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First-principles calculations to investigate Li segregation to Al2CuMg (001)/Al (021) interface in Al–Cu–Li–Mg alloys 通过第一性原理计算研究铝-铜-锂-镁合金中锂离子偏析到铝-铜-镁(001)/铝(021)界面的情况
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-20 DOI: 10.1140/epjb/s10051-024-00779-0
Jian-Gang Yao, Deng-Feng Yin, Ming-Chun Zhao, Yong Jiang

In Al–Cu–Li–Mg alloys, Li not only imposes the effects on the precipitation of T1, δ′, θ′, S et al., but also segregates to the S (Al2CuMg)/Al interface to stabilize the S precipitates. However, such segregation behavior could not be characterized experimentally at the atomic degree due to the low mass of Li. Also, the fine structure of S/Al interface is not yet clear. This work applied first-principles calculations to study these issues. The numerical values of surface energies for three non-stoichiometric surfaces (Al-1, Al-2, and CuMg terminations) of Al2CuMg (001) surface were calculated as ~ 1.3 J/m2 using a special method. The lowest energy of Al2CuMg (001)/Al (021) structure was obtained based on the calculation of energies and interface separated work. The segregation of Li at Al2CuMg (001)/Al (021) interface was clarified: (i) Li substituted not only one Al atom, but also all the Al atoms of the ‘3’ layer rather than the ‘1’or ‘2’ layer of the Al matrix side at the interface, (ii) Li that substituted Al atoms of the Al matrix side preferred to play on the role of Mg in Al2CuMg, trying to expand Al2CuMg bulk to maintain the interface stability, (iii) Li segregation is helpful to improve interface strength. This work provides a considerable insight for Li segregation to Al2CuMg (001)/Al (021) interface in Al–Cu–Li–Mg alloys.

Graphical Abstract

在铝-铜-锂-镁合金中,锂不仅会对 T1、δ′、θ′、S 等的析出产生影响,还会向 S(Al2CuMg)/Al 界面偏析,以稳定 S 沉淀。然而,由于锂的质量较低,这种偏析行为无法在原子程度上进行实验表征。此外,S/Al界面的精细结构也尚不清楚。这项研究应用第一原理计算来研究这些问题。通过一种特殊的方法计算出了 Al2CuMg (001) 表面的三个非化学计量表面(Al-1、Al-2 和 CuMg 端面)的表面能数值为 ~ 1.3 J/m2。根据能量和界面分离功的计算,得到了 Al2CuMg (001)/Al (021) 结构的最低能量。澄清了锂在 Al2CuMg (001)/Al (021) 界面的偏析:(i)锂不仅取代了一个铝原子,而且取代了界面上铝基体侧 "3 "层而不是 "1 "层或 "2 "层的所有铝原子;(ii)取代了铝基体侧铝原子的锂更倾向于在 Al2CuMg 中扮演镁的角色,试图扩大 Al2CuMg 体积以保持界面稳定性;(iii)锂偏析有助于提高界面强度。这项工作为 Al-Cu-Li-Mg 合金中 Al2CuMg (001)/Al (021) 界面的锂偏析提供了重要的启示。
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引用次数: 0
Charge accumulation and potential difference generation in ion adsorbing cells 离子吸附电池中的电荷积累和电位差生成
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-18 DOI: 10.1140/epjb/s10051-024-00775-4
Giovanni Barbero, Luiz R. Evangelista, Ervin K. Lenzi, Antonio M. Scarfone

We analyze charge and field equilibrium distributions in an insulating medium with ions confined by two flat adsorbing–desorbing electrodes without an external electric field. The equilibrium charge density profile of the sample is determined by considering the accumulation of mobile charges at the surface, which generates a surface electric potential. Charging dynamics are explored using a kinetic balance equation, resulting in a time-dependent net charge surface and an inhomogeneous Volterra integral equation of the second kind, and determining the surface electric potential in the half-space approximation. The results show a non-monotonic time dependence for the surface electric potential due to adsorption–desorption processes. The analysis is extended to a finite sample and reveals the presence of a maximum in the time behavior of difference of potential when only one type of ion is selectively adsorbed. The trend is instead monotonic when one electrode only adsorbs positive, and the other one adsorbs only negative ions. This approach may be used as a convenient theoretical tool for further investigation of charge accumulation on the surfaces of electrolytic cells.

摘要 我们分析了在没有外部电场的情况下,离子被两个平面吸附-解吸电极限制的绝缘介质中的电荷和电场平衡分布。样品的平衡电荷密度曲线是通过考虑移动电荷在表面的积累而确定的,移动电荷的积累会产生表面电动势。使用动力学平衡方程探索了电荷动力学,得出了随时间变化的净电荷表面和非均质 Volterra 第二类积分方程,并确定了半空间近似的表面电动势。结果表明,由于吸附-解吸过程,表面电动势具有非单调时间依赖性。分析扩展到有限样品,发现当只有一种离子被选择性吸附时,电势差的时间行为存在最大值。相反,当一个电极只吸附正离子,而另一个电极只吸附负离子时,电势差的趋势是单调的。这种方法可作为一种方便的理论工具,用于进一步研究电解槽表面的电荷积累。
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引用次数: 0
Orbital antiferromagnetic currents in a frustrated fermionic ladder 受挫费米梯中的轨道反铁磁电流
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-18 DOI: 10.1140/epjb/s10051-024-00777-2
Shota Garuchava, G. I. Japaridze, A. A. Nersesyan

We consider a spinless t-(t') ionic Hubbard chain at 1/2 filling and large hopping ratio (t'/t). In this limit, the model adequately maps onto a weakly coupled triangular ladder with a potential interchain bias. The low-energy properties of the system are formed due to the interplay of geometrical frustration, correlations and charge imbalance. We derive the effective field-theoretical model to study universal properties of the model in the scaling limit. We show that at full dynamical frustration, the ground state of the ladder represents a repulsive version of the Luther–Emery liquid with dominant orbital antiferromagnetic correlations exhibiting the slowest power law decay in the ground state. Pairing correlations also display algebraic order but are subdominant. At an incomplete dynamical frustration, a finite commensurability gap is dynamically generated, and the fluctuating OAF transforms to a long-range ordered state with a spontaneously broken time-reversal symmetry. The mass gap in the spectrum of relative density fluctuations gets suppressed upon increasing the potential bias.

Abstract We consider a spinless t-(t') ionic Hubbard chain at 1/2 filling and large hopping ratio (t'/t)。在此极限下,模型充分映射到一个具有潜在链间偏置的弱耦合三角梯上。该系统的低能特性是由于几何挫折、相关性和电荷不平衡的相互作用而形成的。我们推导了有效场论模型,以研究该模型在缩放极限下的普遍特性。我们的研究表明,在完全动力学沮度下,阶梯的基态代表了卢瑟-埃默里液体的排斥版本,其主导轨道反铁磁相关性在基态中表现出最慢的幂律衰减。配对相关性也显示出代数阶,但处于次主导地位。在不完全动力学沮度下,会动态地产生一个有限的可比性间隙,波动的 OAF 会转变为一个具有自发破坏的时间反向对称性的长程有序态。相对密度波动谱中的质量间隙在增加势偏压时得到抑制。
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引用次数: 0
Stimulus-dependent spiking and bursting behavior in memsensor circuits: experiment and wave digital modeling 记忆传感器电路中与刺激相关的尖峰和猝发行为:实验和波浪数字建模
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-17 DOI: 10.1140/epjb/s10051-024-00770-9
Sebastian Jenderny, Rohit Gupta, Roshani Madurawala, Thomas Strunskus, Franz Faupel, Sören Kaps, Rainer Adelung, Karlheinz Ochs, Alexander Vahl

Biological information processing pathways in neuron assemblies rely on spike activity, encoding information in the time domain, and operating the highly parallel network at an outstanding robustness and efficiency. One particularly important aspect is the distributed, local pre-processing effectively converting stimulus-induced signals to action potentials, temporally encoding analog information. The field of brain-inspired electronics strives to adapt concepts of information processing in neural networks, e.g., stimulus detection and processing being intertwined. As such, stimulus-modulated resistive switching in memristive devices attracts an increasing attention. This work reports on a three-component memsensor circuit, featuring a UV-sensor, a memristive device with diffusive switching characteristics and a capacitor. Upon application of a DC bias, complex, stimulus-dependent spiking and brain-inspired bursting can be observed, as experimentally showcased using combination of a microstructured, tetrapodal ZnO sensor and a Au/SiOxNy/Ag cross-point memristive device. The experimental findings are corroborated by a wave digital model, which successfully replicates both types of behavior and outlines the relation of temporal variation of switching thresholds to the occurrence of bursting activity.

摘要 神经元集合体中的生物信息处理途径依赖于尖峰活动,在时域中编码信息,并以出色的鲁棒性和效率运行高度并行的网络。其中一个特别重要的方面是分布式局部预处理,它能有效地将刺激诱导信号转换为动作电位,在时间上编码模拟信息。脑启发电子学领域致力于调整神经网络中的信息处理概念,如刺激检测和处理相互交织。因此,记忆器件中的刺激调制电阻开关吸引了越来越多的关注。本研究报告介绍了一种由三部分组成的忆阻器电路,包括一个紫外线传感器、一个具有扩散开关特性的忆阻器器件和一个电容器。在应用直流偏压时,可以观察到复杂的、依赖于刺激的尖峰脉冲和受大脑启发的迸发,这是用一个微结构的四极氧化锌传感器和一个金/硅氧化镍/银交叉点忆阻器组合进行的实验展示。实验结果得到了波数字模型的证实,该模型成功地复制了这两种行为,并概述了开关阈值的时间变化与猝发活动发生的关系。
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引用次数: 0
Analysis of socioeconomic indicators in the United States, Brazil, and other Latin American countries using econophysics techniques 利用经济物理学技术分析美国、巴西和其他拉丁美洲国家的社会经济指标
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-10 DOI: 10.1140/epjb/s10051-024-00766-5
Leonardo C. Rossato, José Roberto Iglesias, Sebastian Gonçalves

In addressing the complexity inherent in comparing socioeconomic indicators across diverse countries, a substantial barrier arises from the wide array of distinct calculation approaches. Consequently, a highly pertinent question emerges: how does one compare values when the underlying calculation methodologies are diverse? In this context, we propose a multidisciplinary and heterogeneous approach, employing numerical and visual comparisons to analyze socioeconomic indicators of municipalities in the US, Brazil and other Latin American countries. We identify independent-scale patterns in three stages: initially, by compiling a database sourced from respected institutions in each country and identifying correlations within this dataset; next, by creating graphical representations using a binning methodology for scatter plots of the identified patterns; finally, by transforming the dispersions from the initial stage into graphs using a variant of the Gravitational Clustering Algorithm technique from astrophysics. We find significant relationships, specifically in the logarithmic relationship between Municipal HDI and population size. In some countries, global minima were identified, suggesting the existence of a critical population density at which municipalities above this threshold exhibit a positive and significant correlation with an increase in their HDI.

摘要 在处理比较不同国家社会经济指标的内在复杂性时,大量不同的计算方法造成了巨大的障碍。因此,出现了一个非常相关的问题:当基本计算方法各不相同时,如何比较数值?在这种情况下,我们提出了一种多学科的异质方法,利用数字和视觉比较来分析美国、巴西和其他拉美国家城市的社会经济指标。我们分三个阶段确定独立规模的模式:首先,从各国权威机构获取数据,汇编数据库,并确定该数据集中的相关性;其次,使用二进制方法创建图形表示法,对确定的模式绘制散点图;最后,使用天体物理学中的引力聚类算法变体技术,将初始阶段的散点图转化为图形。我们发现了重要的关系,特别是城市人类发展指数与人口规模之间的对数关系。在一些国家,我们发现了全球最小值,这表明存在一个临界人口密度,在这个临界值之上的城市,其人类发展指数的提高与人口密度呈显著正相关。
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引用次数: 0
Spin photo-currents in antiferromagnets with Dzyaloshinskii–Moriya interactions 具有 Dzyaloshinskii-Moriya 相互作用的反铁磁体中的自旋光电流
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-10 DOI: 10.1140/epjb/s10051-024-00772-7
Yonghong Yan, Hui Zhao

We theoretically investigate spin photo-currents in two types of antiferromagnetic insulators with Dzyaloshinskii–Moriya (DM) interactions: one with staggered DM interactions and the other with uniform DM interactions. The magnon spectrum for each system thus becomes asymmetric with respect to the propagation direction of magnons, which may be utilized to enhance the nonlinear spin conductivity. Indeed, we show that the spin conductivity in each system could be up to the order of 10 nJ/((textrm{cm}^2cdot textrm{T}^2)) when the system is coupled to an AC magnetic field transverse to the ordered spins. Due to the special magnon dispersion, however, an extra static field is required to achieve a high conductivity in the system with staggered DM interactions. The results could be useful in opto-spintronics based on magnetic excitations.

摘要 我们从理论上研究了两种具有Dzyaloshinski-Moriya(DM)相互作用的反铁磁绝缘体中的自旋光电流:一种具有交错的DM相互作用,另一种具有均匀的DM相互作用。因此,每个系统的磁子谱在磁子的传播方向上变得不对称,这可以用来增强非线性自旋传导性。事实上,我们的研究表明,当系统与横向于有序自旋的交流磁场耦合时,每个系统的自旋电导率可以达到10 nJ/((textrm{cm}^2cdot textrm{T}^2))的量级。然而,由于特殊的磁子色散,需要额外的静态磁场才能在具有交错 DM 相互作用的系统中实现高电导率。这些结果可能有助于基于磁激发的光自旋电子学。
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引用次数: 0
Effect of spin quantum force on lower and upper hybrid waves’ instability under the influence of an electron beam in a magnetized semiconductor plasma 自旋量子力对磁化半导体等离子体中电子束影响下的上下混合波不稳定性的影响
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-09 DOI: 10.1140/epjb/s10051-024-00768-3
Krishna Sharma, Utpal Deka

The influence of the spin quantum forces along with other quantum parameters, including the Bohmian force, spin quantum force, exchange–correlation potential, and quantum statistical pressure of the quantized degenerate species were considered to examine the excitation of comparatively low frequency electrostatic lower hybrid waves (LHWs) and upper hybrid waves (UHWs) driven by an electron beam in a magnetized semiconductor plasma. The investigation is done using the quantum hydrodynamic framework. The influence of the spin quantum force, electron beam temperature, beam streaming speed, and propagation angle on the growth and phase speed of LHWs and UHWs have been analysed. Each of the parameters affects the instability, the growth rate, and the resonant values. One of the notable outcomes is the effect of temperature on the instability. The resonance value of the maximal growth rate is affected due to the different parameters. The inclusion of the spin quantum force shifts the growth rate in both LHWs and UHWs.

Graphical abstract

在研究磁化半导体等离子体中电子束驱动的相对低频静电下混合波(LHWs)和上混合波(UHWs)的激发时,考虑了自旋量子力和其他量子参数的影响,包括玻尔曼力、自旋量子力、交换相关势和量子化退化物种的量子统计压力。研究采用了量子流体力学框架。分析了自旋量子力、电子束温度、束流速度和传播角度对 LHWs 和 UHWs 的增长和相速的影响。每个参数都会影响不稳定性、生长速度和谐振值。其中一个显著的结果是温度对不稳定性的影响。最大增长率的共振值会受到不同参数的影响。自旋量子力的加入改变了 LHW 和 UHW 的增长率。
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引用次数: 0
Stretched-exponential melting of a dynamically frozen state under imprinted phase noise in the ising chain in a transverse field 横向场中等化链的印记相位噪声下动态冻结态的拉伸-指数熔化
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-09 DOI: 10.1140/epjb/s10051-024-00776-3
Krishanu Roychowdhury, Arnab Das

The concept of dynamical freezing is a phenomenon where a suitable set of local observables freezes under a strong periodic drive in a quantum many-body system. This happens because of the emergence of approximate but perpetual conservation laws when the drive is strong enough. In this work, we probe the resilience of dynamical freezing to random perturbations added to the relative phases between the interfering states (elements of a natural basis) in the time-evolving wave function after each drive cycle. We study this in an integrable Ising chain in a time-periodic transverse field. Our key finding is, that the imprinted phase noise melts the dynamically frozen state, but the decay is “slow”: a stretched-exponential decay rather than an exponential one. Stretched-exponential decays (also known as Kohlrausch relaxation) are usually expected in complex systems with time-scale hierarchies due to strong disorders or other inhomogeneities resulting in jamming, glassiness, or localization. Here we observe this in a simple translationally invariant system dynamically frozen under a periodic drive. Moreover, the melting here does not obliterate the entire memory of the initial state but leaves behind a steady remnant that depends on the initial conditions. This underscores the stability of dynamically frozen states.

摘要 动态冻结的概念是指在量子多体系统中,一组合适的局部观测值在强周期驱动下冻结的现象。这是因为当驱动力足够强时,会出现近似但永久的守恒定律。在这项研究中,我们探究了动态冻结对随机扰动的适应性,这些随机扰动被添加到每个驱动周期后时间演化波函数中干涉态(自然基的元素)之间的相对相位上。我们在时间周期横向场中的可积分伊辛链中研究了这一问题。我们的主要发现是,印记相位噪声融化了动态冻结态,但衰变 "缓慢":是拉伸指数衰变,而不是指数衰变。拉伸指数衰减(也称为科劳施弛豫)通常出现在具有时间尺度层次结构的复杂系统中,这是由于强烈的紊乱或其他不均匀性导致了干扰、玻璃化或局部化。在这里,我们在一个周期性驱动下动态冻结的简单平移不变系统中观察到了这种情况。此外,这里的熔化并没有抹去初始状态的全部记忆,而是留下了取决于初始条件的稳定残余。这强调了动态冻结状态的稳定性。
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引用次数: 0
Sc- and Ti-doped silicon carbide nanotubes for NH3 sensing and storage applications: a DFT approach 用于 NH3 传感和存储的 Sc 和 Ti- 掺杂碳化硅纳米管:一种 DFT 方法
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-05 DOI: 10.1140/epjb/s10051-024-00763-8
Banchob Wanno, Thanawat Somtua, Anucha Naowanit, Narin Panya, Wandee Rakrai, Chatthai Kaewtong, Chanukorn Tabtimsai

Ammonia (NH3) is highly hazardous gases, thus the investigation for a highly sensitive sensor of NH3 molecule is desirable. The adsorptions of NH3 molecule on Sc and Ti atoms doped silicon carbide nanotube (SiCNT) were investigated by using density functional theory calculation. The adsorption energies, adsorption distances, energy gaps, chemical hardness and softness, orbital distributions, charge transfers and density of states were examined. The calculated results display that NH3 molecules can be adsorbed on the pristine SiCNT via a weak physical interaction, which is much weaker than those of NH3 adsorption on Sc and Ti-doped SiCNTs. All of Sc and Ti-doped SiCNTs can absorb single and multiple NH3 molecules with the greatest adsorption energy of − 41.56 kcal/mol for NH3/TiSi–SiCNT system. In addition, there are shorter adsorption distance and larger charge transfer for Sc- and Ti-doped SiCNTs than that of pristine SiCNT with NH3 molecule. The orbital distributions are occurred around the doping site may be due to the strong interaction between NH3 and SiCNT. The energy gaps of Sc- and Ti-doped SiCNTs have much more significant change than that of pristine SiCNT in which 2NH3/TiC–SiCNT show the largest change of energy gap about 22% compared with bare TiC–SiCNT. The density of states of Sc- and Ti-doped SiCNTs show significant shift than that of pristine SiCNT which the new impurity states near the − 2.5 eV is occurred. The chemical hardness and softness illustrate the enhancement stability and decreased the reactivity. A short recovery times and suitable desorption temperatures are observed for the NH3 desorption on Sc- and Ti-doped SiCNT surface. Therefore, sensitivity to NH3 molecule of Sc- and Ti-doped SiCNTs is a promising candidate for highly sensitive gas sensing and storage nanomaterials.

Graphical abstract

氨气(NH3)是一种高度危险的气体,因此需要研究一种高灵敏度的 NH3 分子传感器。利用密度泛函理论计算研究了掺杂 Sc 原子和 Ti 原子的碳化硅纳米管(SiCNT)对 NH3 分子的吸附。研究了吸附能、吸附距离、能隙、化学软硬度、轨道分布、电荷转移和状态密度。计算结果表明,NH3 分子可以通过微弱的物理相互作用吸附在原始 SiCNT 上,这种吸附作用比 NH3 在 Sc 和掺 Ti- 的 SiCNT 上的吸附作用要弱得多。所有 Sc 和掺 Ti 的 SiCNT 都能吸附单个和多个 NH3 分子,其中 NH3/TiSi-SiCNT 系统的吸附能最大,为 - 41.56 kcal/mol。此外,与原始 SiCNT 相比,Sc 和 Ti 掺杂的 SiCNT 对 NH3 分子的吸附距离更短,电荷转移更大。在掺杂位点周围出现的轨道分布可能是由于 NH3 与 SiCNT 之间的强相互作用。与原始 SiCNT 相比,掺入 Sc 和 Ti- 的 SiCNT 的能隙变化更为显著,其中 2NH3/TiC-SiCNT 与裸 TiC-SiCNT 相比,能隙变化最大,约为 22%。掺杂 Sc 和 Ti- 的 SiCNT 的态密度比原始 SiCNT 的态密度有显著变化,在 - 2.5 eV 附近出现了新的杂质态。化学硬度和软度说明稳定性增强,反应活性降低。在 Sc 和 Ti- 掺杂的 SiCNT 表面上,NH3 的解吸恢复时间很短,解吸温度也很合适。因此,掺Sc和钛的SiCNT对NH3分子的敏感性有望成为高灵敏气体传感和存储纳米材料的候选材料。
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引用次数: 0
Influence of barrier discharge plasma on thermophysical, dielectric, conductivity and photoluminescence properties of low-density polyethylene doped with CaGa2S4:Eu2+ 阻挡放电等离子体对掺杂 CaGa2S4:Eu2+ 的低密度聚乙烯的热物理特性、介电特性、导电特性和光致发光特性的影响
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-09-05 DOI: 10.1140/epjb/s10051-024-00774-5
T. D. Ibragimov, O. B. Tagiyev, E. G. Asadov, I. S. Ramazanova

The effect of barrier discharge plasma on the thermophysical, dielectric, conductivity and photoluminescent properties of CaGa2S4:Eu2+doped low-density polyethylene have been investigated. It is shown that the enthalpy and entropy of melting and solidification decrease sharply with the inclusion of filler (3 vol%) and then increase with increasing filler concentration. At the same time, these physical quantities increases in all cases after exposure to the gas discharge. This increase is negligible for pure polyethylene, but significant for composites. With increasing filler concentration, the dielectric permittivity increases and agrees well with the Maxwell–Garnett theory. It is shown that the conductivity has a hopping character and mainly increases with increasing filler concentration. Dielectric permittivity increases and conductivity as well as photoluminescence decrease after the action of gas discharge.

Graphical abstract

研究了阻挡放电等离子体对掺杂 CaGa2S4:Eu2+ 的低密度聚乙烯的热物理性能、介电性能、电导率和光致发光性能的影响。结果表明,熔化焓和凝固熵随着填料的加入(3 Vol%)而急剧下降,然后随着填料浓度的增加而升高。同时,在所有情况下,这些物理量在暴露于气体放电后都会增加。对于纯聚乙烯来说,这种增加可以忽略不计,但对于复合材料来说则非常明显。随着填料浓度的增加,介电常数也会增加,这与 Maxwell-Garnett 理论十分吻合。研究表明,电导率具有跳跃特性,主要随着填料浓度的增加而增加。气体放电后,介电常数增加,电导率和光致发光降低。
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引用次数: 0
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The European Physical Journal B
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