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Interatomic potentials: achievements and challenges 原子间潜能:成就与挑战
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-04-20 DOI: 10.1080/23746149.2022.2093129
M. Muser, S. Sukhomlinov, L. Pastewka
Interatomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of many-atom systems. Here, we review empirical interatomic potentials designed to reproduce elastic properties, defect energies, bond breaking, bond formation, and even redox reactions. We discuss popular two-body potentials, embedded-atom models for metals, bond-order potentials for covalently bonded systems, polarizable potentials including charge-transfer approaches for ionic systems and quantum-Drude oscillator models mimicking higher-order and many-body dispersion. Particular emphasis is laid on the question what constraints ensue from the functional form of a potential, e.g., in what way Cauchy relations for elastic tensor elements can be violated and what this entails for the ratio of defect and cohesive energies, or why the ratio of boiling to melting temperature tends to be large for potentials describing metals but small for short-ranged pair potentials. The review is meant to be pedagogical rather than encyclopedic. This is why we highlight potentials with functional forms sufficiently simple to remain amenable to analytical treatments. Our main objective is to provide a stimulus for how existing approaches can be advanced or meaningfully combined to extent the scope of simulations based on empirical potentials.
原子间势近似于原子的势能,作为原子坐标的函数。它们的主要应用是对多原子系统的有效模拟。在这里,我们回顾了用于再现弹性特性、缺陷能、键断裂、键形成甚至氧化还原反应的经验原子间势。我们讨论了流行的二体势、金属的嵌入原子模型、共价键系统的键序势、离子系统的极化势(包括电荷转移方法)以及模拟高阶和多体色散的量子德鲁德振荡器模型。特别强调的问题是,从势的函数形式中产生了什么约束,例如,弹性张量元的柯西关系以什么方式被违反,缺陷能和内聚能的比例需要什么,或者为什么对于描述金属的势来说,沸腾温度和熔化温度的比例往往很大,而对于短程对势来说,这个比例很小。这篇评论是教育性的,而不是百科全书式的。这就是为什么我们强调功能形式足够简单的潜力,以保持对分析处理的适应性。我们的主要目标是为如何改进现有方法或有意义地结合以扩大基于经验潜力的模拟范围提供刺激。
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引用次数: 12
Properties and applications of quantum dots derived from two-dimensional materials 二维材料衍生量子点的性质与应用
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-04-17 DOI: 10.1080/23746149.2022.2048966
H. Abdelsalam, Q. Zhang
ABSTRACT Quantum dots based on two-dimensional materials (2D-QDs) have received significant attention due to their exceptional physical, chemical, and biological properties. They have shown unprecedented performance and efficiency in many fields including electronics, spintronics, energy, water treatment, sensors, and biological applications. This article provides a critical review on the recent progress of 2D-DQs, their synthesis approaches, categories, properties, and applications. The review introduces various types of 2D-QDs, such as graphene, hBN, silicene, phosphorene, transition metal dichalcogenides, and MXenes that show a wide range of properties applicable for different fields. We describe in detail the electronic, magnetic, optical, catalytic, and biological properties of 2D-QDs and relate them to the suitable applications. Future directions for the research in 2D-QDs are given based on the novel properties provided by the newly discovered 2D materials and their heterostructures. Graphical Abstract
基于二维材料的量子点(2D-QDs)由于其特殊的物理、化学和生物特性而受到广泛关注。它们在包括电子、自旋电子学、能源、水处理、传感器和生物应用在内的许多领域显示出前所未有的性能和效率。本文综述了2D-DQs的合成方法、分类、性质和应用等方面的最新进展。本文介绍了各种类型的2D-QDs,如石墨烯、hBN、硅烯、磷烯、过渡金属二硫族化合物和MXenes,它们具有广泛的性能,适用于不同的领域。我们详细描述了2D-QDs的电子、磁性、光学、催化和生物特性,并将它们与合适的应用联系起来。基于新发现的二维材料及其异质结构提供的新特性,给出了二维量子点的未来研究方向。图形抽象
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引用次数: 15
Electromagnetically induced transparency quantum memory for non-classical states of light 非经典光态的电磁感应透明量子存储器
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-04-17 DOI: 10.1080/23746149.2022.2060133
Xing Lei, Lixia Ma, Jieli Yan, Xiaoyu Zhou, Zhihui Yan, X. Jia
ABSTRACT Quantum memory (QM) enables quantum state mapping between flying and stationary quantum states and is the building block of quantum information science, which enables to achieve a plethora of quantum information protocols, such as quantum state transfer across remote quantum nodes, distributed quantum logic gate, and quantum precession measurement network. Great progresses of quantum memories have been achieved, and electromagnetically induced transparency (EIT) is one of the well-understood approaches of QM. Quantum states of light are the essential quantum resources for implementing quantum enhanced task, and thus it is a long-standing goal to store and release non-classical states of light. This paper presents an up-to-date review on recent developments in EIT-based QM: EIT quantum memories have been realized in warm atomic cell, cold atoms and solid system, respectively; and EIT mechanism has been applied to store and release single photon, squeezed state, entangled photon pairs and multipartite entangled states of optical modes. Graphical Abstract
摘要量子存储器(QM)实现了飞行量子态和静止量子态之间的量子状态映射,是量子信息科学的基石,它能够实现大量量子信息协议,如跨远程量子节点的量子状态转移、分布式量子逻辑门和量子旋进测量网络。量子存储器已经取得了很大的进展,电磁感应透明(EIT)是QM的一种众所周知的方法。光的量子态是实现量子增强任务的重要量子资源,因此存储和释放光的非经典态是一个长期的目标。本文对基于EIT的QM的最新进展进行了综述:EIT量子存储器已分别在热原子电池、冷原子和固体系统中实现;EIT机制已被应用于存储和释放光学模式的单光子、压缩态、纠缠光子对和多部分纠缠态。图形摘要
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引用次数: 6
Atomic scale switches based on solid state ionics 基于固态离子的原子尺度开关
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-04-13 DOI: 10.1080/23746149.2022.2065217
K. Terabe, T. Tsuchiya, T. Tsuruoka
ABSTRACT The atomic scale switch, which operates on the principle of solid-state ionics, is an ultrafine device that takes advantage of the fact that the properties of materials can be changed significantly by the transport and chemical reaction of a small number of ions in a solid. The switch (e.g. ‘atomic switch’) actually works by using an ion-conducting solid electrolyte or an ion-/electron-conducting mixed-conductor as the device material, and by applying an external voltage to control local ion transport and electrochemical reaction. With the application of an external voltage, a bridge is formed as a conductive filament in the solid electrolyte or the mixed conductor between electrodes. The atomic structure of the point contact in said filament can be reversibly changed by precise control of the applied voltage. By controlling the atomic structure of the point contact, interesting functions are obtained, such as fast on/off resistive switching, switching between each state of quantized conductance and neuromorphic properties. This atomic scale switch has the potential to overcome the functional and performance limitations of conventional integrated circuits because it can be used in conjunction with extant semiconductor devices. Graphical abstract
摘要原子级开关是一种基于固态离子原理的超细器件,它利用了固体中少量离子的传输和化学反应可以显著改变材料性质的事实。开关(例如“原子开关”)实际上是通过使用离子导电固体电解质或离子/电子导电混合导体作为器件材料,并通过施加外部电压来控制局部离子传输和电化学反应来工作的。通过施加外部电压,在固体电解质或电极之间的混合导体中形成桥作为导电细丝。所述细丝中的点接触的原子结构可以通过精确控制所施加的电压而可逆地改变。通过控制点接触的原子结构,可以获得有趣的功能,例如快速导通/截止电阻切换、量化电导的每个状态之间的切换和神经形态特性。这种原子级开关有可能克服传统集成电路的功能和性能限制,因为它可以与现有的半导体器件结合使用。图形摘要
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引用次数: 2
Physical mechanisms underpinning conductometric gas sensing properties of metal oxide nanostructures 支撑金属氧化物纳米结构电导气敏性能的物理机制
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-04-12 DOI: 10.1080/23746149.2022.2044904
R. Leturcq, R. Bhusari, E. Barborini
ABSTRACT In the domain of gas sensing, metal oxide nanostructures have been demonstrated to have very attractive properties due to their large surface-over-volume ratio, combined with the possibility to use multiple materials and multi-functional properties. Here, we review the basic physical principles underlying the transducer function of metal oxide nanostructures, from single nanostructures to nanostructure networks. These principles have been adapted to describe the response of more complex nanostructures, such as heterostructures, combining two different metal oxide materials, or a metal with a metal oxide, in order to further enhance the sensitivity and selectivity of such devices. We finally present the activation of nanostructures by light exposure as a promising alternative to the standard method based on high temperature activation, which is earning increasing consensus in the perspective of low-power Internet of Things applications. Graphical abstract
摘要在气体传感领域,金属氧化物纳米结构由于其大的表面体积比,以及使用多种材料和多功能性能的可能性,已被证明具有非常有吸引力的性能。在这里,我们回顾了金属氧化物纳米结构的换能器功能的基本物理原理,从单个纳米结构到纳米结构网络。这些原理已经适用于描述更复杂的纳米结构的响应,例如异质结构,将两种不同的金属氧化物材料或一种金属与一种金属氧化物相结合,以进一步提高这种器件的灵敏度和选择性。最后,我们提出了通过光暴露激活纳米结构,作为基于高温激活的标准方法的一种有前途的替代方法,这在低功耗物联网应用的角度上获得了越来越多的共识。图形摘要
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引用次数: 5
Quasi-one-dimensional topological material Bi4X4(X=Br,I) 准一维拓扑材料Bi4X4(X=Br,I)
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-04-12 DOI: 10.1080/23746149.2022.2057234
Junfeng Han, W. Xiao, Yugui Yao
ABSTRACT Bismuth halogenides, a family of quasi-one-dimensional (1D) materials, including α and α phases of Bi4Br4 and Bi4I4, have been predicted to exhibit rich and interesting topological properties. The single layer of Bi4Br4 was demonstrated to be a quantum spin Hall insulator (QSHI) with a 0.18 eV gap. Such a band gap is large enough for the observation of QSHI at room temperature. Bulk α-Bi4Br4 was categorized as a higher-order topological insulator and was soon examined in experiments. In addition, the α-Bi4Br4 exhibit simultaneously the topological phase and superconductive phase under 3.8–4.3 GPa pressure. While the single layer of Bi4I4 was shown to be close to the critical point of the QSHI/trivial-insulator phase transition, the α-Bi4I4 was considered to be a strong or weak topological insulator. In this work, we reviewed the recent progress in the topological properties of bismuth halogenides, including the theoretical calculations, angle-resolved photoemission spectroscopy, scanned tunneling microscopy analyses, quantum transport measurement and the superconducting phase transfer under pressure. We expect further research of this family material about the non-trivial superconductor and possible Majorana, room-temperature quantum transport effect and potential application in the quantum device for the electronics and information technology. Graphical Abstract
卤代铋是一类准一维(1D)材料,包括Bi4Br4和Bi4I4的α相和α相,具有丰富而有趣的拓扑性质。单层Bi4Br4被证明是一个量子自旋霍尔绝缘体(QSHI),隙为0.18 eV。这样的带隙足够大,可以在室温下观测QSHI。体α-Bi4Br4被归类为高阶拓扑绝缘体,并很快在实验中得到验证。此外,α-Bi4Br4在3.8 ~ 4.3 GPa压力下同时表现出拓扑相和超导相。虽然单层Bi4I4被证明接近QSHI/琐细绝缘子相变的临界点,但α-Bi4I4被认为是强或弱拓扑绝缘子。本文综述了近年来卤化铋拓扑性质的研究进展,包括理论计算、角分辨光发射光谱、扫描隧道显微镜分析、量子输运测量和压力下超导相转移。我们期待着该家族材料在非平凡超导体和可能的马约拉纳、室温量子输运效应以及在电子和信息技术量子器件中的潜在应用等方面的进一步研究。图形抽象
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引用次数: 2
Characterization of metal-organic frameworks by transmission electron microscopy 金属有机骨架的透射电镜表征
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-03-16 DOI: 10.1080/23746149.2022.2046157
Jialin Zhang, N. Cheng, B. Ge
ABSTRACT To address the increasing energy consumption and serious environmental problems, it is critical to develop efficient and clean energy conversion and storage devices. Among various categories of materials, metal-organic frameworks (MOFs) are one of the promising candidates that can realize the practical application of these devices. Therefore, it has been recognized that revealing the composition-structure-property relationship of MOFs by transmission electron microscopy (TEM) can offer some guidelines for designing novel materials with desirable properties. Nevertheless, owing to their organic parts, MOFs are too beam sensitive to be characterized by high energy electrons. To resolve this problem, various advanced techniques have been developed to accomplish the static and dynamic MOFs characterizations. Herein, we made a brief summary of the updated progress on characterization of MOFs by TEM until now, and revealed the key issues associated with static and dynamic TEM characterization of MOFs. Graphical Abstract
为了解决日益增长的能源消耗和日益严重的环境问题,开发高效、清洁的能源转换与存储设备至关重要。在各种各样的材料中,金属有机框架(MOFs)是实现这些器件实际应用的有前途的候选材料之一。因此,利用透射电子显微镜(TEM)揭示mof的组成-结构-性能关系,可以为设计具有理想性能的新型材料提供指导。然而,由于它们的有机部分,mof对光束太敏感,不能用高能电子来表征。为了解决这一问题,人们开发了各种先进的技术来完成mof的静态和动态表征。本文简要总结了TEM表征mof的最新进展,揭示了mof静态和动态TEM表征的关键问题。图形抽象
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引用次数: 3
Deep learning for topological photonics 拓扑光子学的深度学习
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-03-15 DOI: 10.1080/23746149.2022.2046156
Jooyeong Yun, Seokwoo Kim, Sunae So, Minkyung Kim, J. Rho
ABSTRACT In this paper, we review the specific field that combines topological photonics and deep learning (DL). Recent progress of topological photonics has attracted enormous interest for its novel and exotic properties such as unidirectional propagation of electromagnetic waves and robust manipulation of photons. These phenomena are expected to meet the growing demands of next-generation nanophotonic devices. However, to model and engineer such highly-complex systems are challenging. Recently, DL, a subset of machine learning methods using neural network (NN) algorithms, has been introduced in the field of nanophotonics as an effective way to capture a complex nonlinear relationship between design parameters and their corresponding optical properties. In particular, among various fields of nanophotonics, DL applications to topological photonics empowered by NN models have shown astonishing results in capturing the global material properties of topological systems. This review presents fundamental concepts of topological photonics and the basics of DL applied to nanophotonics in parallel. Recent studies of DL applications to topological systems using NN models are discussed thereafter. The summary and outlook showing the potential of taking data-driven approaches in topological photonics research and general physics are also discussed. Graphical Abstract
本文综述了拓扑光子学与深度学习(DL)相结合的具体领域。近年来,拓扑光子学以其电磁波的单向传播和光子的鲁棒性等新奇特性引起了人们的极大兴趣。这些现象有望满足下一代纳米光子器件日益增长的需求。然而,对这种高度复杂的系统进行建模和设计是具有挑战性的。近年来,利用神经网络(NN)算法的机器学习方法子集DL作为捕获设计参数与其相应光学性质之间复杂非线性关系的有效方法被引入纳米光子学领域。特别是,在纳米光子学的各个领域中,由神经网络模型授权的深度学习应用于拓扑光子学,在捕获拓扑系统的整体材料特性方面显示出惊人的结果。本文综述了拓扑光子学的基本概念,并介绍了DL在纳米光子学中的应用。随后讨论了近年来利用神经网络模型将深度学习应用于拓扑系统的研究。本文还对数据驱动方法在拓扑光子学和普通物理学研究中的潜力进行了总结和展望。图形抽象
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引用次数: 12
Advances toward fieldable atom interferometers 可场原子干涉仪的研究进展
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-03-02 DOI: 10.1080/23746149.2021.1946426
F. Narducci, A. Black, J. H. Burke
ABSTRACT We review the field of atom interferometer inertial sensors. We begin by reviewing the path integral formulation of atom interferometers and then specialize the treatment to light-pulse atom interferometers and, in particular, gravimeters and gyroscopes. The bulk of the article focuses on the most common type of atom interferometer – the light-pulse interferometer, where the atom optics are composed of light pulses. Our article mainly focuses on a review of advances that aid in the practical implementation of atom interferometers toward gravimetry and inertial navigation. To that end, we develop a navigation model that aids in the connection of parameters and performance of atom interferometers to actual quantities of interest to the navigation community. Practical considerations of atomic inertial sensors, including dynamic range, bandwidth, dead time, and cross-coupling effects are discussed, before we review the field of accelerometer and gyroscope atom interferometers. Finally, we review advances in trapped-atom interferometers. Graphical abstract
摘要:我们综述了原子干涉仪惯性传感器领域。我们首先回顾原子干涉仪的路径积分公式,然后专门处理光脉冲原子干涉仪,特别是重力仪和陀螺仪。本文的大部分内容集中在最常见的原子干涉仪类型上——光脉冲干涉仪,其中原子光学由光脉冲组成。本文主要综述了原子干涉仪在重力测量和惯性导航方面的实际应用进展。为此,我们开发了一个导航模型,该模型有助于将原子干涉仪的参数和性能与导航界感兴趣的实际数量联系起来。在我们回顾加速度计和陀螺仪原子干涉仪领域之前,讨论了原子惯性传感器的实际考虑因素,包括动态范围、带宽、死区时间和交叉耦合效应。最后,我们回顾了俘获原子干涉仪的进展。图形摘要
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引用次数: 23
Multi-responsive micro/nanogels for optical sensing 用于光学传感的多响应微/纳米凝胶
IF 6 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2022-02-27 DOI: 10.1080/23746149.2022.2043185
Tong Shu, Liang Hu, Haley Hunter, Nicholas Balasuriya, Changhao Fang, Qiang Zhang, M. Serpe
ABSTRACT Micro/nanogels are unique materials that exhibit the properties of both colloids and hydrogels, i.e. being colloids they exhibit a large specific surface area, while they are hydrophilic and porous allowing them to swell to a great degree with water. Engineering micro/nanogels, through the rational design of various polymer compositions and/or optical structures, can enable them to respond to a myriad of stimuli, e.g. temperature, pH, biomolecules, CO2, light, and electricity. These multi-responsive micro/nanogels and their assemblies, are capable of recognizing and transducing analyte signals into changes in optical properties observable spectroscopically or via the naked eye, allowing their use as optical sensors. In this review, we have highlighted recent state-of-the-art examples of stimuli-responsive micro/nanogel-based systems for optical sensors. Graphical Abstract
摘要:微/纳米凝胶是一种独特的材料,同时具有胶体和水凝胶的特性,即作为胶体,它们具有较大的比表面积,同时具有亲水性和多孔性,使其能够在水中膨胀到很大程度。通过合理设计各种聚合物成分和/或光学结构,工程微/纳米凝胶可以使它们对无数刺激做出反应,例如温度、pH、生物分子、CO2、光和电。这些多响应微/纳米凝胶及其组件能够识别分析物信号,并将其转换为光谱或肉眼可见的光学特性变化,从而可以用作光学传感器。在这篇综述中,我们重点介绍了用于光学传感器的基于刺激响应的微/纳米凝胶系统的最新技术实例。图形摘要
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引用次数: 4
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Advances in Physics: X
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