Finite-difference calculation of donor energy levels in a spherical quantum dot subject to a magnetic field

The ground and excited states of a donor impurity at the center of a spherical quantum dot subject to a magnetic field are calculated within the effective-mass approximation. The barriers are infinitely high and the differential equation is solved by combining the finite-difference method with the Richardson extrapolation. The binding and transition energies are more accurate than the available variational values, and excellent agreement is found with the hydrogen atom. The transition energies for a medium-size quantum dot are given.     

Conformational Changes and Redox Properties of Bimetallic Single Helicates of Hexapyrrole-α,ω-dicarbaldehydes

The hexapyrrole-α,ω-dicarbaldehydes 1 a and 1 b were metallated with Cu^II, Ni^II, and Pd^II to give bimetallic complexes where a pair of 3 N+O four-coordinate metal planes are helically distorted and the central 2,2′-bipyrrole subunit adopts a cis or trans conformation. X-ray crystallographic analysis of the bisCu complex revealed a closed form with a cis-2,2′-bipyrrole subunit and an open form with a trans-2,2′-bipyrrole subunit. The bisPd complexes took a closed form both in the solid state and in solution. They are regarded as single helicates of two turns and the energy barrier for the interchange between an M helix and a P helix was remarkably influenced by the bulky 3,3′-substituent of the central 2,2′-bipyrrole subunit. Although the bisNi complexes adopt a closed form in the solid state, they exist as a homohelical open C₂-symmetric form or a heterohelical open C_i-symmetric form in solution. A theoretical study suggested that the closed form of 1 a Pd was stabilized by the Pd–Pd interaction. Compound 1 a Pd was reversibly oxidized by one electron at 0.14 V versus ferrocene/ferrocenium (Fc/Fc⁺) and this oxidized species showed Vis/NIR absorption bands at λ=767 and 1408 nm.     

Thermal consequences of a regular black hole with cosmological constant and Einstein–Aether black hole

We discuss the thermodynamics of regular black hole (RBH) with cosmological constant and Einstein–Aether black hole (BH) with coupling constant in the presence of thermal corrections. For these BHs, we develop various thermodynamical quantities such as entropy, pressure, specific heats, Gibbs free energy and Helmholtz free energy. Thermal stability is also being analyzed through γ factor, Gibbs free energy and Helmholtz free energy. It is found that RBH with cosmological constant and Einstein–Aether show stable behavior with the increase of the values of cosmological and coupling constants.     

Graphene-based mass sensors: Chaotic dynamics analysis using the nonlocal strain gradient model

Nonlinear oscillations of graphene resonators are unavoidable due to enhancing the mass sensitivity of graphene-based mass sensors and the nonlinear behavior of the systems provides the route to chaos. In this paper, the nonlinear and chaotic behavior of the graphene-based mass sensor is investigated. The nano-mechanical sensor includes an electrostatically actuated fully clamped single-graphene sheet as a nano-resonator with an attached concentrated mass. By neglecting the rotary inertia, the equation of motion of the nano- resonator and the attached mass is derived using the nonlocal strain gradient theory of elasticity. The nano-resonator is modeled as a Kirchhoff nano-plate with the von Kármán-type geometric nonlinearity. Applying the Galerkin decomposition method to the partial differential equation of motion leads to the ordinary differential equation. Based on the Melnikov's integral method two analytical criteria are derived which provide necessary conditions that determine the chaotic region of the system. The chaotic dynamics of the system are also scrutinized and verified through plotting the Lyapunov exponent diagram, phase plane trajectories and Poincaré maps.     

Inhibition of cold-welding and adhesive wear occurring on surface of the 6061 aluminum alloy by graphene oxide/polyethylene glycol composite water-based lubricant

In this paper, graphene oxide/polyethylene glycol (GO/PEG) composite water-based lubricant was prepared by an ultrasonic dispersion method, and characterized and analyzed by Fourier transform infrared (FT-IR), Raman spectroscopy, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and thermogravimetric analysis (TGA). The suspension performance of GO/PEG composite water-based lubricant in water was verified by static sedimentation and centrifugation, and then, the prepared GO/PEG composite water-based lubricant was added into 304 stainless steel and 6061 aluminum alloy, and the coefficient of friction (COF) curve, average COF value, average wear rate, corresponding photomicrographs of balls and disks after wear, and energy-dispersive spectrometer (EDS) elemental analysis were used to illustrate the lubrication effect and lubrication mechanism. The results show that the GO/PEG composite water-based lubricant possesses excellent suspension ability in water, and the average COF value and wear rate of GO/PEG composite water-based lubricant are reduced by 78.8% and 88.8%, respectively, compared with water lubrication. The excellent lubrication effect of GO/PEG composite water-based lubricant can effectively reduce the cold-welding and adhesive wear phenomenon, mainly because GO/PEG composite water-based lubricant first fills the uneven surface of friction mating to form a high-quality lubricating film and then because of the special space structure of GO and the low shear between GO layers and the synergistic lubrication effect of GO/PEG.     

含镨稀土抛光粉的制备及其抛光性能研究

通过采用碳酸镧(铈、镨)为前驱体,经氟化、高温焙烧、机械湿磨的方法得到稀土抛光粉,研究了不同掺镨量对稀土抛光粉的物相结构、表面形貌、粒度、密度、抛蚀量的影响。通过XRD分析得出结论:La2O3,Pr6O11固溶于CeO2的晶格结构中,并且出现了新的物相LaOF;随镨掺量的增大,LaOF的衍射峰强度不断增加,晶化程度不断增加;CeO2的XRD特征峰向左偏移,晶胞参数变大,晶面间距变大。通过粒度分析得出结论:随镨掺量的增加,抛光粉的中位粒径出现了先减小后增大的规律性变化。通过抛蚀量测试得出结论:随镨掺量的增加,抛光粉的抛蚀量出现了先增大后减小的变化。掺镨稀土抛光在镨含量为4.8%时,具有最小的中位粒径、较好的表面形貌和最大的抛蚀量。     

Syntheses,characterization and nonlinear optical properties of sodium–scandium carbonate Na5Sc(CO3)4·2H2O

A novel nonlinear optical (NLO) material Na₅Sc(CO₃)₄·2H₂O has been synthesized under a subcritical hydrothermal condition. The structure is determined by single-crystal X-ray diffraction and further characterized by TG analyses and UV–vis–NIR diffuse reflectance spectrum. It crystallizes in the tetragonal space group P-421c, with a = b = 7.4622(6) Å, C = 11.5928(15) Å. The Second-harmonic generation (SHG) on polycrystalline samples was measured using the Kurtz and Perry technique, which indicated that Na₅Sc(CO₃)₄·2H₂O was a phase-matchable material, and its measured SHG coefficient was about 1.8 times as large as that of d₃₆ (KDP). The results from the UV–vis diffuse reflectance spectroscopy study of the powder samples indicated that the short-wavelength absorption edges of Na₅Sc(CO₃)₄·2H₂O is about 220 nm, suggesting that this crystal is a promising UV nonlinear optical (NLO) materials.