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Atomistic simulation on the deposition behavior of cold spray 冷喷沉积行为的原子模拟
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-09 DOI: 10.1063/5.0218416
Jianrui Feng, Erfeng An, Wensen Zhao
Cold spray is an effective method for surface coating, which has been applied in various engineering areas. However, it is difficult to directly observe the dynamic deformation process in experiments. This paper applies the molecular dynamics simulation to model the deposition of a monocrystalline Cu particle onto a Cu substrate and, subsequently, carries out a systematic study on the deposition mechanism and microstructure evolution. The results indicate that the deposition process consists of an impact stage and a relaxation stage. It is mainly the high speed collision and the friction following the collision that lead to particle deposition, which, under different circumstances, can be defined as surface deposition or penetration deposition. Two methods, namely, drastic shear deformation and cooling in the relaxation stage, can help form nanocrystallines. Jetting and melting are not the necessary factors for the deposition of nano-sized particles. The formation of dislocation lines is influenced by impact velocities. At lower impact velocities, the dislocation lines are mainly distributed near the contact surface. However, when the impact velocity is higher, dislocation lines are almost uniformly distributed in the particle.
冷喷是一种有效的表面涂层方法,已被应用于多个工程领域。然而,在实验中很难直接观察到动态变形过程。本文应用分子动力学模拟建立了单晶铜粒子在铜基底上的沉积模型,并随后对沉积机理和微观结构演变进行了系统研究。结果表明,沉积过程由碰撞阶段和弛豫阶段组成。主要是高速碰撞和碰撞后的摩擦导致颗粒沉积,在不同情况下,可定义为表面沉积或渗透沉积。急剧的剪切变形和松弛阶段的冷却这两种方法有助于形成纳米晶体。喷射和熔化并不是纳米级颗粒沉积的必要因素。位错线的形成受冲击速度的影响。在较低的冲击速度下,位错线主要分布在接触面附近。然而,当冲击速度较高时,位错线几乎均匀地分布在颗粒中。
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引用次数: 0
Electromagnetic modulating action in a microstrip cavity with embedded two detuned resonators 嵌入两个失谐谐振器的微带空腔中的电磁调制作用
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-09 DOI: 10.1063/5.0227168
Rui Jiang, Lei Gao, Lei Yang, Wenzhe He, Jun Wang, Qian Wu, Yong Sun, Quanying Wu, Yongqiang Chen
We present a novel approach for actively controlling electromagnetically induced transparency (EIT) analogs in a single-mode microstrip cavity. This cavity is side-coupled with a pair of varactor-loaded split-ring resonators (SRRs). The EIT-like effect is achieved through resonance hybridization between the paired SRRs with frequency detuning. The microstrip cavity is utilized to enhance the EIT-like transmission properties, including Q-factor and group delay. Varactor diodes, soldered at the gap of the SRRs, are biased electrically through a DC voltage source. This dynamic modulation setup allows for the tuning of the enhanced EIT analog. Experimental results demonstrate that the enhanced EIT-like transmission spectrum can be tuned reversibly by 378 MHz with respect to the transmission dip frequency of 2.464 GHz under the bias voltage ranging from 0 to 5 V. Simultaneously, the controlled transmission spectrum enables a remarkable change in group delay of 10.9 ns. Moreover, the modulation amplitude of the composite SRRs-cavity structure reaches a peak value of up to 34.5 dB, significantly higher than the 6.4 dB of the individual SRRs pair. These results hold promise for inspiring innovation in actively controlled photonic devices for practical applications.
我们提出了一种在单模微带腔中主动控制电磁诱导透明(EIT)类似物的新方法。该空腔侧面耦合了一对变容二极管加载的分环谐振器(SRR)。类似 EIT 的效果是通过频率失谐的成对 SRR 之间的共振杂化实现的。微带腔用于增强类 EIT 传输特性,包括 Q 因子和群延迟。焊接在 SRR 间隙的变容二极管通过直流电压源进行电偏压。这种动态调制设置允许对增强型 EIT 模拟进行调整。实验结果表明,在 0 至 5 V 的偏置电压下,增强型 EIT 类传输频谱可相对于 2.464 GHz 的传输骤降频率可逆地调整 378 MHz。与此同时,受控传输频谱还能使群延迟发生显著变化,达到 10.9 ns。此外,复合 SRRs-Cavity 结构的调制幅度峰值高达 34.5 dB,明显高于单个 SRRs 对的 6.4 dB。这些结果有望激发实际应用中主动控制光子器件的创新。
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引用次数: 0
Near-infrared irradiation study of honey-mediated Au nanoparticles for photothermal therapy 用于光热疗法的蜂蜜介导金纳米粒子的近红外辐照研究
IF 3.2 3区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-09 DOI: 10.1063/5.0219146
K. Kan-Dapaah, J. A. Aidoo, B. Agyei-Tuffour, B. Mensah, A. Yaya, S. A. Abudu, S. W. K. Hatekah
Gold nanoparticles synthesized via honey-mediated chemical reduction have desirable features that make them ideal candidates for nanoparticle-assisted photothermal therapy (N-PTT). However, their photothermal properties have not been previously explored. In this study, after synthesis and characterization (structural and optical) of the HM-AuNPs, we investigated their photothermal conversion efficiency (η) and absorption cross section (σabs) in aqueous solution, cytotoxic effects in in vitro MDA-MB-468 breast cancer cell culture, and temperature profiles in agarose gel under 810 nm NIR irradiation. The results showed that ≈15 nm and primarily spherical HM-AuNPs had η values of up to 40% and an average σabs of 2.15±0.08×10−18 m2. Furthermore, cell viability was reduced to about 52% and the temperature profile in agarose gel had the typical radially increasing topology. Collectively, the findings show that HM-AuNPs can be used in N-PTT.
通过蜂蜜介导的化学还原法合成的金纳米粒子具有理想的特性,使其成为纳米粒子辅助光热疗法(N-PTT)的理想候选材料。然而,人们此前尚未探索过它们的光热特性。在本研究中,在合成 HM-AuNPs 并对其进行表征(结构和光学)后,我们研究了它们在水溶液中的光热转换效率(η)和吸收截面(σabs)、在体外 MDA-MB-468 乳腺癌细胞培养中的细胞毒性效应以及在 810 纳米近红外照射下琼脂糖凝胶中的温度曲线。结果表明,≈15 纳米且主要为球形的 HM-AuNPs 的 η 值高达 40%,平均 σabs 为 2.15±0.08×10-18 m2。此外,细胞存活率降低至约 52%,琼脂糖凝胶中的温度曲线呈典型的径向拓扑增加。总之,这些研究结果表明,HM-AuNPs 可用于 N-PTT。
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引用次数: 0
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
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Journal of Applied Physics
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