Diffusion Model of a Non-Integer Order PIγ Controller with TCP/UDP Streams

In this article, a way to employ the diffusion approximation to model interplay between TCP and UDP flows is presented. In order to control traffic congestion, an environment of IP routers applying AQM (Active Queue Management) algorithms has been introduced. Furthermore, the impact of the fractional controller PIγ and its parameters on the transport protocols is investigated. The controller has been elaborated in accordance with the control theory. The TCP and UDP flows are transmitted simultaneously and are mutually independent. Only the TCP is controlled by the AQM algorithm. Our diffusion model allows a single TCP or UDP flow to start or end at any time, which distinguishes it from those previously described in the literature.     

超声波燃气表矩形流道的雷诺修正系数仿真研究

在超声波流量计测量技术中, 雷诺修正系数相关的研究对于提高计量精度有重要作用. 为研究矩形流道的雷诺修正系数与雷诺数的关系, 对矩形流道在常温常压流量较小情况下进行仿真, 结果发现: 矩形流道层流状态下的雷诺修正系数与雷诺数呈线性相关. 保持压强、体积流量不变, 在不同温度下进行仿真及拟合, 结果表明: 在不同温度下雷诺修正系数与雷诺数的线性关系依然满足. 在上述实验基础上, 对矩形流道湍流状态下的雷诺修正系数与雷诺数关系进行研究, 通过改变温度、压强和体积流量进行仿真及拟合发现, 矩形流道湍流状态下雷诺修正系数与雷诺数呈非线性相关.     

Negative thermal expansion in NbF_3 and NbOF_2:A comparative theoretical study

Thermal expansion control is always an obstructive factor and challenging in high precision engineering field. Here,the negative thermal expansion of Nb F_3 and Nb OF_2 was predicted by first-principles calculation with density functional theory and the quasi-harmonic approximation(QHA). We studied the total charge density, thermal vibration, and lattice dynamic to investigate the thermal expansion mechanism. We found that the presence of O induced the relatively strong covalent bond in Nb OF_2, thus weakening the transverse vibration of F and O in Nb OF_2, compared with the case of Nb F_3.In this study, we proposed a way to tailor negative thermal expansion of metal fluorides by introducing the oxygen atoms.The present work not only predicts two NTE compounds, but also provides an insight on thermal expansion control by designing chemical bond type.     

On the Relative Twist Formula of l-adic Sheaves

We propose a conjecture on the relative twist formula of l-adic sheaves, which can be viewed as a generalization of Kato—Saito's conjecture. We verify this conjecture under some transversal assumptions. We also define a relative cohomological characteristic class and prove that its formation is compatible with proper push-forward. A conjectural relation is also given between the relative twist formula and the relative cohomological characteristic class.     

Synthesis of 29H,31H-phthalocyanine and chloro (29H,31H-phthalocyaninato) aluminum derivatives showed anti-cancer and anti-bacterial actions

Continuous administration of most chemotherapeutic drugs can induce different types of side effects. There has been growing interest in exploring an alternative approach to synthesizing compounds that are most effective and have fewer side effects. We synthesized 29H,31H-Phthalocyanine, and Chloro (29H,31H- phthalocyaninato) aluminum at low temperatures using lithium in the present study with diisopropylamide as the nucleophile. The physical characteristics of 29H,31H-Phthalocyanine, and Chloro (29H,31H- phthalocyaninato) aluminum were confirmed by FT-IR method, XRD, SEM, and the impact of these compounds on human colorectal carcinoma (HCT-116) and human cervical cells (HeLa) was examined. Treatment with 29H,31H-Phthalocyanine significantly decreased cancer cell growth and proliferation, as determined by MTT and DAPI staining analysis. In contrast, Chloro (29H,31H- phthalocyaninato) aluminum treatment did not show any inhibitory action on colon or cervical cancer cells. We also calculated the inhibitory concentration (IC50) of 29H,31H-Phthalocyanine, which was 30 µg/ml (HCT-116) and 33 µg/ml (HeLa cells). The antibacterial effectiveness of 29H,31H-Phthalocyanine, and chloro (29H,31H- phthalocyaninato) aluminum was studied using Enterococcus faecalis (E. faecalis). The CFU (colony frequency unit) assay confirmed significant activity against the test bacterium after treatment with 29H,31H-Phthalocyanine. However, no activity was seen upon treatment with chloro (29H,31H- phthalocyaninato) aluminum against E. faecalis.     

Spectroscopic properties and bond dissociation energies of PbX,PbX±, PbX2 and PbX2± (X ​= ​F,Cl, Br,I)

Ab initio calculations have been performed to investigate some of the spectroscopic properties, like geometry, frequency, electron affinity, ionization potential and finally adiabatic bond dissociation energies (BDEs) of lead monohalides, lead dihalides and their ions viz. PbX, PbX^±, PbX₂, $\mathrm{P}\mathrm{b}{\mathrm{X}}_{\mathrm{2}}^{\pm }$ (X ?= ?F, Cl, Br, I) in their ground state at the QCISD(T)//MP2 level of theory using correlation consistent basis sets. For the validation of MP2 optimized geometry and frequency, we further obtained geometry and frequency of all the neutral and ionic systems using QCISD(T) method with the same basis sets. The BDEs of PbX₂ molecules are calculated using the BDEs of $\mathrm{P}\mathrm{b}{\mathrm{X}}_{\mathrm{2}}^{\pm }$ ions and taking ionization potential and electron affinity of various systems. The calculated values are found in good agreement with the available data. Most of the data for ionic systems are reported first time in literature.     

高居里温度铁电单晶PIN-PT的机电性能

弛豫铁电单晶Pb(In_1/2Nb_1/2)O₃-PbTiO₃(PIN-PT)相较于常用的Pb(Mg_1/3Nb_2/3)O₃-PbTiO₃(PMN-PT)具有更高的居里温度,在高稳定性、高性能的传感器、换能器方面具有应用前景。本工作采用谐振法研究了[001]方向极化的0.66PIN-0.34PT铁电单晶的全矩阵机电性能参数。0.66PIN-0.34PT 单晶的三方-四方相变温度(T_RT)约为160 ℃,居里温度(T_C)约为260 ℃,室温压电系数d₃₃、d₃₁、d₁₅分别为1 340 pC/N、-780 pC/N、321 pC/N,介电常数ε^T₃₃、ε^S₃₃、ε^T₁₁、ε^S₁₁分别为2 700、905、2 210、1 927,机电耦合系数 k₃₃、k₃₁、k₁₅、k_t分别为 87%、58%、38%、61%。其纵向压电常数(d₃₃)和纵向机电耦合系数(k₃₃)小于 PMN-PT 单晶,但是横向压电性能(d₃₁)和剪切压电性能(d₁₅)都略高于PMN-PT单晶。另外,研究了机电耦合性能随温度的变化趋势,发现0.66PIN-0.34PT单晶在150 ℃以下有较好的温度稳定性。     

有机张力半导体及其光电特性

分子张力作为空间设计的重要组成部分正成为调控有机半导体的重要手段。由于分子内产生的拉伸张力、扭曲/弯曲张力以及空间张力而导致p轨道排布重组和构型构象结构发生变化,最近各种几何与拓扑结构的高张力有机半导体材料相继被报道,这使得高张力有机半导体材料成为有机电子领域研究的焦点。为了进一步梳理分子张力在有机半导体材料中扮演的角色与价值,该综述从分子张力的类型、实验与理论量化以及可视化出发,总结了高张力共轭芳烃的分子设计策略、与其光电性能分子张力之间的关系,以及这类新兴材料在光电领域的应用。最后,对高张力共轭芳烃的研究前景进行了展望,阐述了该类材料所面临的机遇与挑战。     

Mobility of water molecules in Li+, Na+ and Cs+ ionic forms of Nafion membrane studied by NMR

Correlation times and diffusion coefficients of water molecules were measured for the first time by ¹H spin relaxation and pulsed field gradient NMR in Li⁺, Na⁺ and Cs⁺ ionic forms of Nafion 117 membrane. Hydration numbers of Li⁺, Na⁺ and Cs⁺ cations were calculated. It was shown that at high humidity macroscopic transfer is controlled by the local translational motion of water molecules.     

Comparison study of exchange-correlation functionals on prediction of ground states and structural properties

Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote.