The dynamical properties of Rydberg hydrogen atom near a metal surface

The dynamical properties of Rydberg hydrogen atom near a metal surface are presented by using the methods of phase space analysis and closed orbit theory. Transforming the coordinates of the Hamiltonian, we find that the phase space of the system is divided into vibrational and rotational region. Both the Poincaré surface of section and the closed orbit theory verify the same conclusion clearly. In this paper we choose the atomic principal quantum number asn=20. The dynamical character of the exited hydrogen atom depends sensitively on the atom-surface distanced. Whend is sufficiently large, the atom-surface potential can be expressed by the traditional van der Waals force and the system is integrable. Whend becomes smaller, there exists a critical valued _c. Ford>d _c, the system is near-integrable and the motion is regular. While chaotic motion appears ford<d _c, and the system tends to be non-integrable. The trajectories become unstable and the electron might be captured onto the metal surface.     

A new approach to treating pressure oscillations in combustion instability phenomena

Developing exact models of combustion instabilities is not an easy task to carry out and requires a great deal of time prior to obtaining success. The present study proposes a low-order model for pressure oscillations that does not require any knowledge of the systems, any new physical findings nor intricate details regarding its operating condition. This new approach is obtained using a Modified Van der Pol’s equation (MVDP) which is tuned by use of a Dual Extended Kalman Filter (DKEF) as a recursive estimator with perspectives in control by computer. This phenomenological model is used to predict the pressure signal from a variety of different combustors. Input data were taken from experimental cases such as a Rijke tube, a gas turbine and a liquid-fuel aero-engine combustor. Furthermore, a simulation considering high frequency oscillations to show the capability of the new approach is presented. In all cases, the results demonstrated the feasibility of applying the tractable model MVDP and DKEF running together to investigate pressure oscillations in practical cases.     

Stochastic response of van der Pol oscillator with two kinds of fractional derivatives under Gaussian white noise excitation

This paper aims to investigate the stochastic response of the van der Pol(VDP) oscillator with two kinds of fractional derivatives under Gaussian white noise excitation.First,the fractional VDP oscillator is replaced by an equivalent VDP oscillator without fractional derivative terms by using the generalized harmonic balance technique.Then,the stochastic averaging method is applied to the equivalent VDP oscillator to obtain the analytical solution.Finally,the analytical solutions are validated by numerical results from the Monte Carlo simulation of the original fractional VDP oscillator.The numerical results not only demonstrate the accuracy of the proposed approach but also show that the fractional order,the fractional coefficient and the intensity of Gaussian white noise play important roles in the responses of the fractional VDP oscillator.An interesting phenomenon we found is that the effects of the fractional order of two kinds of fractional derivative items on the fractional stochastic systems are totally contrary.     

Van der Waals状态方程可压缩多流体流动的PPM方法

基于流体体积分数的混合型多流体数值模型,将Piecewise Parabolic Method（PPM）方法应用于可压缩多流体流动的数值模拟,采用双波近似求解多流体van der Waals状态方程的Riemann问题．模拟高密度比且含有激波的可压缩多流体流动,典型的纯界面平移问题模拟结果表明,在接触间断的界面附近,压力和速度没有任何的振荡且界面数值耗散都被控制在2—3个网格之内;一维和二维算例表明,该数值方法可以有效地处理接触间断、激波和多维滑移线等物理问题,并能够比其它多流体数值方法更精细地模拟多流体交界面．     

Rovibrational laser jet-cooled spectroscopy of the NH3–Ar complex in the ν2 umbrella region of NH3: comparison between new infrared data and an ab initio calculated spectrum*

ABSTRACT

Five ortho and para bands of the ν₂ umbrella mode of the NH₃–Ar van der Waals complex have been recorded at high resolution using jet-cooled infrared laser spectroscopy. A rovibrational analysis provides accurate band centres and upper state rotational constants for the Π_s(j?=?1,k?=?0)?←?Σ_a(j,k?=?0) and Σ_s(j?=?1,k?=?0)?←?Σ_a(j,k?=?0) ortho bands. The puzzling para bands observed in the region of the lower and upper components of the inversion splitting doublet have been assigned by comparison with rovibrational and tunnelling levels and transitions calculated ab initio. The latter calculations are based on the four-dimensional potential energy surface reported by Loreau et al. [J. Chem. Phys. 141, 224303 (2014)], which takes explicitly into account the umbrella motion of the ammonia molecule. The very good agreement found between Π_s/a,lower(j?=?1,k?=?1)?←?Σ_a(j?=?1,k?=?1) and Π_s/a,upper(j?=?1,k?=?1)?←?Σ_s(j?=?1,k?=?1) experimental and calculated transitions has been exploited to determine precisely two different inversion splittings in the ν₂ state (32.003(1) and 36.008(1)?cm^?1) from extrapolated Q(0) line frequencies and to obtain a qualitative picture of Coriolis couplings present in both the ν₂?=?0 and ν₂?=?1 states.     

Rovibrational spectrum and potential energy surface of the N2-N2O van der Waals complex

The rovibrational spectrum of the N₂-N₂O van der Waals complex has been recorded in the N₂O ν₁ region (∼1285 cm⁻¹) using a tunable diode laser spectrometer to probe a pulsed supersonic slit jet. The observed transitions together with the data observed previously in the N₂O ν₃ region are analyzed using a Watson S-reduced asymmetric rotor Hamiltonian. The rotational and centrifugal distortion constants for the ground and excited vibrational states are accurately determined. The band-origin of the spectrum is determined to be 1285.73964(14) cm⁻¹. A restricted two-dimensional intermolecular potential energy surface for a planar structure of N₂-N₂O has been calculated at the CCSD(T) level of theory with the aug-cc-pVDZ basis sets and a set of mid-bond functions. With the intermolecular distance fixed at the ground state value R = 3.6926 Å, the potential has a global minimum with a well depth of 326.64 cm⁻¹ at θ_N2 = 11.0° and θ_N2O = 84.3° and has a saddle point with a barrier height of 204.61 cm⁻¹ at θ_N2 = 97.4° and θ_N2O = 92.2°, where θ_N2(θ_N2O) is the enclosed angle between the N-N axis (N-N-O axis) and the intermolecular axis.     

Self‐Assembled Binary Mixtures of Partially Etched Nanowires

Arrays of anisotropic particles are sought after for applications in optics, electronics, and energy. Structures assembled from multiple micro‐ or nanoparticles could incorporate the distinct properties of each component to achieve functions not possible from single‐population assemblies. In mixed‐particle populations, the assembly forces may differ between the particle types, which will in turn influence the final assembled structures. Here, binary particle mixtures are studied and compared to assemblies formed from each of the component particles alone. The particles are partially etched nanowires (PENs, ≈300 nm diameter, and 3–8 μm overall length), which are formed by the silica coating and subsequent etching of striped metal nanowires, such that what remains are silica nanotubes containing segments of metal core (Au, Pt, Rh, or Pt/Au) with controllable location and number, spaced by “empty” regions that fill with water. Binary mixtures of PENs with different core metals and segment patterns are examined here to explore how the different core segment material, length, position, and number affects overall self‐assembly behavior.     

麦克斯韦等面积法则在范氏气体中的应用

对与范德瓦耳斯气体状态方程有关的几个问题作了进一步分析,给出了一种证明麦克斯韦等面积法则的方法,并指出了有关文献的不妥之处.     

Submillimeter-wave spectroscopy of the K = 2–1 subband of the Ne–CO complex

The pure rotational spectrum of the Ne–CO van der Waals complex has been measured in the frequency range of 208–230 GHz by using the Cologne supersonic jet spectrometer for terahertz applications (SuJeSTA). Eleven new transitions were assigned as belonging to two R- and two Q-branches of the K = 2–1 subband detected for the first time in the ground vibrational state of CO (ν_CO = 0). Improved molecular parameters of the Ne–CO complex were obtained which allowed for a sensitive test of the available intermolecular potential energy surfaces of the Ne–CO system.