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Model for self-assembly of Br–H and Br–Br bonded Br4Py molecules Br-H和Br-Br键合Br4Py分子的自组装模型
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-12-10 DOI: 10.3952/physics.v62i4.4820
A. Ibenskas
A model, based on the pairwise intermolecular halogen–hydrogen (Br–H) and halogen–halogen (Br–Br) bonding, is proposed to describe the self-assembly of Br4Py molecules into two different planar structures (Phase I and Phase II). The pair bonding interactions are calculated by the density functional theory for the two-molecule and four-molecule clusters. It is shown that about 60% of bonding strength is due to the electrostatic Br(top)–Br(belt) interactions, while the remaining originates from Br–H interactions. The obtained values of pair interactions are further used for Monte Carlo calculations. The model for these calculations is proposed on a square lattice. The two main pair interactions are needed for the emergence of the Phase I ordering, while the Phase II ordering is obtained using a single interaction. The obtained results explain the emergence of both phases.
基于分子间卤素-氢(Br–H)和卤素-卤素(Br-Br)的成对键合,提出了一个模型来描述Br4Py分子自组装成两种不同的平面结构(第一阶段和第二阶段)。用密度泛函理论计算了两分子团簇和四分子团簇的成键相互作用。结果表明,约60%的结合强度是由静电Br(顶部)-Br(带)相互作用引起的,而其余的则是由Br–H相互作用引起。所获得的对相互作用的值被进一步用于蒙特卡罗计算。这些计算的模型是在正方形晶格上提出的。第一阶段有序的出现需要两个主要的配对相互作用,而第二阶段有序是使用单个相互作用获得的。所获得的结果解释了这两个阶段的出现。
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引用次数: 1
Microwave electromagnetic shielding effectiveness of ZnNb2O6-chopped strands composites for radar and wideband (6.5–18 GHz) applications znnb2o6 -切碎链复合材料在雷达和宽带(6.5-18 GHz)应用中的微波电磁屏蔽效果
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-10-25 DOI: 10.3952/physics.v62i3.4799
E. Şahi̇n
In this study, the traditional mixed oxide process was used to create ZnNb2O6-chopped strands composites. The single phase compound with the chemical formula ZnNb2O6 was generated after sintering at 1100°C for 4 h. For the structural investigation, various quantities of ZnNb2O6-chopped strands were generated. X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS) were carried out for the structural analysis, which indicated that the second phase did not form in ZnNb2O6. Additionally, the ZnNb2O6-strands composites were manufactured by hot pressing using the compositions of ZnNb2O6-chopped strands in various proportions and epoxy. The ZnNb2O6-chopped strands compound formed in various weights, and epoxy resin were used to fabricate microwave shielding effectiveness composites. Utilizing a network analyzer, the microwave shielding effect of ZnNb2O6-chopped strands composites was investigated in a range of 6.5–18 GHz. At a thickness of 1.5 mm, a minimum of –51.32 dB shielding effectiveness value was achieved at 6.75 GHz. The ZnNb2O6-chopped strands compounds were produced as composite and their features were characterized for shielding effectivacy. The content of components in the samples may be managed for the larger and needed frequency bands to change the microwave shielding performance.
在本研究中,采用传统的混合氧化物工艺制备了ZnNb2O6短切股复合材料。化学式为ZnNb2O6的单相化合物是在1100°C下烧结4小时后产生的。为了进行结构研究,产生了不同数量的ZnNb2O 6短切股。通过X射线衍射(XRD)、扫描电子显微镜(SEM)和能谱仪(EDS)进行了结构分析,表明ZnNb2O6中没有形成第二相。此外,使用不同比例的ZnNb2O6短切股线和环氧树脂的组合物,通过热压制备了ZnNb2O5股线复合材料。采用不同重量的ZnNb2O6短切复合材料和环氧树脂制备了微波屏蔽效能复合材料。利用网络分析仪,研究了ZnNb2O6短切股复合材料在6.5–18GHz范围内的微波屏蔽效果。厚度为1.5 mm时,6.75 GHz时的屏蔽有效性最小值为-51.32 dB。制备了ZnNb2O6短切股线化合物作为复合材料,并对其屏蔽效果进行了表征。可以针对较大且需要的频带来管理样品中的成分含量,以改变微波屏蔽性能。
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引用次数: 3
Generation-recombination noise and other features of doped silicon in a wide temperature range 宽温度范围内掺杂硅的产生复合噪声及其他特性
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-10-25 DOI: 10.3952/physics.v62i3.4798
V. Palenskis, J. Glemza, J. Matukas
The characteristics of the generation-recombination (g-r) process in silicon are investigated in a temperature range from 25 to 360 K. In the case of shallow donors, it is shown that the free electron density strongly depends on temperature: only 20% of donors are ionized at shallow donor densities of about 1017 cm–3 at liquid nitrogen temperature. The maximum of the variance of generation-recombination noise due to the free electron density fluctuations for a silicon sample with shallow donors strongly increases with donor density and shifts with temperature. It is demonstrated that the relative variance of free electron number fluctuations is always equal to 0.5 at low temperatures. The normalized generation-recombination noise spectra are depicted in a very wide frequency range. There is also a detailed investigation of the generation-recombination noise characteristics of an acceptor-partially compensated silicon sample with two donor levels. In this work, the main focus is on the characteristics of silicon doped by shallow donors as it is extremely widely used.
在25至360 K的温度范围内研究了硅中产生-复合(g-r)过程的特性。在浅施主的情况下,研究表明自由电子密度强烈依赖于温度:在液氮温度下,只有20%的施主在约1017 cm–3的浅施主密度下被电离。对于具有浅施主的硅样品,由于自由电子密度波动引起的生成复合噪声的最大方差随着施主密度而强烈增加,并且随着温度而偏移。结果表明,在低温下,自由电子数波动的相对方差总是等于0.5。归一化的生成复合噪声谱被描述在非常宽的频率范围内。还详细研究了具有两个施主能级的受主部分补偿硅样品的产生-复合噪声特性。在这项工作中,主要关注浅施主掺杂硅的特性,因为它被广泛使用。
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引用次数: 0
Towards wireless data transmission with compact all-electronic THz source and detector system 用紧凑的全电子太赫兹源和探测器系统实现无线数据传输
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-10-25 DOI: 10.3952/physics.v62i3.4796
A. Cesiul, K. Ikamas, D. B. But, I. Morkunaitė, T. Lisauskas, A. Lisauskas
This paper presents a fully-electronic wireless link operating at the 250 GHz frequency. The key elements of the developed system are the voltage-controlled harmonic oscillator implemented in 65 nm complementary metal-oxide-semiconductor technology (CMOS) and a quasi-optical detector with a resonantantenna- coupled field-effect transistor completed in 90 nm CMOS. The source is optimized for the third harmonic emission at 252 GHz with radiated power reaching up to –11 dBm (decibels with reference to one milliwatt) level. The detector has a resonance maximum of 254 GHz with a bandwidth of 25% and a minimal optical noise equivalent power of 22 pW/√−H−z . We employ an on-off keying technique for data coding and demonstrate digital signal transmission from 0.4 to 18 m distances. At 0.4 m distance and modulation frequency of 32 MHz, we achieve a 15.9 dB signal-to-noise ratio. The channel capacity of assembled communication link reaches 266 Mbit/s. However, it is limited by external electronic components – the amplifier and the modulator bandwidths. Implementing state-of-the-art high-frequency circuits should allow directly scaling the throughput to 10 Gbit/s.
本文提出了一种工作在250ghz频率下的全电子无线链路。该系统的关键元件是采用65nm互补金属氧化物半导体技术(CMOS)实现的压控谐波振荡器和采用90nm CMOS实现的带谐振天线耦合场效应晶体管的准光学探测器。该源针对252ghz的三次谐波发射进行了优化,辐射功率高达-11 dBm(参考一毫瓦的分贝)水平。该探测器的最大谐振频率为254 GHz,带宽为25%,最小光噪声等效功率为22 pW/√−H−z。我们采用一种开关键控技术进行数据编码,并演示了从0.4到18米距离的数字信号传输。在0.4米的距离和32 MHz的调制频率下,我们实现了15.9 dB的信噪比。组合通信链路信道容量达到266mbit /s。然而,它受到外部电子元件-放大器和调制器带宽的限制。实现最先进的高频电路应该允许直接将吞吐量扩展到10 Gbit/s。
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引用次数: 2
Investigation of reflection bands of 1D annular photonic crystal containing double negative index material and non-magnetized plasma 含双负折射率材料和非磁化等离子体的一维环形光子晶体的反射带研究
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-10-25 DOI: 10.3952/physics.v62i3.4797
A. Aghajamali, S. K. Srivastava, C. Nayak
In this paper, optical reflectance properties of an annular photonic crystal (APC) composed of alternate layers of double negative (DNG) material and a non-magnetized plasma (NMP) layer, immersed in free space, have been theoretically investigated and studied. The reflectance spectra of the annular PC have been obtained by employing the transfer matrix method (TMM) for the cylindrical waves in the case of TEpolarized wave only. It has been found that the spectral position and width of the reflection bands of APC are greatly influenced by the variation in the thickness of DNG metamaterial and NMP layer, respectively. Interestingly, it is observed that the presence of NMP layer causes the increase in photonic band gap (PBG) whereas the DNG layer reduces the PBG. Further, the effect of azimuthal mode number (m) on the reflectance spectra shows that for m > 0, splitting in the reflection bands occurs at the frequency corresponding to the zero permeability value of DNG metamaterial layer. Moreover, with the increase in azimuthal mode number one PBG is red-shifted and the second one is blue-shifted. Finally, the effect of change in the starting radius parameter of curved surface and plasma electron density on the reflectance spectra of APC has also been studied and very interesting results have been observed.
本文从理论上研究了浸没在自由空间中的由双负极(DNG)材料层和非磁化等离子体(NMP)层交替构成的环形光子晶体(APC)的光学反射特性。利用传递矩阵法(TMM)得到了圆柱波在四极化波情况下环形PC的反射光谱。研究发现,APC反射带的光谱位置和宽度分别受DNG超材料和NMP层厚度变化的影响较大。有趣的是,观察到NMP层的存在导致光子带隙(PBG)的增加,而DNG层的存在则降低了PBG。此外,方位角模数(m)对反射光谱的影响表明,在m > 0时,反射带发生分裂的频率与DNG超材料层的零渗透率值对应。而且,随着方位角模式的增加,第一PBG发生红移,第二PBG发生蓝移。最后,我们还研究了曲面起始半径参数和等离子体电子密度的变化对APC反射光谱的影响,得到了非常有趣的结果。
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引用次数: 0
Application of artificial neural network for the ionizing radiation particle identification by the plastic scintillation detector response 人工神经网络在塑料闪烁探测器响应电离辐射粒子识别中的应用
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-10-25 DOI: 10.3952/physics.v62i3.4800
J. Garankin, A. Plukis
The separation of ionizing radiation particles is an important and challenging task, especially regarding neutrons and gamma rays. The separation of neutron and gamma radiation is necessary for safeguard purposes and control of nuclear reactions. Standard mathematical models of pulse analysis work well in the presence of large energy transfer (>1 MeV) from the particle to the detector. However, the quality of the separation decreases as the amount of transferred energy lessens, making it impossible to determine the exact type of particle at a sufficiently low-energy level. In this work, an artificial neural network model was used to solve the problem of separation at low-energy levels. The supervised machine learning (ML) model was used to analyse pulses received from the polyethylene naphthalate (PEN) scintillation detector. Several data sets after the PEN exposure to neutron/gamma (combined 239PuBe and 238PuBe source), alpha (238Pu) and beta (90Sr/90Y) sources were used to train the models. The information obtained from the separation of neutrons and gamma particles was compared with the information obtained using standard pulses delayed fluorescence analysis methods. The obtained results showed that the model was able to separate particles in the fields of low- and high-energy transfer.
电离辐射粒子的分离是一项重要而富有挑战性的任务,尤其是在中子和伽马射线方面。中子和伽马辐射的分离对于核反应的保障和控制是必要的。脉冲分析的标准数学模型在存在从粒子到探测器的大能量转移(>1MeV)的情况下工作良好。然而,分离的质量随着传递能量的减少而降低,使得无法在足够低的能量水平下确定颗粒的确切类型。在这项工作中,使用人工神经网络模型来解决低能量水平下的分离问题。监督机器学习(ML)模型用于分析从聚萘二甲酸乙二醇酯(PEN)闪烁探测器接收到的脉冲。PEN暴露于中子/伽马(239PuBe和238PuBe组合源)、α(238Pu)和β(90Sr/90Y)源后的几个数据集用于训练模型。将从中子和伽马粒子的分离获得的信息与使用标准脉冲延迟荧光分析方法获得的信息进行比较。结果表明,该模型能够在低能量和高能量转移场中分离粒子。
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引用次数: 0
O NMR and DFT study of hydrogen bonding: Proton sharing and incipient transfer 氢键的O NMR和DFT研究:质子共享和初始转移
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-07-12 DOI: 10.3952/physics.v62i2.4744
V. Balevičius, K. Aidas, A. Marsalka, F. Kuliesius, V. Jakubkienė, S. Tumkevičius
O NMR spectra of pyridine N-oxide (PyO) complexes with the acids – acetic (AA), cyanoacetic (CyA), propiolic (PA), trichloroacetic (TCA), trifluoroacetic (TFA), hydrochloric (HCl) and methanesulfonic (MSA) – as well as some related molecules with intramolecular H-bonds (4-substituted picolinic acid N-oxides) were studied in an acetonitrile (ACN) solution. In order to evaluate the effect of proton positioning along the O–H…O bond on the measured chemical shifts the full geometry optimization was carried out, and 17O magnetic shielding tensors were calculated using density functional theory (DFT). The modified hybrid functional PBE1PBE with the 6-311++G** basis set and the gauge-including atomic orbital (GIAO) approach were applied. The solvent effect was taken into account by a polarized continuum model using the integral equation formalism (IEFPCM). Two stable structures were deduced for the PyO complexes with TCA and TFA that correspond to the H-bonds with and without proton transfer (PT). Two minima on the potential surface were separated by ca 0.2 Å. The experimental 17O NMR spectra have shown that the PyO-TCA complex in ACN can be considered as H-bonding with incipient PT, whereas it is known from neutron diffraction that in its crystalline state PT occurs. The proton location in PyO-TFA due to the thermally induced proton sharing was found at the middle point. The 17O NMR data for the acids with an intramolecular H-bond (nitroPANO, PANO and methoxyPANO) deviate from the general trend. The factors that can cause it, such as the substitution effect, persistence of nano-crystallites in a solution due to a low solubility, etc., have been discussed.
在乙腈(ACN)溶液中,研究了吡啶n -氧化物(PyO)配合物与乙酸(AA)、氰乙酸(CyA)、丙酸(PA)、三氯乙酸(TCA)、三氟乙酸(TFA)、盐酸(HCl)和甲烷磺酸(MSA)等酸以及具有分子内氢键的相关分子(4-取代吡啶酸n -氧化物)的核磁共振波谱。为了评估质子沿O - h…O键定位对测量化学位移的影响,进行了全几何优化,并利用密度泛函理论(DFT)计算了17O磁屏蔽张量。采用6-311++G**基集的改进杂化泛函PBE1PBE,采用含量规原子轨道(GIAO)方法。采用积分方程(IEFPCM)的极化连续介质模型考虑了溶剂效应。推导了含TCA和TFA的PyO配合物的两种稳定结构,它们对应于质子转移(PT)和不质子转移(PT)的氢键。电势表面上的两个极小值用ca 0.2 Å隔开。实验的17O核磁共振谱表明,ACN中的PyO-TCA配合物可以认为是与初始PT成氢键,而从中子衍射可知,在其晶体状态下,PT发生。在PyO-TFA中,由于热诱导的质子共享,质子定位在中点。具有分子内氢键的酸(硝基PANO, PANO和甲氧基PANO)的17O NMR数据偏离了一般趋势。本文还讨论了纳米晶在溶液中溶解度低而导致的取代效应、纳米晶在溶液中的持久性等因素。
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引用次数: 1
The gloria mundi of SYK does not transit yet SYK的gloria mundi还没有过境
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-07-12 DOI: 10.3952/physics.v62i2.4741
D. Khveshchenko
This paper discusses the examples of 0 + 1-dimensional Liouvillean dynamics instigated by the various deformations of the Sachdev–Ye–Kitaev (SYK) model. In reference to such deformations the main focus is on the regions of parameter space where the competing SYK couplings are of a comparable strength and cannot be treated as each other’s perturbations in the vicinity of the conformal fixed points corresponding to the pure SYKq models with different values of q. Crossovers between such fixed points (‘SYK transits’) can be efficiently studied in the equivalent framework of single-particle quantum mechanics.
本文讨论了由Sachdev–Ye–Kitaev(SYK)模型的各种变形引起的0+1维刘维动力学的例子。关于这种变形,主要关注的是参数空间的区域,在这些区域中,竞争的SYK耦合具有可比较的强度,并且在对应于具有不同q值的纯SYKq模型的保角不动点附近不能被视为彼此的扰动。在单粒子量子力学的等效框架中,可以有效地研究这种不动点之间的交叉(“YK跃迁”)。
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引用次数: 1
Influence of an ultra-thin buffer layer on the growth and properties of pseudomorphic GaAsBi layers 超薄缓冲层对伪晶GaAsBi层生长和性能的影响
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-07-12 DOI: 10.3952/physics.v62i2.4742
S. Pūkienė, A. Jasinskas, A. Zelioli, S. Stanionytė, V. Bukauskas, B. Čechavičius, E. Dudutienė, R. Butkutė
A series of 100 nm-thick pseudomorphic GaAsBi layers with the Bi content varying from 0.97 to 11.2% have been grown by molecular beam epitaxy (MBE) on the semi-insulating GaAs(100) substrates buffered with an ultra-thin up to 20 nm thick GaAs layer. The main attention in this work was focused on the investigation of relaxation in the Bi induced compressively-strained GaAsBi layers containing a various content of Bi. The lattice parameters of GaAs- Bi compound and the Bi concentration have been evaluated from high resolution X-ray diffraction measurements. The relaxation values of GaAsBi layers ranging from 0.4 to 3.5% were obtained analyzing the symmetric and asymmetric reciprocal space maps of (004) and (115) planes, respectively. Also, the complex study was performed to clarify the relaxation effect on structural, morphological and optical properties of bismide layers. Optical measurements revealed a significant reduction of the energy band gap from 1.34 to 0.92 eV for the layers containing 0.97–8.6% of Bi in the GaAs lattice.
通过分子束外延(MBE)在缓冲有厚度达20nm的超薄GaAs层的半绝缘GaAs(100)衬底上生长了一系列厚度为100nm的赝晶GaAsBi层,Bi含量从0.97%到11.2%不等。本文主要研究了含不同Bi含量的Bi引起的压缩应变GaAsBi层的弛豫。通过高分辨率X射线衍射测量,对GaAs-Bi化合物的晶格参数和Bi浓度进行了评估。通过分析(004)和(115)平面的对称和非对称互易空间图,分别获得了在0.4%至3.5%范围内的GaAsBi层的弛豫值。此外,还进行了复杂的研究,以阐明弛豫对斜视层的结构、形态和光学性能的影响。光学测量显示,GaAs晶格中Bi含量为0.97–8.6%的层的能带隙从1.34 eV显著降低到0.92 eV。
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引用次数: 0
Study of the aerosol particle filtration efficiency of fabrics used to manufacture non-medical face masks in Lithuania 立陶宛非医用口罩生产用织物的气溶胶颗粒过滤效率研究
IF 0.6 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2022-07-12 DOI: 10.3952/physics.v62i2.4743
K. Kandrotaitė, V. Dudoitis, I. Uogintė, P. Strizak, F. Pope, K. Plauškaitė, S. Byčenkienė
The global spread of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) proved to be a challenge for public health. The high demand of medical masks worldwide during the pandemic has led to a critical situation for decision-makers regarding high-quality mask supply. For this period, the World Health Organization has suggested the use of non-medical face masks (also known as ‘community’ masks) in public places to reduce the airborne spread of SARS-CoV-2. In this study, the filtration efficiency of various fabrics widely used in community masks was determined based on two main mask filtering properties: filtration efficiency (FE) and pressure drop (ΔP) according to the recommendations of the CEN Workshop Agreement (CWA) 17553:2020. The combination of FE and ΔP parameters must be considered in order to select suitable materials for public masks. The filtration efficiencies for various fabrics ranged from 6 to 100%. It was found that the composite materials have the highest FE equivalent to the requirements of a medical mask (FE > 95%), that is confirmed by high-quality parameters 16–30 kPa–1. The study found that fabrics of natural fibres (100% cotton) have a higher FE with Ag coating (18–40% before and 29–40% after coating) in the 0.54–1.50 μm particle size range.
事实证明,严重急性呼吸综合征冠状病毒2 (SARS-CoV-2)的全球传播对公共卫生构成了挑战。大流行期间,全球对医用口罩的高需求导致决策者在高质量口罩供应方面面临严峻形势。在此期间,世界卫生组织建议在公共场所使用非医用口罩(也称为“社区”口罩),以减少SARS-CoV-2的空气传播。本研究根据CEN车间协议(CWA) 17553:2020的建议,根据过滤效率(FE)和压降(ΔP)两大口罩过滤性能,确定社区口罩中广泛使用的各种面料的过滤效率。为了选择合适的公共口罩材料,必须考虑有限元和ΔP参数的组合。不同织物的过滤效率从6%到100%不等。结果表明,该复合材料具有最高的等效于医用口罩要求的FE (FE > 95%),并得到了16-30 kPa-1的高质量参数的证实。研究发现,在0.54 ~ 1.50 μm粒径范围内,天然纤维(100%棉)织物经镀银处理后的FE(镀银前为18 ~ 40%,镀银后为29 ~ 40%)较高。
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引用次数: 0
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Lithuanian Journal of Physics
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