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The effect of O2 pressure on phase formation and superconductivity properties of Tl-based HTS 氧气压力对钛基 HTS 的相形成和超导特性的影响
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2024-01-11 DOI: 10.1063/10.0023889
D. L. Surmanidze, T. E. Lobzhanidze, I. R. Metskhvarishvili, G. N. Dgebuadze, V. M. Gabunia, B. G. Bendeliani, M. R. Metskhvarishvili, D. A. Jishiashvili
Thallium-based high-temperature superconductors exhibit excellent superconductivity performance (Tc, Jc). Formation of the Tl-based superconducting materials critically depends on the used precursor and synthesis conditions. In the present investigation, we used the in situ polymerization method for synthesizing high-purity and reaction-ability precursors. We find the critical dependence of Tl-based superconductor phase formation on the quantity of applied oxygen pressure. The experimental results showed that the Tl-1223 phase formed at an oxygen gas pressure at 1 to 2 atm, Tl-2223 phase at 3 atm, and Tl-2212 phase at 4 to 8 atm.
铊基高温超导体具有卓越的超导性能(Tc、Jc)。铊基超导材料的形成关键取决于所使用的前驱体和合成条件。在本研究中,我们采用原位聚合法合成了高纯度、反应性好的前驱体。我们发现钛基超导体相的形成与外加氧压的大小有临界关系。实验结果表明,在氧气压力为 1 至 2 个大气压时形成 Tl-1223 相,在 3 个大气压时形成 Tl-2223 相,在 4 至 8 个大气压时形成 Tl-2212 相。
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引用次数: 0
Numerical modeling of metal-dielectric metasurface as an element of microwave sensors for biomedical applications 作为生物医学应用微波传感器元件的金属介电元表面的数值建模
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2024-01-11 DOI: 10.1063/10.0023885
K. S. Kuznetsova, V. A. Pashynska, Z. E. Eremenko
This paper reports the results of numerical modeling of wave reflection coefficient behavior of the metal-dielectric metasurface at microwaves that can be used for biomedical applications. The study includes optimization of the working parameters of the metasurface-based structure as a sensitive element of a microwave sensoring systems for determination of proteins concentration in different solutions. In the current research a unit with the geometry, which is similar to the geometry of one well of the standard 96-multiwell laboratory microplate, is used as a resonant metasurface unit cell and liquid-holding structure. Human serum albumin (HSA) is used as a protein specimen in our model study. The present numerical modeling is based on the results of our previous experimental measurements of complex permittivity values of HSA water solutions and its biochemical reaction mixtures using microwave dielectrometry method and the developed setup. The unit cell approach calculations are performed by COMSOL Multiphysics software. The optimization of working parameters of the metal-dielectric metasurface structure with tested solutions allow us to observe the resonance effects of the wave reflection coefficient in the microwave range. We can determine the HSA concentration changes in water solutions and enzymatic reaction mixtures by the resonance frequency shift of the wave reflection coefficient of the metal-dielectric metasurface. Developed metal-dielectric metasurface-based structure demonstrates prospects to be used as a sensitive element of microwave sensors for proteins concentration determination with biomedical purposes.
本文报告了可用于生物医学应用的金属电介质元表面在微波下的波反射系数行为的数值建模结果。研究包括优化基于元表面结构的工作参数,将其作为微波传感系统的敏感元件,用于测定不同溶液中的蛋白质浓度。在目前的研究中,一个几何形状与标准 96 多孔实验室微孔板一个孔的几何形状相似的单元被用作谐振元表面单元单元和液体容纳结构。在模型研究中,人血清白蛋白(HSA)被用作蛋白质试样。本数值建模基于我们之前使用微波介电测量法和所开发的装置对 HSA 水溶液及其生化反应混合物的复介电常数值的实验测量结果。单元单元法计算由 COMSOL Multiphysics 软件完成。利用测试溶液对金属介电元表面结构的工作参数进行优化后,我们可以观察到微波范围内波反射系数的共振效应。我们可以通过金属介电元表面波反射系数的共振频率偏移来确定水溶液和酶反应混合物中 HSA 浓度的变化。所开发的基于金属-介电元表面的结构表明,它有望用作微波传感器的敏感元件,用于生物医学目的的蛋白质浓度测定。
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引用次数: 0
Involvement of cationic sublattices in multiple polarization states in CuInP2S6 ferrielectrics 阳离子亚晶格参与 CuInP2S6 铁电体的多重极化态
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2024-01-11 DOI: 10.1063/10.0023895
R. Yevych, V. Liubachko, Yu. Vysochanskii
The contribution of copper and indium cationic sublattices on polarization hysteresis loops in CuInP2S6 van der Waals ferrielectrics has been studied within the quantum anharmonic oscillator model that considers the ordering dynamics of Cu+ cations in the double-well local potential and displacive dynamics of In3+ cations in the three-well shaped potential. The multiple polarization states are manifested as single, double, and triple P(E) hysteresis loops. The triple loops originate from a field-induced ferrielectric to ferroelectric phase transition within a certain range of the phase diagram with continuous increase in the spontaneous polarization below the second-order transition from the paraelectric phase to the ferrielectric state.
我们在量子非谐振子模型中研究了铜和铟阳离子亚晶格对 CuInP2S6 范德华铁电体中极化磁滞回线的影响,该模型考虑了 Cu+ 阳离子在双阱局部电势中的有序动力学和 In3+ 阳离子在三阱形电势中的位移动力学。多重极化状态表现为单、双和三重 P(E) 滞后环。三重磁滞回线源于在相图的一定范围内由磁场诱导的铁电到铁电的相变,自发极化在从准电态到铁电态的二阶转变以下持续增加。
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引用次数: 0
Superradiance and solids: Reduced description method 超辐射与固体还原描述法
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2024-01-11 DOI: 10.1063/10.0023899
S. Lyagushyn, A. Sokolovsky
Spontaneous ordering in a system of excited emitters with a powerful short radiation pulse predicted by Dicke attracted the great attention of scientists for decades as a bright example of the nontrivial behavior of a nonequilibrium system. The Bogolyubov reduced description method has some advantages and provides new possibilities in the theoretical investigation of the Dicke process. The paper presents the authors’ results of modeling such processes concerning both optical ones in the presence of crystal lattice influence and acoustic superradiance, which is possible in solids. The right choice of reduced description parameters allows the account of atom motions (phonons), cavity influence, and excitations in the emitter system (excitons) in the electromagnetic radiation process. The mathematical analogy between the Dicke system and a spin system in a magnetic field opens the way to applying the reduced description technique to acoustic phenomena previously investigated with the boson variable elimination method. Such a new approach to superradiance in crystals with paramagnetic impurities and with competing mechanisms of relaxation (Wagner model) is outlined. Acoustic superradiance is discussed in connection with the problem of structural phase transitions.
数十年来,迪克预言的激发发射体系统在强大的短辐射脉冲作用下的自发有序现象一直吸引着科学家们的极大关注,因为它是非平衡系统非微观行为的一个鲜明例子。博格柳波夫还原描述方法具有一些优势,为 Dicke 过程的理论研究提供了新的可能性。论文介绍了作者对此类过程的建模结果,包括存在晶格影响的光学过程和在固体中可能出现的声学超辐射过程。通过正确选择简化描述参数,可以解释电磁辐射过程中的原子运动(声子)、空腔影响和发射系统中的激发(激子)。迪斯克系统与磁场中的自旋系统之间的数学类比为将简化描述技术应用于之前用玻色子变量消除法研究的声学现象开辟了道路。本文概述了在具有顺磁杂质和竞争弛豫机制(瓦格纳模型)的晶体中研究超辐射的新方法。结合结构相变问题讨论了声超辐射。
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引用次数: 0
Model study of the protein-ligand binding in the development of hypersensitivity to folic acid and its analogs 叶酸及其类似物过敏症发生过程中蛋白质与配体结合的模型研究
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2024-01-11 DOI: 10.1063/10.0023884
N. V. Khmil, V. G. Kolesnikov
Folic acid (FA) plays a vital role in various metabolic processes, including synthesis and repair of DNA, cell division, the production of red blood cells, and fetal development. However, hypersensitivity to FA and its analogs can occur, leading to various symptomatic manifestations, including shortness of breath, skin rashes, itching, hives, swelling, gastrointestinal disturbances, tachycardia, and anaphylaxis. The mechanism of hypersensitivity to FA and its analogs is not well understood. However, it is known that human serum albumin (HSA) serves as a major pharmacokinetic effector for many substances and drugs, including FA and its analogs such as 5-methyltetrahydrofolic acid (5-MTHF), tetrahydrofolic acid (THFA), and methotrexate (MTX). HSA can interact with these compounds, affecting their distribution and metabolism. The study aimed to study the energetic and topological characteristics of the non-covalent complexes formed between HSA and FA and its analogs in order to obtain more complete information about the potential mechanisms involved in hypersensitivity reactions. Molecular docking was applied to search for the most energetically favorable conformations of the protein-ligand complexes and score the geometries based on their lowest binding energy. The 3D structure of HSA (PDB ID: 1AO6) was used as the docking target, which was obtained from the protein database. The structures of the ligands (FA, 5-MTHF, THFA, and MTX) were downloaded from PubChem, an open chemistry database at the National Institutes of Health. The surface area, volume, and depth of the binding pocket were determined using Proteins Plus. The identification of non-covalent interactions between HSA and the ligands was carried out using the PoseView and DoGSiteScorer web tools. It has been demonstrated that hydrophobic interactions and hydrogen bonds predominantly stabilize all the studied HSA-ligand complexes. Molecular docking analysis revealed that HSA binds the ligands within subdomains IB, IIA, and IIIA, with a binding energy of less than –10.0 kcal/mol. Identifying specific binding sites within the new antigen structures (the complex of HSA with the ligands) can be valuable in determining the energetically favorable binding of epitopes from these antigens to the active sites of IgE antibodies or immune cell receptors.
叶酸(FA)在各种新陈代谢过程中发挥着重要作用,包括 DNA 的合成和修复、细胞分裂、红细胞的生成和胎儿发育。然而,对叶酸及其类似物过敏会导致各种症状表现,包括呼吸急促、皮疹、瘙痒、荨麻疹、肿胀、胃肠功能紊乱、心动过速和过敏性休克。对 FA 及其类似物过敏的机制尚不十分清楚。不过,众所周知,人血清白蛋白(HSA)是许多物质和药物的主要药代动力学效应器,其中包括 FA 及其类似物,如 5-甲基四氢叶酸(5-MTHF)、四氢叶酸(THFA)和甲氨蝶呤(MTX)。HSA 可与这些化合物相互作用,影响它们的分布和代谢。本研究旨在研究 HSA 与四氢叶酸及其类似物之间形成的非共价复合物的能量和拓扑特征,以便更全面地了解超敏反应的潜在机制。分子对接法用于寻找蛋白质-配体复合物中能量最有利的构象,并根据其最低结合能对几何结构进行评分。HSA 的三维结构(PDB ID:1AO6)是从蛋白质数据库中获取的,被用作对接目标。配体(FA、5-MTHF、THFA 和 MTX)的结构是从美国国立卫生研究院的开放式化学数据库 PubChem 中下载的。使用 Proteins Plus 测定了结合口袋的表面积、体积和深度。使用 PoseView 和 DoGSiteScorer 网络工具鉴定了 HSA 与配体之间的非共价相互作用。结果表明,疏水相互作用和氢键主要稳定了所有研究的 HSA 配体复合物。分子对接分析表明,HSA 与亚域 IB、IIA 和 IIIA 中的配体结合,结合能小于 -10.0 kcal/mol。确定新抗原结构(HSA 与配体的复合物)中的特定结合位点对确定这些抗原的表位与 IgE 抗体或免疫细胞受体的活性位点的能量结合非常有价值。
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引用次数: 0
New emission band of solid nitrogen 固态氮的新发射波段
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2024-01-01 DOI: 10.1063/10.0023897
E. Savchenko, I. Khyzhniy, S. Uyutnov, M. Bludov
New results on the study of radiation effects in solid nitrogen and N2-doped Ne matrix are presented, with a focus on the so-called γ-line origin. The irradiation was carried out in dc regime with an electron beam of subthreshold energy. The relaxation dynamics was monitored by emission spectroscopy: cathodoluminescence (CL) and nonstationary luminescence (NsL), along with current activation spectroscopy. Thermally stimulated luminescence (TSL) and exoelectron emission (TSEE) of pure nitrogen and N2 in the Ne matrix were measured in a correlated manner. Three emission bands were recorded in the NIR CL spectra of solid N2: 794, 802, and 810 nm. The band at 810 nm was detected for the first time. These three bands are characterized by similar behavior and form molecular series with spacing between adjacent vibrational energy levels of the ground state of 125 and 123 cm−1. These data cast doubt on the recently made assumption that the γ-line is attributed to the emission of the nitrogen anion N− [R. E. Boltnev, I. B. Bykhalo, I. N. Krushinskaya et al. Phys. Chem. Chem. Phys. 18, 16013 (2016)]. The processes of electron attachment and neutralization of positively charged species are discussed. It has been established that the γ-line in the TSL spectra of pure nitrogen and N2-doped Ne matrix correlates with TSEE currents and recombination emission of O+, N2+, and N4+ ions, which indicates its connection with the neutralization reaction. The measurement of NsL supported this conclusion. A new possible assignment of the γ-line and its satellites to the emission of tetranitrogen N4 is discussed.
本文介绍了固体氮和掺杂 N2 的 Ne 基体中辐射效应研究的新成果,重点是所谓的 γ 线起源。辐照是在直流状态下用阈下能量的电子束进行的。通过发射光谱监测弛豫动态:阴极发光(CL)和非稳态发光(NsL)以及电流活化光谱。以相关方式测量了纯氮和 Ne 基质中 N2 的热激发发光 (TSL) 和外电子发射 (TSEE)。在固体 N2 的近红外 CL 光谱中记录到三个发射带:794、802 和 810 纳米。810 纳米波段是首次检测到。这三个波段具有相似的行为特征,并形成分子系列,基态相邻振动能级之间的间隔为 125 和 123 cm-1。这些数据使人们对最近提出的关于 γ 线是氮阴离子 N- 发射的假设产生了怀疑 [R. E. Boltnev, I. R. Boltnev, I. R. Boltnev, I. R. Boltnev, I. R. R.E. Boltnev, I. B. Bykhalo, I. N. Krushinskaya et al.Chem.18, 16013 (2016)]。讨论了正电荷物种的电子附着和中和过程。研究发现,纯氮和掺杂 N2 的 Ne 基质 TSL 光谱中的γ 线与 O+、N2+ 和 N4+ 离子的 TSEE 电流和重组发射相关,这表明它与中和反应有关。对 NsL 的测量也支持这一结论。讨论了 γ 线及其卫星线对四氮 N4 发射的新的可能归属。
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引用次数: 0
The effect of biologically active substances on BSA and on the textures of films obtained by drying water-salt solutions of BSA 生物活性物质对 BSA 以及对通过干燥 BSA 水盐溶液获得的薄膜质地的影响
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2024-01-01 DOI: 10.1063/10.0023892
O. A. Gorobchenko, D. Glibitskiy, O. T. Nikolov, T. A. Cheipesh, T. Dzhimieva, I. Zaitseva, A. D. Roshal, M. A. Semenov, G. Glibitskiy
In the previously published results, we studied the effect of flavin mononucleotide (FMN), sodium halides NaF and NaBr, iron chloride FeCl3 and aluminum chloride AlCl3 on zigzag patterns of films obtained from saline solutions of bovine serum albumin (BSA). Changes in the properties of the biopolymer and its aqueous environment in solutions were monitored by UV absorption and fluorescence spectroscopy, microwave dielectrometry and dynamic light scattering. This work summarizes the obtained results on the influence of components of various nature on BSA and its film textures. Changes in the parameters of zigzag patterns are associated with polydispersity due to the presence of colloidal particles, aggregates and FMN associates, as well as a decrease in the surface potential and BSA hydration. The possibility of predicting the character of the influence of the studied biologically active substances on BSA is analyzed.
在之前发表的成果中,我们研究了黄素单核苷酸(FMN)、卤化钠 NaF 和 NaBr、氯化铁 FeCl3 和氯化铝 AlCl3 对从牛血清白蛋白(BSA)的生理盐水溶液中获得的薄膜之字形图案的影响。通过紫外吸收和荧光光谱、微波介电测量和动态光散射监测了溶液中生物聚合物及其水环境的性质变化。本研究总结了各种性质的成分对 BSA 及其薄膜质地的影响。人字形图案参数的变化与胶体颗粒、聚集体和 FMN 结合体存在导致的多分散性以及表面电位和 BSA 水合作用的降低有关。分析了预测所研究的生物活性物质对 BSA 的影响特性的可能性。
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引用次数: 0
Selective uptake and desorption of carbon dioxide in carbon honeycombs of different sizes 不同大小的碳蜂窝对二氧化碳的选择性吸收和解吸
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2024-01-01 DOI: 10.1063/10.0023898
N. Krainyukova, D. G. Diachenko, E. A. Kotomin
Carbon honeycombs (CHs) are new carbon cellular structures, very promising in many respects, in particular, for high-capacity storage of various materials, especially in gaseous and liquid forms. In this study, we report a strong uptake of carbon dioxide kept inside carbon honeycomb matrices up to temperatures about three times higher as compared with CO2 desorption at ≈ 90 K from flat solid surfaces in vacuum where we conduct our high-energy electron diffraction experiments. Desorption of CO2 from CH matrices upon heating exhibits non-monotone behavior, which is ascribed to carbon dioxide release from CH channels of different sizes. It is shown that modeling of CO2 uptake, storage, and redistribution in the thin CH channels of certain types and orientations upon heating can explain experimental observations.
碳蜂窝(CHs)是一种新型的碳蜂窝结构,在许多方面都很有前景,特别是在高容量存储各种材料,尤其是气态和液态材料方面。在这项研究中,我们报告了保存在碳蜂窝基质中的二氧化碳的强烈吸收,其温度比我们进行高能电子衍射实验的真空中平面固体表面在≈ 90 K时的二氧化碳解吸温度高出约三倍。加热时二氧化碳从 CH 基质中的解吸表现出非单调行为,这是因为二氧化碳从不同大小的 CH 通道中释放出来。实验表明,在特定类型和取向的 CH 薄通道中,二氧化碳在加热时的吸收、储存和再分布模型可以解释实验观察结果。
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引用次数: 0
Near-field heat transfer between disordered conductors 无序导体之间的近场传热
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2023-12-13 DOI: 10.1063/10.0022365
Alex Kamenev
Heat transfer mediated by near-field fluctuations of the electromagnetic field was studied. In the case of metals, the latter are dominated by Coulomb interactions between thermal fluctuations of electronic density. It was shown that an elastic scattering of electrons, leading to a diffusive propagation of density fluctuations, results in a qualitative change of the radiation law. While the heat flux between clean metals follows the Stefan–Boltzmann-like T4 dependence, the heat exchange between disordered conductors is significantly enhanced and scales as T3 at low temperatures.
研究了电磁场近场波动对传热的影响。在金属的情况下,后者主要是由电子密度的热波动之间的库仑相互作用。结果表明,电子的弹性散射导致密度波动的扩散传播,从而导致辐射定律的质变。清洁金属之间的热流密度遵循类似斯蒂芬-玻尔兹曼的T4依赖关系,而无序导体之间的热交换明显增强,并在低温下尺度为T3。
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引用次数: 0
On non-local electrical transport in anisotropic metals 各向异性金属中的非局部电输运
IF 0.8 4区 物理与天体物理 Q4 PHYSICS, APPLIED Pub Date : 2023-12-13 DOI: 10.1063/10.0022360
Graham Baker, Davide Valentinis, Andrew P. Mackenzie
We discuss various aspects of nonlocal electrical transport in anisotropic metals. For a metal with circular Fermi surface, the scattering rates entering the local conductivity and viscosity tensors are well-defined, corresponding to eigenfrequencies of the linearized collision operator. For anisotropic metals, we provide generalized formulas for these scattering rates and use a variational approximation to show how they relate to microscopic transition probabilities. We develop a simple model of a collision operator for a metal of arbitrary Fermi surface with finite number of quasi-conserved quantities, and derive expressions for the wavevector-dependent conductivity σ(q) and the spatially-varying conductivity σ(x) for a long, narrow channel. We apply this to the case of different rates for momentum-conserving and momentum-relaxing scattering, deriving closed-form expressions for σ(q) and σ(x) — beyond generalizing from circular to arbitrary Fermi surface geometry, this represents an improvement over existing methods which solve the relevant differential equation numerically rather than in closed form. For the specific case of a diamond Fermi surface, we show that, if transport signatures were interpreted via a model for a circular Fermi surface, the diagnosis of the underlying transport regime would differ based on experimental orientation and based on whether σ(q) or σ(x) was considered. Finally, we discuss the bulk conductivity. While the common lore is that “momentum”-conserving scattering does not affect bulk resistivity, we show that crystal momentum-conserving scattering — such as normal electron-electron scattering — can affect the bulk resistivity for an anisotropic Fermi surface. We derive a simple formula for this contribution.
我们讨论了各向异性金属中非局域电输运的各个方面。对于具有圆形费米表面的金属,进入局部电导率和粘度张量的散射率是定义良好的,对应于线性化碰撞算符的本征频率。对于各向异性金属,我们提供了这些散射率的广义公式,并使用变分近似来显示它们与微观跃迁概率的关系。我们建立了具有有限数量准守恒量的任意费米表面金属的碰撞算符的简单模型,并推导出长窄通道中随波矢量变化的电导率σ(q)和随空间变化的电导率σ(x)的表达式。我们将此应用于动量守恒和动量松弛散射的不同速率的情况,推导出σ(q)和σ(x)的封闭形式表达式-除了从圆形几何推广到任意费米曲面几何之外,这代表了对现有方法的改进,这些方法是数值求解相关微分方程而不是以封闭形式求解。对于菱形费米表面的具体情况,我们表明,如果通过圆形费米表面的模型解释输运特征,则基于实验方向和基于是否考虑σ(q)或σ(x),对潜在输运状态的诊断将有所不同。最后,我们讨论了体积电导率。虽然人们普遍认为“动量”守恒散射不会影响体电阻率,但我们表明,晶体动量守恒散射——如正常的电子-电子散射——可以影响各向异性费米表面的体电阻率。我们为这个贡献导出了一个简单的公式。
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引用次数: 0
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Low Temperature Physics
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