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Unraveling impacts of polycrystalline microstructures on ionic conductivity of ceramic electrolytes by computational homogenization and machine learning 通过计算均质化和机器学习揭示多晶微结构对陶瓷电解质离子电导率的影响
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-09 DOI: 10.1063/5.0223138
Xiang-Long Peng, Bai-Xiang Xu
The ionic conductivity at the grain boundaries (GBs) in oxide ceramics is typically several orders of magnitude lower than that within the grain interior. This detrimental GB effect is the main bottleneck for designing high-performance ceramic electrolytes intended for use in solid-state lithium-ion batteries, fuel cells, and electrolyzer cells. The macroscopic ionic conductivity in oxide ceramics is essentially governed by the underlying polycrystalline microstructures where GBs and grain morphology go hand in hand. This provides the possibility to enhance the ion conductivity by microstructure engineering. To this end, a thorough understanding of microstructure–property correlation is highly desirable. In this work, we investigate numerous polycrystalline microstructure samples with varying grain and grain boundary features. Their macroscopic ionic conductivities are numerically evaluated by the finite element homogenization method, whereby the GB resistance is explicitly regarded. The influence of different microstructural features on the effective ionic conductivity is systematically studied. The microstructure–property relationships are revealed. Additionally, a graph neural network-based machine learning model is constructed and trained. It can accurately predict the effective ionic conductivity for a given polycrystalline microstructure. This work provides crucial quantitative guidelines for optimizing the ionic conducting performance of oxide ceramics by tailoring microstructures.
氧化物陶瓷晶界(GB)处的离子电导率通常比晶粒内部的离子电导率低几个数量级。这种有害的 GB 效应是设计用于固态锂离子电池、燃料电池和电解槽的高性能陶瓷电解质的主要瓶颈。氧化物陶瓷的宏观离子导电性主要受底层多晶微结构的影响,其中 GB 与晶粒形态密切相关。这为通过微结构工程提高离子导电性提供了可能。为此,深入了解微观结构与性能的相关性是非常必要的。在这项工作中,我们研究了许多具有不同晶粒和晶界特征的多晶微结构样品。通过有限元均质化方法对它们的宏观离子电导率进行了数值评估,其中明确考虑了 GB 电阻。系统研究了不同微观结构特征对有效离子电导率的影响。揭示了微观结构与性能之间的关系。此外,还构建并训练了基于图神经网络的机器学习模型。该模型可以准确预测给定多晶微结构的有效离子电导率。这项工作为通过定制微结构优化氧化物陶瓷的离子导电性能提供了重要的定量指导。
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引用次数: 0
A practical guide to light-sheet microscopy for nanoscale imaging: Looking beyond the cell. 用于纳米级成像的光片显微镜实用指南:超越细胞。
IF 2.7 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-07 Epub Date: 2024-09-04 DOI: 10.1063/5.0218262
Stephanie N Kramer, Jeanpun Antarasen, Cole R Reinholt, Lydia Kisley

We present a comprehensive guide to light-sheet microscopy (LSM) to assist scientists in navigating the practical implementation of this microscopy technique. Emphasizing the applicability of LSM to image both static microscale and nanoscale features, as well as diffusion dynamics, we present the fundamental concepts of microscopy, progressing through beam profile considerations, to image reconstruction. We outline key practical decisions in constructing a home-built system and provide insight into the alignment and calibration processes. We briefly discuss the conditions necessary for constructing a continuous 3D image and introduce our home-built code for data analysis. By providing this guide, we aim to alleviate the challenges associated with designing and constructing LSM systems and offer scientists new to LSM a valuable resource in navigating this complex field.

我们介绍了光片显微镜(LSM)的综合指南,以帮助科学家掌握这种显微镜技术的实际应用。我们强调了光片显微镜对静态微米级和纳米级特征以及扩散动力学成像的适用性,介绍了显微镜的基本概念、光束轮廓考虑因素以及图像重建。我们概述了构建自制系统的关键实际决策,并深入介绍了对准和校准过程。我们简要讨论了构建连续三维图像的必要条件,并介绍了用于数据分析的自制代码。通过提供这本指南,我们旨在减轻与设计和构建 LSM 系统相关的挑战,并为初涉 LSM 的科学家提供导航这一复杂领域的宝贵资源。
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引用次数: 0
Depth profiles of electron and hole traps generated by reactive ion etching near the surface of 4H-SiC 反应离子蚀刻在 4H-SiC 表面附近产生的电子和空穴陷阱的深度剖面图
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-06 DOI: 10.1063/5.0221700
Shota Kozakai, Haruki Fujii, Mitsuaki Kaneko, Tsunenobu Kimoto
Deep levels in the whole bandgap of 4H-SiC generated by reactive ion etching (RIE) are investigated with both n- and p-type SiC Schottky barrier diodes by deep-level transient spectroscopy (DLTS). Depth profiles of the observed deep levels were analyzed using the DLTS peak intensities at various bias voltages and numerical calculations. The major electron traps detected after RIE and subsequent annealing at 1300 °C include the Z1/2 (EC−0.66 eV), ON1 (EC−0.88 eV), ON2 (EC−0.95 eV), and EH6/7 (EC−1.50 eV) centers, and the major hole traps include the UK1 (EV+0.51 eV), UK2 (EV+0.72 eV), HK0 (EV+0.77 eV), HK2 (EV+0.79 eV), and HK3 (EV+1.31 eV) centers, where EC and EV denote the conduction and valence band edges, respectively. Most of the traps were localized near the surface (&lt;0.5 μm) with a maximum density of about 1×1015 cm−3, but several traps such as the ON1 and HK0 centers penetrate deep into the bulk region (&gt;2 μm). By annealing at 1400 °C, most of the hole traps were eliminated, but several electron traps remained. From these results, the origins of these defects are discussed.
通过深电平瞬态光谱 (DLTS),研究了反应离子蚀刻 (RIE) 在 n 型和 p 型 SiC 肖特基势垒二极管中产生的 4H-SiC 全带隙深电平。利用不同偏置电压下的 DLTS 峰强度和数值计算分析了观察到的深电平深度剖面。经过 RIE 和 1300 °C 退火后检测到的主要电子陷阱包括 Z1/2(EC-0.66 eV)、ON1(EC-0.88 eV)、ON2(EC-0.95 eV)和 EH6/7(EC-1.50 eV)中心,而主要的空穴陷阱包括 UK1(EV+0.51 eV)、UK2(EV+0.72 eV)、HK0(EV+0.77 eV)、HK2(EV+0.79 eV)和 HK3(EV+1.31 eV)中心,其中 EC 和 EV 分别表示导带和价带边缘。大多数陷阱都集中在表面附近(&lt;0.5 μm),最大密度约为 1×1015 cm-3,但也有几个陷阱,如 ON1 和 HK0 中心,深入到体层区域(&gt;2 μm)。在 1400 °C 退火后,大部分空穴陷阱被消除,但仍有几个电子陷阱存在。根据这些结果,我们讨论了这些缺陷的起源。
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引用次数: 0
Strain engineering in 2D FETs: Physics, status, and prospects 二维场效应晶体管中的应变工程:物理学、现状和前景
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-06 DOI: 10.1063/5.0211555
Ankit Kumar, Lin Xu, Arnab Pal, Kunjesh Agashiwala, Kamyar Parto, Wei Cao, Kaustav Banerjee
In this work, we explore the physics and evaluate the merits of strain engineering in two-dimensional van der Waals semiconductor-based FETs (field-effect-transistors) using DFT (density functional theory) to determine the modulation of the channel material properties under strain, and subsequently, their effect on carrier transport properties, i.e., scattering rates, mobility, and then finally simulate and analyze dissipative current transport with a non-equilibrium Green's function–Poisson's equation self-consistent solver. The scattering model includes the effects of charged impurities, intrinsic phonons, and remote phonons as well as the screening effect due to charged carriers. Impact of strain engineering on contact resistance is also incorporated into the transport simulations to determine the potential performance enhancements using strain in practical devices. Based on the comprehensive simulation results, we identify the materials and strain configuration that provide the best improvement in performance. We demonstrate an ON-current gain of 43.3% in a biaxially compressively strained monolayer MoSe2 device achieved through unique valley-crossing. Furthermore, implications of strain engineering for emerging energy-efficient devices based on band-to-band tunneling and spintronics are evaluated to explore uncharted frontiers in beyond-CMOS electron devices.
在这项研究中,我们利用 DFT(密度泛函理论)探讨了二维范德瓦尔斯半导体场效应晶体管(FET)的物理特性并评估了应变工程的优点,确定了应变下沟道材料特性的调制,以及随后它们对载流子传输特性(即散射率、迁移率)的影响,最后利用非平衡格林函数-泊松方程自洽求解器模拟和分析了耗散电流传输。散射模型包括带电杂质、本征声子、远程声子以及带电载流子的屏蔽效应。应变工程对接触电阻的影响也被纳入了传输模拟,以确定在实际器件中利用应变提高性能的潜力。根据全面的模拟结果,我们确定了能提供最佳性能改进的材料和应变配置。我们展示了在双轴压缩应变单层 MoSe2 器件中,通过独特的谷交叉实现了 43.3% 的导通电流增益。此外,我们还评估了应变工程对基于带对带隧道和自旋电子学的新兴高能效器件的影响,以探索超越 CMOS 电子器件的未知前沿。
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引用次数: 0
Dielectric responses of spin-density wave in La1.67Sr0.33NiO4 single crystal La1.67Sr0.33NiO4 单晶中自旋密度波的介电响应
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-06 DOI: 10.1063/5.0219900
Mochammad Yan Pandu Akbar, Syafitra Salam, Cristoph P. Grams, Markus Diantoro, Bambang Prijamboedi, Joachim Hemberger, Agustinus Agung Nugroho
The dynamics of spin and charge-ordered phases in La1.67Sr0.33NiO4 single crystal have been investigated using high-frequency dielectric spectroscopy. The measurements were carried out in frequencies between 0.156 and 316 MHz and temperatures from 50 to 320 K. The intrinsic part of the response by excluding the Maxwell–Wagner relaxation region is obtained below TSDW ∼ 120 K. The intrinsic frequency-dependent real dielectric constant ɛ′ and conductivity σ′ can be well described in terms of the constant phase element revealing a complex charge-hopping process. Our results are in agreement with the spin-density-wave puddles’ picture observed by the scanning micro-x-ray diffraction technique. These demonstrate that high-frequency dielectric spectroscopy can be utilized for investigating the various order phases in other transition metal oxides by considering their intrinsic responses.
我们使用高频介电光谱法研究了 La1.67Sr0.33NiO4 单晶中自旋和电荷有序相的动力学。测量在 0.156 至 316 MHz 的频率和 50 至 320 K 的温度范围内进行。通过排除麦克斯韦尔-瓦格纳弛豫区,得到了低于 TSDW ∼ 120 K 的固有响应部分。我们的研究结果与扫描微 X 射线衍射技术观察到的自旋密度波坑图像一致。这些结果表明,通过考虑其他过渡金属氧化物的固有响应,可以利用高频介电光谱来研究它们的各种有序相。
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引用次数: 0
Tutorial: Defects in topological semimetals 教程:拓扑半金属中的缺陷
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-05 DOI: 10.1063/5.0217533
Kirstin Alberi, Chase Brooks, Ian Leahy, Stephan Lany
Three-dimensional topological semimetals are a class of electronic materials in which their bulk and surface states contain linear band touching nodes near the Fermi level. Like semiconductors, their properties will be affected by point and extended defects in their crystal structures, although the extent to which defects and disorders influence topological semimetals may differ in key ways due to their unique electronic structures. In this Tutorial, we provide an overview of the defects in topological semimetals, covering both computational and experimental methods for exploring defect-property relationships. We also include a discussion on open questions that still need to be explored further.
三维拓扑半导体是一类电子材料,它们的体态和表面态包含费米级附近的线性带触节点。与半导体一样,它们的特性也会受到晶体结构中的点缺陷和扩展缺陷的影响,不过由于拓扑半金属独特的电子结构,缺陷和失调对它们的影响程度可能在关键方面有所不同。在本教程中,我们将概述拓扑半金属中的缺陷,包括探索缺陷-性质关系的计算和实验方法。我们还讨论了仍需进一步探索的开放性问题。
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引用次数: 0
Coupled electro-chemo-viscoelastic constitutive model for a supercapacitor electrode 超级电容器电极的电化学-粘弹性耦合构造模型
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-05 DOI: 10.1063/5.0209577
James G. Boyd, Dimitrios Loufakis, Jodie L. Lutkenhaus
The motion of ions in supercapacitor electrodes produces internal stresses that cause viscoelastic strains. In addition, stresses may be due to external forces applied to structural supercapacitors, which are multifunctional materials that simultaneously store energy and carry structural loads. There are currently no thermodynamics-based models for the coupled electro-chemo-viscoelastic response of electrodes. Here, the same thermodynamics model is used for both the viscoelastic response and the electrochemical response. This mathematical equivalence is a reference from which to study coupling between the viscoelastic and electrochemical responses. The model has two inputs (stress or strain and electric potential or specific charge) and two outputs (strain or stress and specific charge or electric potential). The coupling is studied by adding three constants in the free energy. The convexity of the free energy and the stability of the free response limit the magnitude of the coupling. The unit response matrix is derived, and results are given for the time and frequency domains. The effect of an applied potential on stress is shown to be much more significant than the converse effect. The model compares well to an experiment consisting of a cyclic electric current applied during stress relaxation.
超级电容器电极中的离子运动会产生内应力,导致粘弹性应变。此外,应力还可能来自施加在超级电容器结构上的外力,超级电容器是一种多功能材料,可同时储存能量和承受结构负荷。目前还没有基于热力学的电极电化学-粘弹性耦合响应模型。在这里,粘弹性响应和电化学响应采用了相同的热力学模型。这种数学等价性为研究粘弹性响应和电化学响应之间的耦合提供了参考。该模型有两个输入(应力或应变、电动势或比电荷)和两个输出(应变或应力、比电荷或电动势)。通过在自由能中添加三个常数来研究耦合。自由能的凸性和自由响应的稳定性限制了耦合的大小。得出了单位响应矩阵,并给出了时域和频域的结果。结果表明,外加电势对应力的影响要比反向影响大得多。该模型与在应力松弛过程中施加循环电流的实验进行了很好的比较。
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引用次数: 0
Effect of width and thickness on propagating spin waves in permalloy microstripe waveguides 宽度和厚度对 permalloy 微条纹波导中传播的自旋波的影响
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-05 DOI: 10.1063/5.0223672
M. S. Devapriya, Nair S. Aditya, Mahathi Kuchibhotla, Adekunle Olusola Adeyeye, Arabinda Haldar
We report the effect of thickness and width on the spin wave transport and dispersion characteristics of permalloy (Py) microstripes using analytical calculations and experiments. Py waveguides with widths ranging from 2 to 4 μm were fabricated for two different thicknesses: 5 and 20 nm. Our results show a notable increase in the group velocity of spin waves with greater thickness, showing a fourfold rise as the thickness increases. Additionally, the accessible frequency range expands from 0.6 to 2.5 GHz as the thickness increases. We find that the spin wave mode frequency is affected by both thickness and width, with a frequency shift of approximately 0.2 GHz observed when the width increases from 2 to 4 μm. Moreover, spin waves decay more rapidly in thinner films, with the decay length of 20 nm-thick waveguides being four times longer than that of 5 nm-thick waveguides. Thicker and wider waveguides provide a longer decay length, facilitating the transmission of information over longer distances without significant energy loss. Our study offers an understanding of the spin wave propagation in microstrip waveguides and its potential in the development of future magnonic devices.
我们利用分析计算和实验报告了厚度和宽度对坡莫合金(Py)微带的自旋波传输和色散特性的影响。我们制作了宽度为 2 至 4 μm 的 Py 波导,厚度分别为 5 和 20 nm:5 纳米和 20 纳米。我们的研究结果表明,自旋波的群速度随着厚度的增加而显著提高,厚度增加时群速度提高了四倍。此外,随着厚度的增加,可访问的频率范围也从 0.6 GHz 扩大到 2.5 GHz。我们发现,自旋波模式频率同时受到厚度和宽度的影响,当宽度从 2 微米增加到 4 微米时,观察到大约 0.2 千兆赫的频率偏移。此外,自旋波在较薄的薄膜中衰减得更快,20 纳米厚波导的衰减长度是 5 纳米厚波导的四倍。更厚更宽的波导提供了更长的衰减长度,有利于在没有明显能量损失的情况下实现更长距离的信息传输。我们的研究有助于了解自旋波在微带波导中的传播及其在未来磁性器件开发中的潜力。
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引用次数: 0
Impedance measurements on kerosene-based ferrofluids 煤油基铁流体的阻抗测量
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-05 DOI: 10.1063/5.0223322
F. Batalioto, K. Parekh, G. Barbero, A. M. Figueiredo Neto
We study the impedance behavior of two ferrofluids, of a similar magnetic material, one constituted by spherical nanoparticles and the other constituted by cubes, both suspended in kerosene. The ferrofluid constituted by cubic nanoparticles has 10% doping of a rare earth ion. The samples were inserted between two parallel disk-like electrodes of area S=2.3cm2 made of surgical steel, separated by d=127μm. The impedance was measured by applying a sinusoidal voltage of amplitude V0=30 mV, from 1 mHz to 100 kHz. To analyze the experimental data, we use a model based on the Poisson–Nernst–Planck equations, with Ohmic boundary conditions. In the analysis, we assume that the ferrofluids contain free ions, originated from the manufacturing process, released by the stabilization layer around the magnetic nanoparticles dispersed in kerosene. The corresponding nanoparticles are charged of opposite signs with respect to these free ions. In the high frequency region, the effective diffusion coefficient coincides with that from the free diffusion coefficients, defined as the mathematical average between the diffusion coefficients of the nanoparticles and the free ions. In the low frequency region, we found the ambipolar diffusion coefficient, defined as their harmonic average. The effect of the electrodes is taken into account by means of surface conductivity to describe the conduction current across the electrode, assumed to be proportional to the surface electric field. In this model, the role of the electrodes is important just in the low frequency region. On the contrary, in the high frequency region, where the electric current is dominated by the displacement current, the role of the electrodes is negligible. The results show that the nanoparticles of the magnetic material have no effects on the higher-frequency range of the impedance spectra. In the low frequency region, our results indicate a difference in the electric response of the two ferrofluids. Due to their similar dimensions and, hence, similar ambipolar diffusion coefficients, we impute the observed different behavior to the charge transfer from the bulk to the external circuit included in the surface conductivity.
我们研究了两种磁性材料类似的铁流体的阻抗行为,一种由球形纳米粒子构成,另一种由立方纳米粒子构成,两者都悬浮在煤油中。由立方纳米粒子构成的铁流体掺杂了 10%的稀土离子。样品被放置在两个平行的圆盘状电极之间,这两个电极由外科钢制成,面积 S=2.3 平方厘米,相距 d=127μm。测量阻抗的方法是施加振幅为 V0=30 mV 的正弦电压,频率范围为 1 mHz 至 100 kHz。为了分析实验数据,我们使用了一个基于泊松-奈恩斯特-普朗克方程的模型,该模型具有欧姆边界条件。在分析过程中,我们假定铁流体中含有游离离子,游离离子源于制造过程,由分散在煤油中的磁性纳米粒子周围的稳定层释放出来。相应的纳米粒子带与这些游离离子相反的电荷。在高频区域,有效扩散系数与自由扩散系数相吻合,后者被定义为纳米粒子扩散系数与自由离子扩散系数的数学平均值。在低频区域,我们发现了伏极扩散系数,其定义为它们的谐波平均值。电极的影响是通过表面电导率来描述跨电极的传导电流,假定其与表面电场成正比。在这一模型中,电极的作用仅在低频区域非常重要。相反,在电流由位移电流主导的高频区域,电极的作用可以忽略不计。结果表明,磁性材料的纳米颗粒对阻抗谱的高频范围没有影响。在低频区域,我们的结果表明两种铁流体的电响应存在差异。由于它们的尺寸相似,因此具有相似的极性扩散系数,我们将观察到的不同行为归因于表面电导率中包含的从体到外电路的电荷转移。
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引用次数: 0
Amplification of acoustic orbital angular momentum from non-absorbent impellers 非吸收性叶轮的声轨道角动量放大
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-05 DOI: 10.1063/5.0218404
Lianyun Liu, Zhigang Chu
Zeldovich amplification of classic waves carrying orbital angular momentum (OAM) from a rotating absorber is an extension of Penrose superradiance from a rotating black hole. The demonstration of Zeldovich amplification in recently published experiments showed the possibility of extracting energy from a spinning black hole or a rotating absorber. However, it remains unclear whether extracting energy from non-absorbent bodies is possible. Here, we experimentally demonstrate the amplification of acoustic OAM from rotating impellers made of non-absorbent materials. We develop a multichannel least-mean-square algorithm to emit high-charge acoustic OAM beams into three types of impellers. The acoustic gains (more than 20 dB) have been measured by both a static microphone and a microphone array working as a virtual rotating receiver. The results indicate that the acoustic gain from the impeller with a large windward area is much higher than the ones with a small area. Our work is worthwhile in proposing the experimental method to study the phenomenon of acoustic OAM amplification and showing prospects in industrial applications such as amplifying acoustic signals by commonly used impellers. Our work also discusses a possible way of extracting energy from non-absorbent celestial systems, such as the orbiting planets of the Solar system, which are much less absorbent to light but much closer to the Earth than a black hole.
来自旋转吸收器的携带轨道角动量(OAM)的经典波的泽尔多维奇放大是来自旋转黑洞的彭罗斯超辐射的延伸。在最近发表的实验中,泽尔多维奇放大效应的演示表明了从旋转黑洞或旋转吸收器中提取能量的可能性。然而,从非吸收体中提取能量是否可能仍不清楚。在这里,我们通过实验证明了从非吸收材料制成的旋转叶轮中放大声学 OAM 的可能性。我们开发了一种多通道最小均方算法,向三种类型的叶轮发射高电荷声 OAM 光束。通过静态传声器和作为虚拟旋转接收器工作的传声器阵列测量了声增益(超过 20 dB)。结果表明,迎风面积大的叶轮的声增益远远高于迎风面积小的叶轮。我们的研究提出了研究声学 OAM 放大现象的实验方法,并展示了其在工业应用中的前景,如通过常用叶轮放大声学信号。我们的工作还讨论了从非吸收性天体系统(如太阳系的轨道行星)中提取能量的一种可能方法,这些天体系统对光线的吸收能力比黑洞小得多,但距离地球更近。
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引用次数: 0
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Journal of Applied Physics
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