Electronic,spectra, and spin orbit interaction for FrAr van der Waals system

The potential energy curves and spectroscopic constants of the ground and many excited states of the FrAr van der Waals system have been determined using a one‐electron pseudopotential approach. The Fr⁺ core and the electron–Ar interactions are replaced by effective potentials. The Fr⁺Ar core–core interaction is incorporated using the accurate CCSD(T) potential of Hickling et al. (Phys. Chem. Chem. Phys. 2004, 6, 4233). This approach reduces the number of active electrons of the FrAr van der Waals system to only one valence electron, which permits the use of very large basis sets for the Fr and Ar atoms. Using this technique, the potential energy curves of the ground and many excited states are calculated at the self consistent field (SCF) level. In addition, the spin–orbit interaction is also considered using the semiempirical scheme for the states dissociating into Fr (7p) and Fr (8p). The FrAr system is not studied previously and its potential interactions, spectroscopic constants and dipole functions are presented here for the first time. Furthermore, we have predicted the X²Σ⁺–A²Π_1/2, X²Σ⁺–AΠ_3/2, X²Σ⁺–B²Σ_1/2⁺, X²Σ⁺–3²Π_1/2, X²Σ⁺–3²Π_3/2, and X²Σ⁺–5²Σ_1/2⁺ absorption spectra. © 2012 Wiley Periodicals, Inc.     

NMR shielding constants of CuX,AgX, and AuX (X = F,Cl, Br,and I) investigated by density functional theory based on the Douglas–Kroll–Hess Hamiltonian

Two‐component relativistic density functional theory (DFT) with the second‐order Douglas–Kroll–Hess (DKH2) one‐electron Hamiltonian was applied to the calculation of nuclear magnetic resonance (NMR) shielding constant. Large basis set dependence was observed in the shielding constant of Xe atom. The DKH2‐DFT‐calculated shielding constants of I and Xe in HI, I₂, CuI, AgI, and XeF₂ agree well with those obtained by the four‐component relativistic theory and experiments. The Au NMR shielding constant in AuF is extremely more positive than in AuCl, AuBr, and AuI, as reported recently. This extremely positive shielding constant arises from the much larger Fermi contact (FC) term of AuF than in others. Interestingly, the absolute values of the paramagnetic and the FC terms are considerably larger in CuF and AuF than in others. The large paramagnetic term of AuF arises from the large d‐components in the Au d_π –F p_π and Au sd_σ–F p_σ molecular orbitals (MOs). The large FC term in AuF arises from the small energy difference between the Au sd_σ + F p_σ and Au sd_σ–F p_σ MOs. The second‐order magnetically relativistic effect, which is the effect of DKH2 magnetic operator, is important even in CuF. This effect considerably improves the overestimation of the spin‐orbit effect calculated by the Breit–Pauli magnetic operator. © 2013 Wiley Periodicals, Inc.     

Application of the Combustion Method in a Closed Flask to the Lead Determination in Atmospheric Aerosols

Abstract

The destruction of the filter for metal determination in atmospheric aerosols is an important step in the analysis. Nowadays the decomposition of this kind of sample has not been completely solved, so it is interesting to study new methods for filter sample attack. In the present work the application of the combustion method in a closed flask for mixed cellulose esters filter decomposition for lead determination is proposed. For this purpose optimum operating conditions as stopper flask design, sample size, flask volume, shaking time and volume and concentration of absorbing solution are established, and accuracy and precision of the proposed method using AAS for the measurements is given. The results obtained by the closed flask combustion are compared with those found by wet attack with HNO₃. The method proposed is rapid, has low reagent contamination and no loss of lead by volatilization or by amalgamation occurs. This method shows an accuracy and a precision in good agreement with the standard method.     

Gap formulas for closed linear relations

A classical formula for the gap between two densely defined closed operators in a Hilbert space is extended to the case of linear relations. Copyright © 2014 John Wiley & Sons, Ltd.     

Infinitely many homoclinic orbits for a class of second‐order damped differential equations

We investigate the existence and multiplicity of homoclinic orbits for the second‐order damped differential equations For Equation 1 where L(t) and W(t,u) are neither autonomous nor periodic in t. Under certain assumptions on g, L, and W, we get infinitely many homoclinic orbits for superquadratic, subquadratic and concave–convex nonlinearities cases by using fountain theorem and dual fountain theorem in critical point theory. These results generalize and improve some existing results in the literature. Copyright © 2015 JohnWiley & Sons, Ltd.     

Dynamic output feedback consensus of continuous‐time networked multiagent systems

This article addresses the dynamic output feedback consensus problem of continuous‐time networked multiagent systems. Both a fixed topology and Markovian switching topologies are considered. The consensus algorithms are on the base of the output information of each agent's itself and its neighbors. Some sufficient conditions for consensus of multiagent systems are obtained in forms of bilinear matrix inequalities. The algorithm based on the homotopy continuation method is given to compute the feasible controller gains. Numerical simulations are given to show the effectiveness of the proposed results. © 2014 Wiley Periodicals, Inc. Complexity 20: 35–42, 2015     

Uniform stabilization to equilibrium of a nonlinear fluid–structure interaction model

We consider uniform stability to a nontrivial equilibrium of a nonlinear fluid–structure interaction (FSI) defined on a two or three dimensional bounded domain. Stabilization is achieved via boundary and/or interior feedback controls implemented on both the fluid and the structure. The interior damping on the fluid combining with the viscosity effect stabilizes the dynamics of fluid. However, this dissipation propagated from the fluid alone is not sufficient to drive uniformly to equilibrium the entire coupled system. Therefore, additional interior damping on the wave component or boundary porous like damping on the interface is considered. A geometric condition on the interface is needed if only boundary damping on the wave is active. The main technical difficulty is the mismatch of regularity of hyperbolic and parabolic component of the coupled system. This is overcome by considering special multipliers constructed from Stokes solvers. The uniform stabilization result obtained in this article is global for the fully coupled FSI model.     

Generation of sub‐terahertz repetition rates from a monolithic self‐mode‐locked laser coupled with an external Fabry‐Perot cavity

A novel scheme to multiply the repetition rate of a monolithic self‐mode‐locked laser for generating sub‐terahertz pulse sources is successfully demonstrated. A coated Yb:KGW crystal is designed to achieve a self‐mode‐locked operation at a repetition rate of 24 GHz with an average output power exceeding 1.0 W at a pump power of 4.8 W. A partially reflective mirror is utilized to combine with the output surface of the gain medium to constitute an external Fabry‐Perot cavity. It is theoretically and experimentally verified that adjusting the external cavity length to satisfy the commensurate condition can lead to the frequency spacing to be various order harmonics of the mode spacing of the monolithic cavity. The maximum pulse repetition rate of the laser output can be up to 216 GHz and the pulse duration is as short as 330 fs. More importantly, the overall characteristics of the first‐order temporal autocorrelation traces obtained by sequentially scanning the external cavity.length display an intriguing phenomenon of temporally fractional revivals, similar to the feature of spatial Talbot revivals.

     

重视反馈的逆向教学设计:以质谱课程的教学为例*

基于逆向教学设计的特点及实践,分析了传统逆向教学设计的课堂实现中存在的关于预期评估与实际评估脱节的问题,阐述了教学反馈的重要性。从而提出了一种重视反馈的逆向教学设计方法。这种方法将评估预判和反馈策略充分结合到逆向教学设计中,在评估和反馈之间进行了有效关联,很好地解决了以上问题。结合笔者在质谱课程中的实践经验,对相应的教学设计的过程进行了举例说明。     

Spin–orbit stiffness of the spin‐polarized electron gas

In a spin‐polarized electron gas, Coulomb interaction couples the spin and motion degrees of freedom to build propagating spin waves. The spin wave stiffness S_sw quantifies the energy cost to trigger such excitation by perturbing the kinetic energy of the electron gas (i.e. putting it in motion). Here we introduce the concept of spin–orbit stiffness, S_so, as the energy necessary to excite a spin wave with a spin polarization induced by spin–orbit coupling. This quantity governs the Coulombic enhancement of the spin–orbit field acting of the spin wave. First‐principles calculations and electronic Raman scattering experiments carried out on a model spin‐polarized electron gas, embedded in a CdMnTe quantum well, demonstrate that S_so = S_sw. Through optical gating of the structure, we demonstrate the reproducible tuning of S_so by a factor of 3, highlighting the great potential of spin–orbit control of spin waves in view of spintronics applications. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)