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Probable Structural Invariant in Some Transitions between Crystal Water Phases 某些水晶相间转变的可能结构不变量
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-07-01 DOI: 10.3103/S1541308X23030111
E. A. Zheligovskaya

Probable structural mechanisms with structural invariants based on a chain of six-membered cycles linked through a common atom are proposed for some transitions between crystal water phases. It is shown that in the II → Ic transition with the structural invariant under consideration, 5/6 of the hydrogen bonds of the initial structure are retained, while in the same transition considered previously with the structural invariant in the form of a band of six-membered cycles linked through a shared bond, only 3/4 of the bonds of the initial structure are retained. In the V → Ic transition, both structural invariants (chains of six-membered cycles linked through a common atom and bands of six-membered cycles linked through a shared bond) are shown to be retained simultaneously. For the structural mechanism of the V → Ic transition with these structural invariants, 11/14 of hydrogen bonds of the initial structure are retained. It is shown that structural invariants of the mechanisms for the IX → Ic, VI → Ic, IX → II, and II → III transitions may also be based on a chain of six-membered cycles linked through a common atom.

提出了基于六元环链结构不变量的水晶体相转变的可能结构机制。结果表明,在考虑结构不变量的II→Ic过渡中,保留了初始结构的5/6氢键,而在先前考虑的六元环带通过共享键连接的结构不变量形式的相同过渡中,仅保留了初始结构的3/4键。在V→Ic跃迁中,两种结构不变量(通过共同原子连接的六元环链和通过共享键连接的六元环带)同时保留。对于这些结构不变量的V→Ic转变的结构机理,保留了初始结构中11/14的氢键。结果表明,IX→Ic、VI→Ic、IX→II和II→III跃迁机理的结构不变量也可以基于通过一个共同原子连接的六元环链。
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引用次数: 0
Equation of State of Hafnium at High Pressures in Shock Waves 激波高压下铪的状态方程
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-05-02 DOI: 10.3103/S1541308X23020073
K. V. Khishchenko

The thermodynamic properties of hafnium under the high pressures obtained behind the shock wave front are described. A simple model in the form of a dependence of pressure on the specific volume and specific internal energy is proposed. The thermodynamic characteristics of the body-centered cubic (bcc) solid phase and melt of hafnium under high shock-compression pressures are calculated. The calculation results are compared with the available data of shock-wave experiments. The resulting equation of state of hafnium can be used in numerical simulation of the processes occurring at high pressures in shock waves.

描述了在激波阵面后得到的高压下铪的热力学性质。提出了压力与比容和比内能关系的简单模型。计算了高冲击压缩压力下体心立方(bcc)固相和铪熔体的热力学特性。计算结果与已有的冲击波实验数据进行了比较。所得的铪态方程可用于高压激波过程的数值模拟。
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引用次数: 1
Physicochemical Methods of Studying Hydrogen Peroxide for Biomedical Applications 研究过氧化氢生物医学应用的物理化学方法
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-05-02 DOI: 10.3103/S1541308X23020103
E. V. Stepanov, I. A. Shcherbakov

The role of hydrogen peroxide molecule (Н2О2) in the vital functions of biological objects has been considered. The mechanisms of Н2О2 formation and its relationship with redox reactions, as well as some possible methods of analyzing the Н2О2 content in liquid and gaseous media, are discussed. In particular, the possibility of using highly sensitive methods of laser spectral analysis for detecting Н2О2 traces in exhaled air, which are promising for diagnostics of various pathologies, is considered. The absorption spectra of exhaled air are analyzed, and the strongest H2O2 spectral lines (isolated from the influence of other gaseous metabolites), applicable for detecting Н2О2 by diode laser spectroscopy, are chosen.

过氧化氢分子(Н2О2)在生物物体的重要功能中的作用已被考虑。讨论了Н2О2的形成机理及其与氧化还原反应的关系,以及分析液态和气态介质中Н2О2含量的几种可能方法。特别是,考虑了使用高灵敏度的激光光谱分析方法检测呼出空气中Н2О2痕迹的可能性,该方法有望用于诊断各种疾病。分析呼出空气的吸收光谱,选择适用于二极管激光光谱检测Н2О2的最强H2O2谱线(不受其他气态代谢物的影响)。
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引用次数: 0
Effect of Silicon Carbide Nanoparticles on the Characteristics of Organic Sensitizers in Solar Cells 碳化硅纳米颗粒对太阳能电池有机敏化剂特性的影响
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-05-02 DOI: 10.3103/S1541308X23020097
S. I. Rasmagin

The application of wide-gap semiconductor nanoparticles for improving optical characteristics of dye-sensitized solar cells (DSSCs) is considered. Here, silicon carbide nanoparticles (nSiC) are used as wide-gap quantum dots, and chromophores (lutetium diphthalocyanine and delphinidin) play the role of sensitizers. The influence of SiC nanoparticles on the absorption spectra of chromophores in tetrahydrofuran solutions, as well as their direct influence on substrates with titanium dioxide after introduction of sensitizers, is investigated. The characteristics of designed DSSCs are measured, and the DSSC performance is estimated based on the measurement data. The DSSC power and efficiency are calculated. It is found that addition of wide-gap semiconductor nanoparticles to a sensitizer improves significantly the characteristics of solar cells and increases essentially their stability. This improvement can be explained by the exciton decay, at which an electron passes initially to a nanoparticle of wide-gap SiC and then to a titanium dioxide (TiO2) nanoparticle. The best characteristics of the solar cell versions under consideration correspond to those obtained for delphinidin with SiC nanoparticles.

研究了宽间隙半导体纳米颗粒在改善染料敏化太阳能电池光学特性方面的应用。在这里,碳化硅纳米颗粒(nSiC)被用作宽间隙量子点,而发色团(二酞菁镥和飞燕草啶)起敏化剂的作用。研究了SiC纳米颗粒对四氢呋喃溶液中发色团吸收光谱的影响,以及引入增敏剂后对二氧化钛衬底的直接影响。测量了设计的DSSC的特性,并根据测量数据对DSSC的性能进行了估计。计算了DSSC的功率和效率。研究发现,在敏化剂中加入宽间隙半导体纳米粒子可以显著改善太阳能电池的特性,并从根本上提高其稳定性。这种改进可以用激子衰变来解释,在激子衰变中,电子首先传递给宽间隙SiC纳米颗粒,然后传递给二氧化钛(TiO2)纳米颗粒。所考虑的太阳能电池版本的最佳特性与含有SiC纳米颗粒的飞燕草酰胺的最佳特性相对应。
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引用次数: 0
Concentration Dependence of Adiabatic Compressibility of Aqueous 4-Methylpyridine Solutions at the Hypersonic Frequency 高超声速下4-甲基吡啶水溶液绝热压缩率的浓度依赖性
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-05-02 DOI: 10.3103/S1541308X23020036
N. F. Bunkin, L. M. Sabirov, D. I. Semenov

Adiabatic compressibility βS of the 4-methylpyridine + water solution is investigated in a wide concentration and temperature variation interval using Mandelstam–Brillouin scattering spectroscopy. The adiabatic compressibility minimum caused by the microinhomogeneous structure of the solution is experimentally established at the concentration of 0.06 M. The results of the investigations allow constructing a diagram of possible states caused by a continuous three-dimensional hydrogen bond network of water.

用曼德尔斯塔姆-布里渊散射光谱法研究了4-甲基吡啶+水溶液在较宽浓度和温度变化区间内的绝热压缩率βS。在0.06 m的浓度下,实验确定了由溶液的微非均匀结构引起的绝热压缩最小值。研究结果允许构建由连续的三维水氢键网络引起的可能状态图。
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引用次数: 1
Mapping of the Optical Breakdown Threshold in CVD Diamond CVD金刚石中光学击穿阈值的映射
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-05-02 DOI: 10.3103/S1541308X23020085
T. V. Kononenko, K. K. Ashikkalieva, V. V. Kononenko, A. P. Bol’shakov, V. G. Ral’chenko, V. I. Konov

A technique of two-stage three-dimensional mapping of the optical breakdown threshold in diamond crystals is proposed. In the first stage diamond is irradiated by high-energy ultrashort laser pulses, which initiate multiple microbreakdowns in the probed volume of material; these breakdowns cause formation of graphite microinclusions. A sharp decrease in the spatial density of microinclusions in some crystal zone indicates a significant increase in the average value of breakdown threshold in this zone as compared with the neighborhood. The second stage of mapping implies measurement of the absolute values of breakdown threshold by choosing the minimum laser pulse energy necessary for the formation of a graphite microinclusion at a point studied. The “abnormal” crystal zones revealed in the first stage are investigated especially thoroughly, with optimal spatial resolution. Application of this technique to synthetic diamond single crystals from different manufacturers, grown by chemical vapor deposition (CVD), revealed zones in these crystals where the breakdown threshold changes by a factor of more than 10. The boundaries of these zones are located parallel to the (100) growth face; the layer thickness and position vary unpredictably.

提出了一种金刚石晶体光学击穿阈值的两阶段三维映射技术。在第一阶段,金刚石被高能超短激光脉冲照射,在材料的探测体积中引发多个微击穿;这些分解导致石墨微包裹体的形成。在某些晶体区域,微夹杂体的空间密度急剧下降,表明该区域的击穿阈值平均值较邻近区域显著增加。测绘的第二阶段意味着通过选择在所研究的点上形成石墨微包裹体所需的最小激光脉冲能量来测量击穿阈值的绝对值。对第一阶段发现的“异常”晶体带进行了特别彻底的研究,具有最佳的空间分辨率。将该技术应用于不同制造商通过化学气相沉积(CVD)生长的人造金刚石单晶,揭示了这些晶体中击穿阈值变化超过10倍的区域。这些带的边界平行于(100)生长面;层的厚度和位置变化不可预测。
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引用次数: 0
Dielectric Field Concentrator of Microwave Radiation 微波辐射介电场集中器
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-05-02 DOI: 10.3103/S1541308X23020061
V. I. Golovanov, N. V. Suyazov, K. F. Shipilov

Investigation is carried out to experimentally study concentration of microwave radiation with a wavelength ranging from 2.46 to 3.55 cm in a compact subwavelength region by a spherical resonator consisting of a dielectric sphere with a waveguide branch 1.15, 2, or 2.26 mm in diameter connected to the sphere tangentially to its surface or normally along its radius. The microwave radiation with a frequency ranging from 8.45 to 12.2 GHz excites Mie resonance oscillations in the spherical resonator with the attached waveguide branch. Frequency dependences of radiation from the waveguide branches show that the radiation intensity at the Mie resonance is almost two orders of magnitude higher than the intensity of the radiation exciting the resonant sphere.

本文利用一个由直径为1.15、2或2.26 mm的波导分支分别与球体表面切向连接或沿球体半径正常连接的介电球组成的球形谐振器,实验研究了波长为2.46至3.55 cm的紧凑亚波长区域内微波辐射的浓度。频率为8.45 ~ 12.2 GHz的微波辐射在附加波导支路的球面谐振腔中激发米氏共振振荡。波导分支辐射的频率依赖性表明,米氏共振处的辐射强度几乎比激发谐振球的辐射强度高两个数量级。
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引用次数: 0
Structutral Phase Transitions in the Chemisorbed Chlorine Layer on Ag(100) Ag(100)表面化学吸附氯层的结构相变
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-05-02 DOI: 10.3103/S1541308X23020024
B. V. Andryushechkin, B. A. Loginov

Structural transformations under chlorine adsorption on the Ag(100) surface have been studied with scanning tunneling microscopy (STM) and within the density functional theory (DFT) calculations. The DFT method reveals that the preferable adsorption site of chlorine atoms is the fourfold hollow position. The STM technique is used to study the disorder–order structural phase transition occurring at a gradual increase in the chlorine coverage, which results in formation of the с(2 × 2) structure on the Ag(100) surface. It is found that the critical coverage of the ordering corresponds to ≈0.34–0.35 monolayer (ML). The chemisorbed chlorine monolayer is saturated at the coverage of 0.5 ML corresponding to the formation of the c(2 × 2) structure. Further chlorine absorption leads to nucleation and growth of AgCl islands near the edges of atomic steps.

利用扫描隧道显微镜(STM)和密度泛函理论(DFT)计算研究了银(100)表面氯吸附下的结构转变。DFT方法表明氯原子的较好吸附位置是四重空心位置。采用STM技术研究了在银(100)表面上随着氯的逐渐增加而形成的由2 × 2结构引起的无序-有序结构相变。结果表明,有序的临界覆盖率对应于≈0.34-0.35单层(ML)。化学吸附的氯单层在0.5 ML的覆盖下饱和,对应于c(2 × 2)结构的形成。进一步的氯吸收导致原子台阶边缘附近的AgCl岛成核和生长。
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引用次数: 0
Statistical Properties of 3-D Waves Simulated with 2-D Phase-Resolving Model 二维相位分辨模型模拟三维波的统计特性
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-05-02 DOI: 10.3103/S1541308X23020048
D. Chalikov

Further evidences of effectiveness of а two-dimensional approach to modeling of three-dimensional deep-water potential waves are given. The 2-D model is based on the same two surface conditions as 3-D, but instead of а 3-D Laplace equation (used routinely for calculation of surface vertical velocity) the surface projection of Laplace equation is suggested for use. This equation is not closed, since it contains both the vertical velocity and its vertical derivative. The closing scheme is based on consideration of vertical structure of a nonlinear component of the velocity potential. It was shown before that the surface vertical velocity and its derivative are linearly connected with a coefficient depending on some integral parameters of the problem. The applicability of the 2-D model for reproducing statistical properties of wave field was demonstrated before for relatively simple integral characteristics and spectra. The paper is devoted to comparison of more complicated statistical results generated by full 3-D model and current 2-D model. A good agreement between the high order moments for elevation and surface vertical velocity and some other characteristics proves the applicability of the model for reproducing of statistical structure of a multimode wave field with satisfactory accuracy. The main advantage of 2-D model is that it runs 30–80 times faster than a 3-D model with similar setting.

进一步证明了二维方法在三维深水势波模拟中的有效性。二维模型基于与三维相同的两个表面条件,但建议使用拉普拉斯方程的表面投影而不是三维拉普拉斯方程(通常用于计算表面垂直速度)。这个方程不是封闭的,因为它同时包含了垂直速度和垂直导数。关闭方案是基于考虑垂直结构的非线性分量的速度势。前面已经证明,表面垂直速度及其导数与依赖于问题的某些积分参数的系数线性相关。对于相对简单的积分特征和谱,二维模型在再现波场统计特性方面的适用性已经得到证明。本文对全三维模型和现有的二维模型产生的更复杂的统计结果进行了比较。高程高阶矩和地表垂直速度高阶矩与其他特征吻合较好,证明该模型适用于多模波场的统计结构再现,精度令人满意。2-D模型的主要优点是它的运行速度比类似设置的3-D模型快30-80倍。
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引用次数: 0
Electronic Properties of Magnetic Semiconductor Compounds TlFeS2 and TlFeSе2 磁性半导体化合物TlFeS2和tlfesandre2的电子性质
IF 1.4 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Pub Date : 2023-05-02 DOI: 10.3103/S1541308X2302005X
Z. A. Jahangirli, R. G. Veliyev, Z. I. Badalova, R. G. Seyidov, E. H. Alizade, T. G. Mammadov, N. A. Abdullayev

The electronic properties of magnetic semiconductors TlFeS2 and TlFeSе2 have been investigated experimentally by spectral ellipsometry and theoretically ab initio using the density functional theory (DFT). The imaginary and real parts of the dielectric function and the dispersion of the refractive indices, extinction coefficients, and absorption coefficients are found from ellipsometric measurements in the energy range of 0.7−6.5 eV. The direct band gap is estimated. The band structure, the origin of energy states, the optical functions, and the partial densities of states (PDOS) projected on atoms are determined from ab initio calculations. The calculation results are compared with the spectral ellipsometry data obtained in this study.

采用椭圆偏振光谱法和密度泛函理论从头计算方法研究了磁性半导体TlFeS2和tlfesnovel2的电子特性。在0.7 ~ 6.5 eV的能量范围内,通过椭偏测量得到了介电函数的虚部和实部以及折射率、消光系数和吸收系数的色散。估计了直接带隙。通过从头计算确定了带结构、能态起源、光学函数和投射到原子上的部分态密度(PDOS)。计算结果与本研究获得的光谱椭偏数据进行了比较。
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引用次数: 0
期刊
Physics of Wave Phenomena
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