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Sublattice imbalance of states in graphene nanoflakes 石墨烯纳米片中亚晶格状态的不平衡
Q3 Physics and Astronomy Pub Date : 2023-09-01 DOI: 10.1088/2399-6528/ad0022
H Yorikawa
Abstract The energy states of π -electrons in a graphene nanoflake obtained from graphene, a well-known bipartite lattice or honeycomb lattice of carbon atoms, are studied using the tight-binding method. It is reported that the sublattice imbalance Δ N of the entire graphene nanoflake including vacancy clusters, which characterizes the electronic states, consists of those of the outer and inner edges. In nonzero-energy states, the electrons are evenly distributed between the sublattices A and B, regardless of the value of Δ N . In contrast, zero-energy states are ∣Δ N ∣-fold degenerate states where the electrons are unevenly distributed on either sublattice A or sublattice B. Occasionally, large or specific graphene nanoflakes have substantial zero-energy states, which are mixed states of the nonzero-energy states and zero-energy states.
摘要利用紧密结合方法研究了石墨烯纳米片中π电子的能态。石墨烯是碳原子的二部晶格或蜂窝晶格。据报道,包含空位团簇的整个石墨烯纳米片的亚晶格不平衡Δ N由外边缘和内边缘的亚晶格不平衡组成,这是表征电子态的特征。在非零能态中,电子均匀地分布在亚晶格A和B之间,与Δ N的值无关。相比之下,零能态是∣Δ N∣折叠简并态,其中电子不均匀地分布在亚晶格A或亚晶格b上。偶尔,大型或特定的石墨烯纳米片具有大量的零能态,它们是非零能态和零能态的混合态。
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引用次数: 0
Neoclassical models of charged particles 带电粒子的新古典模型
IF 1.2 Q3 Physics and Astronomy Pub Date : 2023-08-11 DOI: 10.1088/2399-6528/acefa6
F. De Zela
Classical electrodynamics (CED) has achieved great success in its domain of application, but despite this success, it has remained a theory that lacks complete self-consistency. It is worthwhile trying to make CED a self-consistent theory, because many important phenomena lie within its scope, and because modern field theories have been modelled on it. Alternative approaches to CED might help finding a definite formulation, and they might also lead to the prediction of new phenomena. Here we report two main results. The first one derives from standard CED. It is shown that the motion of a charged particle is ruled not only by the Lorentz equation, but also by equations that are formally identical to Maxwell equations. The latter hold for a velocity field and follow as a strict logical consequence of Hamilton’s action principle for a single particle. We construct a tensor with the velocity field in the same way as the electromagnetic tensor is constructed with the four potential. The two tensors are shown to be proportional to one another. As a consequence, and without leaving the realm of standard CED, one can envision new phenomena for a charged particle, which parallel those involving electromagnetic fields. The second result refers to a field-free approach to CED. This approach confirms the simultaneous validity of Maxwell-like and Lorentz equations as rulers of charged particle motion.
经典电动力学(CED)在其应用领域取得了巨大的成功,但尽管如此,它仍然是一个缺乏完全自洽性的理论。使其成为一个自洽理论是值得尝试的,因为许多重要的现象都在它的范围之内,而且现代场论都是以它为模型的。对CED的替代方法可能有助于找到一个明确的公式,它们也可能导致对新现象的预测。这里我们报告两个主要结果。第一个来源于标准CED。结果表明,带电粒子的运动不仅由洛伦兹方程决定,而且也由形式上与麦克斯韦方程相同的方程决定。后者适用于速度场,并遵循汉密尔顿作用原理对单个粒子的严格逻辑推论。我们用速度场构造一个张量就像用四势构造电磁张量一样。这两个张量是成比例的。因此,在不离开标准CED领域的情况下,人们可以设想带电粒子的新现象,这些现象与涉及电磁场的现象相似。第二个结果指的是一种无字段的CED方法。这种方法证实了麦克斯韦方程和洛伦兹方程同时作为带电粒子运动的标尺的有效性。
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引用次数: 0
On the comparison of diversity of parts of a distribution 关于分布各部分多样性的比较
IF 1.2 Q3 Physics and Astronomy Pub Date : 2023-07-20 DOI: 10.1088/2399-6528/ace952
R. Rajaram, N. Ritchey, B. Castellani
The literature on diversity measures, regardless of the metric used (e.g., Gini-Simpson index, Shannon entropy) has a notable gap: not much has been done to connect these measures back to the shape of the original distribution, or to use them to compare the diversity of parts of a given distribution and their relationship to the diversity of the whole distribution. As such, the precise quantification of the relationship between the probability of each type p i and the diversity D in non-uniform distributions, both among parts of a distribution as well as the whole, remains unresolved. This is particularly true for Hill numbers, despite their usefulness as ‘effective numbers’. This gap is problematic as most real-world systems (e.g., income distributions, economic complexity indices, rankings, ecological systems) have unequal distributions, varying frequencies, and comprise multiple diversity types with unknown frequencies that can change. To address this issue, we connect case-based entropy, an approach to diversity we developed, to the shape of a probability distribution; allowing us to show that the original probability distribution g 1, the case-based entropy curve g 2 and the c {1,k} versus the c{1,k}*lnA{1,k} curve g 3, which we call the slope of diversity, are one-to-one (or injective), i.e., a different probability distribution g 1 gives a different curve for g 2 and g 3. Hence, a different permutation of the original probability distribution g 1(that leads to a different shape) will uniquely determine the graphs g 2 and g 3. By proving the injective nature of our approach, we will have established a unique way to measure the degree of uniformity of parts as measured by D P /c P for a given part P of the original probability distribution, and also have shown a unique way to compute the D P /c P for various shapes of the original distribution and (in terms of comparison) for different curves.
关于多样性度量的文献,无论使用何种度量(例如,Gini Simpson指数、Shannon熵),都有一个显著的差距:没有做太多工作将这些度量与原始分布的形状联系起来,也没有用它们来比较给定分布部分的多样性及其与整个分布多样性的关系。因此,在非均匀分布中,每种类型的概率pi和多样性D之间的关系的精确量化,在分布的部分之间以及在整个分布之间,仍然没有解决。Hill数尤其如此,尽管它们作为“有效数”很有用。这种差距是有问题的,因为大多数现实世界的系统(例如,收入分配、经济复杂性指数、排名、生态系统)具有不平等的分布、不同的频率,并且包括具有未知频率的多种多样性类型,这些频率可能会发生变化。为了解决这个问题,我们将基于案例的熵(我们开发的一种多样性方法)与概率分布的形状联系起来;允许我们证明原始概率分布g1、基于事例的熵曲线g2和c{1,k}与c{1、k}*lnA{1,k}曲线g3(我们称之为多样性斜率)是一对一的(或内射的),即,不同的概率分布g1为g2和g3给出不同的曲线。因此,原始概率分布g1的不同排列(导致不同形状)将唯一地确定图g2和g3。通过证明我们的方法的内射性质,我们将建立一种独特的方法来测量由原始概率分布的给定部分P的D P/c P测量的部分的均匀度,并且还展示了一种计算原始分布的各种形状和(在比较方面)不同曲线的D P/c P的独特方法。
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引用次数: 0
Dynamic & norm-based weights to normalize imbalance in back-propagated gradients of physics-informed neural networks 基于动态和范数的权重来归一化物理信息神经网络反向传播梯度中的不平衡
IF 1.2 Q3 Physics and Astronomy Pub Date : 2023-07-04 DOI: 10.1088/2399-6528/ace416
S. Deguchi, M. Asai
Physics-Informed Neural Networks (PINNs) have been a promising machine learning model for evaluating various physical problems. Despite their success in solving many types of partial differential equations (PDEs), some problems have been found to be difficult to learn, implying that the baseline PINNs is biased towards learning the governing PDEs while relatively neglecting given initial or boundary conditions. In this work, we propose Dynamically Normalized Physics-Informed Neural Networks (DN-PINNs), a method to train PINNs while evenly distributing multiple back-propagated gradient components. DN-PINNs determine the relative weights assigned to initial or boundary condition losses based on gradient norms, and the weights are updated dynamically during training. Through several numerical experiments, we demonstrate that DN-PINNs effectively avoids the imbalance in multiple gradients and improves the inference accuracy while keeping the additional computational cost within a reasonable range. Furthermore, we compare DN-PINNs with other PINNs variants and empirically show that DN-PINNs is competitive with or outperforms them. In addition, since DN-PINN uses exponential decay to update the relative weight, the weights obtained are biased toward the initial values. We study this initialization bias and show that a simple bias correction technique can alleviate this problem.
物理知情神经网络(PINN)是一种很有前途的机器学习模型,用于评估各种物理问题。尽管它们在求解许多类型的偏微分方程(PDE)方面取得了成功,但已经发现一些问题很难学习,这意味着基线PINN偏向于学习控制偏微分方程,而相对忽略给定的初始或边界条件。在这项工作中,我们提出了动态归一化物理知情神经网络(DN-PINN),这是一种在均匀分布多个反向传播梯度分量的情况下训练PINN的方法。DN PINN基于梯度范数确定分配给初始或边界条件损失的相对权重,并且在训练期间动态更新权重。通过几个数值实验,我们证明了DN-PINN有效地避免了多个梯度中的不平衡,提高了推理精度,同时将额外的计算成本保持在合理的范围内。此外,我们将DN PINN与其他PINN变体进行了比较,并从经验上表明DN PINN具有竞争力或优于它们。此外,由于DN-PINN使用指数衰减来更新相对权重,因此获得的权重偏向初始值。我们研究了这种初始化偏差,并表明一种简单的偏差校正技术可以缓解这个问题。
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引用次数: 0
Current-density functional theory for bosonic superfluids 玻色子超流体的电流密度泛函理论
IF 1.2 Q3 Physics and Astronomy Pub Date : 2023-07-01 DOI: 10.1088/2399-6528/ace236
Tomoya Aizawa, M. Higuchi, K. Higuchi
A finite-temperature current-density functional theory for bosonic superfluids (sf-CDFT) in the thermal equilibrium state is proposed herein. In the sf-CDFT, hydrodynamic physical quantities, such as particle number density, current density, and the order parameter of the Bose–Einstein condensation, are chosen as the basic variables. This theory enables the simultaneous reproduction of the particle number and current densities of both the superfluid and normal fluid components with incorporating effects of the interaction between these components. Specifically, these components are determined by solving two single-particle equations, i.e., the Gross–Pitaevskii–Kohn–Sham and Kohn–Sham equations. Furthermore, using the continuity equation of superfluids, we present the sum rule for the exchange-correlation energy functional of the sf-CDFT, which is useful for developing the approximate form.
本文提出了玻色子超流体在热平衡状态下的有限温度电流密度泛函理论。在sf CDFT中,流体动力学物理量,如粒子数密度、电流密度和玻色-爱因斯坦凝聚的阶参数,被选为基本变量。该理论能够同时再现超流体和正常流体组分的粒子数和电流密度,并结合这些组分之间的相互作用的影响。具体而言,这些分量是通过求解两个单粒子方程来确定的,即Gross–Pitaevskii–Kohn–Sham和Kohn–Sham方程。此外,利用超流体的连续性方程,我们给出了sf-CDFT交换相关能函数的和规则,这对发展近似形式是有用的。
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引用次数: 0
A generalized scattering theory in quantum mechanics 量子力学中的广义散射理论
IF 1.2 Q3 Physics and Astronomy Pub Date : 2023-07-01 DOI: 10.1088/2399-6528/acde44
Huai-Yu Wang
In quantum mechanics textbooks, a single-particle scattering theory is introduced. In the present work, a generalized scattering theory is presented, which can be in principle applied to the scattering problems of arbitrary number of particle. In laboratory frame, a generalized Lippmann-Schwinger scattering equation is derived. We emphasized that the derivation is rigorous, even for treating infinitesimals. No manual operation such as analytical continuation is allowed. In the case that before scattering N particles are plane waves and after the scattering they are new plane waves, the transition amplitude and transition probability are given and the generalized S matrix is presented. It is proved that the transition probability from a set of plane waves to a new set of plane waves of the N particles equal to that of the reciprocal process. The generalized theory is applied to the cases of one- and two-particle scattering as two examples. When applied to single-particle scattering problems, our generalized formalism degrades to that usually seen in the literature. When our generalized theory is applied to two-particle scattering problems, the formula of the transition probability of two-particle collision is given. It is shown that the transition probability of the scattering of two free particles is identical to that of the reciprocal process. This transition probability and the identity are needed in deriving Boltzmann transport equation in statistical mechanics. The case of identical particles is also discussed.
在量子力学教科书中,介绍了单粒子散射理论。本文提出了广义散射理论,该理论原则上可以应用于任意数目粒子的散射问题。在实验室框架下,导出了广义Lippmann-Schwinger散射方程。我们强调推导是严格的,即使对于处理无穷小。不允许进行分析延拓等人工操作。在散射前N个粒子为平面波,散射后N个粒子为新平面波的情况下,给出了粒子的跃迁幅度和跃迁概率,并给出了广义S矩阵。证明了N个粒子从一组平面波到另一组平面波的跃迁概率等于互反过程的跃迁概率。将广义理论应用于单粒子散射和双粒子散射两个例子。当应用于单粒子散射问题时,我们的广义形式退化为通常在文献中看到的形式。将广义理论应用于两粒子散射问题时,给出了两粒子碰撞跃迁概率的计算公式。结果表明,两个自由粒子散射的跃迁概率与互反过程的跃迁概率相同。统计力学中玻尔兹曼输运方程的推导需要这种跃迁概率和恒等式。我们还讨论了相同粒子的情况。
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引用次数: 0
Retraction notice – ‘Entropy optimization in MHD nanofluid flow over a curved exponentially stretching surface with binary chemical reaction and Arrhenius activation energy’ Saeed Islam et al 2020 J. Phys. Commun. 4 075021 撤回通知-“具有二元化学反应和阿伦尼乌斯活化能的MHD纳米流体在弯曲指数拉伸表面上流动的熵优化”Saeed Islam et al . 2020 J. physics。4 075021
IF 1.2 Q3 Physics and Astronomy Pub Date : 2023-06-01 DOI: 10.1088/2399-6528/accdcc
S. Islam
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引用次数: 0
Non-reciprocal transmission of coupled LC resonators through parity-time symmetry breaking 偶偶时间对称性破缺耦合LC谐振腔的非互易传输
IF 1.2 Q3 Physics and Astronomy Pub Date : 2023-06-01 DOI: 10.1088/2399-6528/acdbbb
Yi Zhou, Hao Wang, Lifeng Wang, Lei Dong, Qing-An Huang
Non-reciprocal devices that allow a signal to be transmitted only in one direction are important for full-duplex communications. Due to the requirements of miniaturized systems, there has been an increase interest in non-magnetic non-reciprocal devices in recent years. Based on parity-time (PT) symmetric inductors-capacitors (LC) resonators, this paper has proposed non-reciprocal transmission configurations by PT-symmetry breaking. In the configuration, the coupled capacitance between the two coupled LC resonators can be adjusted so that the transmission frequency is tunable. At the same time, the resonant frequency and transmission frequency have been discriminated to optimize the non-reciprocal transmission. The configuration has been implemented by utilizing discrete components on a printed circuit board (PCB). It demonstrates that the center operation frequency of 14.05 MHz with the bandwidth 4 MHz, the insertion loss 0.32 dB, and the isolation 11 dB is adjusted to the center operation frequency of 14.95 MHz with the bandwidth 4.6 MHz, the insertion loss 0.716 dB, and the isolation 14.5 dB.
允许信号仅在一个方向上传输的非互易设备对于全双工通信是重要的。由于小型化系统的要求,近年来人们对非磁性非互易器件越来越感兴趣。基于奇偶时间(PT)对称电感器-电容器(LC)谐振器,提出了PT对称破缺的非互易传输配置。在该配置中,可以调节两个耦合LC谐振器之间的耦合电容,使得传输频率是可调谐的。同时,对谐振频率和传输频率进行了区分,以优化非互易传输。该配置是通过利用印刷电路板(PCB)上的分立元件来实现的。结果表明,将带宽为4MHz、插入损耗为0.32dB、隔离度为11dB的中心工作频率14.05MHz调整为带宽为4.6MHz、插入损耗0.716dB、隔离性为14.5dB的中心操作频率14.95MHz。
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引用次数: 0
Bending of electric field lines and light-ray trajectories in a static gravitational field 静电引力场中电场线和光线轨迹的弯曲
IF 1.2 Q3 Physics and Astronomy Pub Date : 2023-06-01 DOI: 10.1088/2399-6528/acdc83
A. Singal
It is well known that the light-ray trajectories follow a curved path in a gravitational field. This has been confirmed observationally where light rays coming from distant astronomical objects are seen to get bent in Sun’s gravitational field. We explore here the bending of electric field lines due to gravity. We determine, from a theoretical perspective, not only the exact shapes of the bent trajectories of light rays, emitted isotropically by a source supported in a gravitational field, but also demonstrate that the electric field lines of a charge, supported in a gravitational field, follow exactly the trajectories of light rays emitted isotropically from a source at the charge location. From a detailed examination of the electrostatic field of a charge accelerated uniformly in the instantaneous rest frame, exploiting the strong principle of equivalence, we determine the bending of the electric field lines of a charge in a gravitational field. The fraction of electric field lines crossing a surface, stationary above or below the charge in the gravitational field, are shown to be exactly similar to the fraction of light-ray trajectories intersecting that surface, emanating from a source lying at the charge location. On the other hand, for a freely falling charge in the gravitational field there is no such bending of electric field lines. The field lines continue to extend in radial straight lines from the instantaneous ‘present’ position of the charge, as do the trajectories of light rays spreading away from the instantaneous position of a freely falling source in the gravitational field. The electric field configuration of a freely falling charge in the gravitational field is shown to be exactly the same as that of a charge moving uniformly in an inertial frame with velocity equal to the instantaneous ‘present’ velocity of the freely falling charge.
众所周知,光线轨迹在引力场中遵循弯曲路径。这一点在观测中得到了证实,来自遥远天体的光线在太阳引力场中弯曲。我们在这里探索电场线由于重力而弯曲的现象。从理论角度来看,我们不仅确定了由引力场中支撑的光源各向同性发射的光线弯曲轨迹的确切形状,而且证明了在引力场中支持的电荷的电场线完全遵循从电荷位置的光源各向异性发射的光线轨迹。通过对在瞬时静止框架中均匀加速的电荷的静电场的详细检查,利用强等效原理,我们确定了电荷在引力场中的电场线的弯曲。穿过重力场中电荷上方或下方静止的表面的电场线的分数与从位于电荷位置的源发出的与该表面相交的光线轨迹的分数完全相似。另一方面,对于重力场中自由下落的电荷,电场线不存在这种弯曲。磁力线继续从电荷的瞬时“当前”位置以径向直线延伸,从引力场中自由下落源的瞬时位置传播的光线轨迹也是如此。自由下落电荷在引力场中的电场配置与在惯性系中均匀移动的电荷的电场配置完全相同,其速度等于自由下落电荷的瞬时“当前”速度。
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引用次数: 0
Temperature-induced hysteresis in amplification and attenuation of surface-plasmon-polariton waves 表面等离子体激元波放大和衰减过程中的温度滞后现象
IF 1.2 Q3 Physics and Astronomy Pub Date : 2023-05-31 DOI: 10.1088/2399-6528/acda7a
T. Mackay, T. Son, A. Haché, A. Lakhtakia
The propagation of surface-plasmon-polariton (SPP) waves at the planar interface of a metal and a dielectric material was investigated for a dielectric material with strongly temperature-dependent constitutive properties. The metal was silver and the dielectric material was vanadium multioxide impregnated with a combination of active dyes. Depending upon the volume fraction of vanadium multioxide, either attenuation or amplification of the SPP waves may be achieved; the degree of attenuation or amplification is strongly dependent on both the temperature and whether the temperature is increasing or decreasing. At intermediate volume fractions of vanadium multioxide, for a fixed temperature, a SPP wave may experience attenuation if the temperature is increasing but experience amplification if the temperature is decreasing.
研究了具有强温度相关本构特性的介电材料的表面等离子体激元(SPP)波在金属和介电材料平面界面上的传播。金属是银,介电材料是用活性染料的组合浸渍的钒多氧化物。根据钒多氧化物的体积分数,可以实现SPP波的衰减或放大;衰减或放大的程度强烈地取决于温度以及温度是增加还是减少。在钒多氧化物的中等体积分数下,对于固定温度,如果温度升高,SPP波可能会衰减,但如果温度降低,则会放大。
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引用次数: 0
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Journal of Physics Communications
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