。有多种生物流体不能归类为液体。例如,血液中含有白细胞、红细胞和血浆。鉴于这些生物流体的物理特性,将生物流体(血液)作为纳米流体建模至关重要。据报道,卡森模型是最优秀的屈服应力模型之一,血液也表现出类似的行为。在考虑蠕动条件下垂直层中的卡松纳米流体流动时,我们考虑了这些事实。此外,吸入和注入机制也可用于表示二氧化碳在胆汁中的交换。为了了解血液如何在小血管中流动,必须对该模型进行研究。所得结果表明,牛顿情况与文献中的结果非常吻合。由于当数值增大时,液体移动得更快更有效,因此很明显,这增加了速度的强度。 换句话说,纳米蠕动泵在所有工作流速下都能保持压差增大或减小,热泳效应不断增强。此外,卡松流体中的压力降低幅度显然大于牛顿流体。
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引用次数: 0
Solitons, multi-solitons and multi-periodic solutions of the generalized Lax equation by Darboux transformation and its quasiperiodic motions 达尔布克斯变换的广义拉克斯方程的孤子、多孤子和多周期解及其准周期运动
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2023-12-12 DOI: 10.1142/s0217979224400010
Nanda Kanan Pal, Prasanta Chatterjee, A. Saha
Using the Darboux transformation method, the general Lax equation is solved and a collection of new exact solutions together with one-soliton solutions, singular one-soliton solutions, periodic solutions, singular periodic solution, two-soliton solutions, singular two-soliton solutions, two-periodic solutions and singular two-periodic solutions is obtained. Using traveling wave transformation, the Lax equation is transfigured to a conservative dynamical system (CDS) of dimension four with three equilibrium points involving two parameters [Formula: see text] and v. The CDS has various quasi-periodic motions for fixed values of the parameters [Formula: see text] and v at different initial conditions. Furthermore, effects of the parameters [Formula: see text] and v are shown on the quasiperiodic motions of the CDS by means of phase sections and time series plots. This approach can be applied to a heterogeneity of nonlinear model equations or partial differential equations for describing their inherent nonlinear phenomena.
利用达尔布变换方法求解了一般拉克斯方程,并得到了一系列新的精确解,包括单孑子解、奇异单孑子解、周期解、奇异周期解、双孑子解、奇异双孑子解、双周期解和奇异双周期解。利用行波变换,拉克斯方程被转换为一个四维保守动力系统(CDS),该系统有三个平衡点,涉及两个参数[公式:见正文]和 v。在不同的初始条件下,当参数[公式:见正文]和 v 的值固定时,CDS 有各种准周期运动。此外,还通过相位剖面图和时间序列图显示了参数[公式:见正文]和 v 对 CDS 准周期运动的影响。这种方法可应用于各种非线性模型方程或偏微分方程,以描述其内在的非线性现象。
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引用次数: 0
Development of multi-directional piezoelectric sensor doped with graphene by near-field electrospinning technology for calligraphy writing 利用近场电纺丝技术开发掺杂石墨烯的多向压电传感器,用于书法书写
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2023-12-12 DOI: 10.1142/s0217979224400095
Huann-Ming Chou, Hui-Chun Yang
A novel multi-directional (MD) circular-shaped fiber piezoelectric sensor was developed to detect calligraphy writing force from various directions quantitatively. The sensor was fabricated using polyvinylidene fluoride (PVDF) piezoelectric fibers doped with Graphene and spun using direct-write near-field electrospinning (NFES) technology. The NFES collector, designed as a rotating disc system, orderly collected the fibers to enhance the piezoelectric effect and dipole moments, forming the circular sensor. Flexible electrical electrodes with multiple signal output circuits were incorporated for calligraphy stroke sensing, bonded with circular PVDF fibers to create the flexible MD sensor. With inner and outer diameters of 20[Formula: see text]mm and 60[Formula: see text]mm, the circular sensor responded to deformable signals induced by calligraphy strokes. Parameters of sensor fabrication were optimized using the uniform design experimental method. Calibration involved tapping tests at 1–10[Formula: see text]Hz to correlate fiber output voltage with the corresponding force. The single sensor reached a maximum voltage output of approximately 908[Formula: see text]mV and detected forces ranging from 0.1 to 50[Formula: see text]N. After validating the MD circular-shaped piezoelectric sensor, a [Formula: see text] sensor array was configured for calligraphy writing force sensing, providing quantitative measurements of dynamic responses during writing, valuable as a data source for apprentice learning.
本研究开发了一种新型多方向(MD)环形纤维压电传感器,用于定量检测来自不同方向的书法书写力。该传感器采用掺杂石墨烯的聚偏二氟乙烯(PVDF)压电纤维,利用直写近场电纺(NFES)技术纺制而成。设计为旋转圆盘系统的 NFES 收集器有序地收集纤维,以增强压电效应和偶极矩,从而形成圆形传感器。用于书法笔画感应的柔性电极带有多个信号输出电路,与圆形 PVDF 纤维粘合在一起,形成柔性 MD 传感器。圆形传感器的内径和外径分别为 20[式中:见正文]毫米和 60[式中:见正文]毫米,能对书法笔画引起的可变形信号做出响应。采用统一设计实验法对传感器的制造参数进行了优化。校准包括 1-10[公式:见正文]赫兹的敲击测试,以便将纤维输出电压与相应的力相关联。单个传感器的最大电压输出约为 908[式中:见正文]mV,可检测到 0.1 至 50[式中:见正文]N 的力。在对 MD 圆形压电传感器进行验证后,[公式:见正文] 传感器阵列被配置用于书法书写力感应,对书写过程中的动态响应进行定量测量,为学徒学习提供了宝贵的数据源。
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引用次数: 0
Numerical simulation of biomagnetic pulsatile flow through a channel 生物磁脉冲流通过通道的数值模拟
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2023-12-12 DOI: 10.1142/s0217979224504101
Ranjith Maniyeri
The study of biological fluids in the presence of a magnetic field is known as biomagnetic fluid dynamics (BFD). The research work in BFD has been rapidly growing due to its applications in developing magnetic devices used for cell separation, targeted drug delivery and cancer tumor treatment. This study aims to examine the biomagnetic fluid flow with pulsatile conditions through a channel when subjected to a magnetic field that varies in space. The nondimensional continuity and momentum equations are solved with the effect of the magnetic field added as a body force. A two-dimensional computational model is developed using the finite volume method and is implemented on a staggered grid system with the help of the semi-implicit fractional step method. The code is written using MATLAB. Numerical simulations are performed by varying the Magnetic, Reynolds and Womersley numbers. Pulsatile flow results indicate the periodic growth and decay of vortices near the source of the magnetic field. With an increase in the magnetic number from 100 to 150, 250 and 500, the maximum vorticity increases by 48.04%, 149.84% and 402.68%. A similar relation is found when varying the Reynolds number, while almost no change is found when varying the Womersley number.
对存在磁场的生物流体的研究被称为生物磁流体动力学(BFD)。由于生物磁流体动力学在开发用于细胞分离、靶向给药和癌症肿瘤治疗的磁性设备方面的应用,其研究工作一直在快速增长。本研究旨在探讨在空间变化的磁场作用下,生物磁性流体在脉动条件下流经通道的情况。在求解非一维连续性方程和动量方程时,加入了磁场作为体力的影响。利用有限体积法开发了一个二维计算模型,并借助半隐式分数步法在交错网格系统上实现了该模型。代码使用 MATLAB 编写。通过改变磁力、雷诺数和沃姆斯利数进行了数值模拟。脉动流结果表明,磁场源附近的涡旋呈周期性增长和衰减。随着磁力数从 100 增加到 150、250 和 500,最大涡度分别增加了 48.04%、149.84% 和 402.68%。在改变雷诺数时也发现了类似的关系,而在改变沃姆斯利数时几乎没有变化。
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引用次数: 0
A thermally reconfigurable metamaterial with switchable wideband absorption and sensing at THz band based on VO2 thin film 基于 VO2 薄膜的太赫兹波段可切换宽带吸收和传感的热可重构超材料
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2023-12-12 DOI: 10.1142/s0217979224504228
Liansheng Wang, D. Xia, Quanhong Fu, Yuanxu Wang, Xueyong Ding
The VO2 thin film has the advantage of thermally controlled insulator-metal phase transition. Based on this, we presented a thermally reconfigurable metamaterial with switchable wideband absorption and sensing at THz band in this paper. At low temperature ([Formula: see text][Formula: see text]S/m), the metamaterial can realize nearly perfect absorption at the range of 6.88–9[Formula: see text]THz. When the temperature rises to a certain extent ([Formula: see text][Formula: see text]S/m), an absorption peak which can be used to sensing appears at 4.08[Formula: see text]THz with the permittivity sensitivity of 0.5[Formula: see text]THz/PU. The metamaterial has the advantages of simple structure and switchable wideband absorption/sensing functions with potential application value on terahertz stealth, detection, sensing, and so on.
VO2 薄膜具有热控绝缘体-金属相变的优势。在此基础上,我们在本文中提出了一种在太赫兹波段具有可切换宽带吸收和传感功能的热可重构超材料。在低温下([式中:见正文][式中:见正文]S/m),该超材料可以在 6.88-9[式中:见正文]太赫兹范围内实现近乎完美的吸收。当温度上升到一定程度([式:见正文][式:见正文]S/m)时,可用于传感的吸收峰值出现在 4.08[式:见正文]太赫兹,介电常数灵敏度为 0.5[式:见正文]太赫兹/PU。该超材料具有结构简单、可切换宽带吸收/传感功能等优点,在太赫兹隐身、探测、传感等方面具有潜在的应用价值。
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引用次数: 0
期刊
International Journal of Modern Physics B
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