The structural,electronic and magnetic properties of Ag4M and Ag4MCO (M = Sc–Zn) clusters

The structures, spectra and electronic and magnetic properties of Ag₄M and Ag₄MCO (M?=?Sc–Zn) clusters have been studied using density functional theory and CALYPSO structure searching method. Structural searches show that M atoms except Zn tend to occupy the highest coordination position in the ground state Ag₄M and Ag₄MCO clusters. Carbon monoxide is most easily adsorbed on Ag atom of Ag₄Zn and M atom of other Ag₄M. Infrared and Raman spectra, photoabsorption spectra and photoelectron spectra of Ag₄M and Ag₄MCO clusters are forecasted and can be used to identify these clusters from experiment. Analysis of electronic properties indicates that the adsorption of CO on Ag₄M clusters changes the zero vibrational energy (ZPVE) and increases stability of the host clusters. Dopant atoms except for Zn improve the stability of silver cluster. The Ag₄Ni cluster shows high chemical activity and maximum adsorption energy for carbon monoxide. Magnetism calculations reveal that the magnetic moment of Ag₄M (M?=?Mn–Ni) cluster adsorbed by carbon monoxide is decreased by 2 μ_B. The change of magnetic moment makes it possible to be used as a nanomaterial for carbon monoxide detection. Simultaneously, it is found that the adsorption of CO on Ag₄Cu cluster is a physical adsorption.     

The existence and stability of bulk nanobubbles:a long-standing dispute on the experimentally observed mesoscopic inhomogeneities in aqueous solutions

In theory,nanobubbles can stably exist with a lifetime of microseconds at most,but numerous experimental observations demonstrate that nanobubbles in bulk solution can be stable from hours to weeks.Although various conjectures on the stability mechanism of bulk nanobubbles,such as the contaminant mechanism,skin mechanism,surface zeta potential mechanism,are proposed,there has not yet been a unified conclusion.Since bulk nanobubbles show great potential in a wide spectrum of applications and are relevant to a number of unsolved questions on cavitation and nucleation,the debate over their stability mechanisms has been active.In the past,extensive studies have been carried out to understand the mechanism of nanobubble stability,and important insights have already been provided.This paper will provide a brief overview of our current understanding of the unexpected stability of bulk nanobubbles.     

MM工质热分解及其对ORC系统影响的研究

热稳定性是限制有机工质在有机朗肯循环(Organic Rankine Cycle,ORC)使用的重要因素。硅氧烷类工质具有低毒环保、化学性质稳定等优点,适用于150~350℃热源。本文研究了六甲基二硅氧烷(MM)工质热分解的特点及其对ORC系统的影响,结果表明,MM的热分解产物为硅氧烷类化合物及微量气态小分子碳氢化合物;热分解将导致系统性能下降,分解量足够大时,会出现蒸发器换热不充分导致膨胀机入口处工质干度低于1从而影响机组安全的问题。     

相位共轭光腔的热稳性

使用传播矩阵方法推导出了相位共轭腔的热稳条件,指出仅满足G_1G_2=(1/2)并不意味着相位共轭腔一定是热稳的.因此,为得到高质量的输出激光束,需进行相位共轭腔的最佳设计.用本文所得结果还能解释利用相位共轭技术消除畸变的定域性现象.     

A method for imaging of chemical shift or magnetic field distributions

A phase encoding method for imaging of chemical shift or magnetic field distributions is described. The method utilizes the spin-echo principle and the time period between signal collection and excitation is constant but the time period between excitation and the 180 degrees pulse is varied by constant steps. The method is relatively easy to apply with the Fourier or projection reconstruction methods.     

Variational methods for the problems of nonconservative force fields in the micropolar elastodynamics

Based on the properties of the convolution and the convolute commutation, some quasi-variational principles for the problems of nonconservative force field in the micropolar elastodynamics are given and verified in this paper. The theorem given in this paper can be applied to the theories of the nonlocal elastic mediums and the nonlocal micropolar elastic mediums.     

The bending stability and vibrations of cantilever rectangular plates

This paper discusses the problems of the bending, stability and vibrations of cantilever rectangular plates by means of the variational method. In the text a good many calculating examples are illustrated.     

On the stability of elastic curved bars

A general discussion about the stability of arbitrary elastic curved bars in space under combined actions of bending and twisting is given in this paper. A system of Eqs. (28)–(36) for perturbation functions near some equilibrium state is presented. With appropriate boundary conditions, the nontrivial solution corresponds to the critical state. Five examples are analysed in this paper. Some of them are new results and others are old problems treated using the new method.     

Determining the stress intensity factor by using the principle of minimum potential energy

Expressing the total potential energy of the system of a cracked body П by Williams’ infinite series solution of stress and displacement components containing coefficients A_n(n = 1,2,...), we obtain a set of simultaneous linear equations of unknown coefficients A_n by using the principle of minimum potential energy. When the set of equations is solved, the stress intensity factor K₁ can be easily determined. It is equal to √2πaA₁ Take a sample plate as an example. A single-edgc-cracked plate under tension, with the ratio of crack length to the width of the plate being 0.5 and the ratio of half plate height to the width of the plate being 2.0 and 2. 5, has been calculated. Only 20 - 30 coefficients are taken, and the errors in stress intensity factors are within 5%.     

Optimal control theory of an age-structured coronavirus disease model and the dynamical analysis of the underlying ordinary differential equation model having constant parameters

This paper addresses the dynamics of COVID-19 using the approach of age-structured modeling. A particular case of the model is presented by taking into account age-free parameters. The sub-model consisting of ordinary differential equations (ODEs) is investigated for possible equilibria, and qualitative aspects of the model are rigorously presented. In order to control the spread of the disease, we considered two age- and time-dependent non-pharmaceutical control measures in the age-structured model, and an optimal control problem using a general maximum principle of Pontryagin type is achieved. Finally, sample simulations are plotted which support our theoretical work.