• 제목/요약/키워드: Vibrational state distributions

검색결과 14건 처리시간 0.015초

Configuration Interaction Theory and van der Waals Predissociation

  • 이천우
    • Bulletin of the Korean Chemical Society
    • /
    • 제16권9호
    • /
    • pp.850-858
    • /
    • 1995
  • Golden-rule like formulas have been used without theoretical basis to calculate the resonance lifetimes and final state distributions in the predissociation of van der Waals molecules. Here we present their theoretical basis by extending Fano's configuration interaction theory. Such extensions were independently done by Farnonux [Phys. Rev. 1985, 25, 287] but his work, unfortunately, was not well known outside some small group of people in the field of Auger spectroscopy. Since my extension is easier to understand than his, it is presented here. Theoretical basis of Golden rule like formulas used in the predissociation of van der Waals molecules was obtained by using such extensions. Factors responsible for several aspects of predissociation dynamics, such as variations of dynamics as functions of resonance lifetimes, or variations in shapes of final quantum state distributions of photofragments around resonances, were identified. Parameters, or dynamical information that could be obtained from the measurement of partial cross section spectra were accordingly determined. The theory was applied to the vibrational predissociation of triatomic van der Waals molecules and its result was compared with those calculated by close-coupling method. An example where Golden-rule like expression fails and branching ratios vary greatly around a resonance was considered.

Identification and suppression of vibrational energy in stiffened plates with cutouts based on visualization techniques

  • Li, Kai;Li, Sheng;Zhao, De-You
    • Structural Engineering and Mechanics
    • /
    • 제43권3호
    • /
    • pp.395-410
    • /
    • 2012
  • The visualizing energy flow and control in vibrating stiffened plates with a cutout are studied using finite element method. The vibration intensity, vibration energy and strain energy distribution of stiffened plates with cutout at different excitation frequencies are calculated respectively and visualized for the various cases. The cases of different size and boundaries conditions of cutouts are also investigated. It is found that the cutout or opening completely changes the paths and distributions of the energy flow in stiffened plate. The magnitude of energy flow is significantly larger at the edges near the cutout boundary. The position of maximum strain energy distribution is not corresponding to the position of maximum vibrational energy. Furthermore, the energy-based control using constrained damping layer (CDL) for vibration suppression is also analyzed. According to the energy distribution maps, the CDL patches are applied to the locations that have higher energy distribution at the targeted mode of vibration. The energy-based CDL treatments have produced significant attenuation of the vibration energy and strain energy. The present energy visualization technique and energy-based CDL treatments can be extended to the vibration control of vehicles structures.

Dust Radiative Transfer Model of Spectral Energy Distributions in Clumpy, Galactic Environments

  • 선광일
    • 천문학회보
    • /
    • 제43권2호
    • /
    • pp.52.2-52.2
    • /
    • 2018
  • The shape of a galaxy's spectral energy distribution ranging from ultraviolet (UV) to infrared (IR) wavelengths provides crucial information about the underlying stellar populations, metal contents, and star-formation history. Therefore, analysis of the SED is the main means through which astronomers study distant galaxies. However, interstellar dust absorbs and scatters UV and optical light, re-emitting the absorbed energy in the mid-IR and Far-IR. I present the updated 3D Monte-Carlo radaitive transfer code MoCafe to compute the radiative transfer of stellar, dust emission through a dusty medium. The code calculates the emission expected from dust not only in pure thermal equilibrium state but also in non-thermal equilibrium state. The stochastic heating of very small dust grains and/or PAHs is calculated by solving the transition probability matrix equation between different vibrational, internal energy states. The calculation of stochastic heating is computationally expensive. A pilot study of radiative transfer models of SEDs in clumpy (turbulent), galactic environments, which has been successfully used to understand the Calzetti attenuation curves in Seon & Draine (2016), is also presented.

  • PDF

Quasiclassical Trajectory Calculations for the Reaction Ne + H2+ → NeH+ + H

  • Wang, Yuliang;Tian, Baoguo;Qu, Liangsheng;Chen, Juna;Li, Hui
    • Bulletin of the Korean Chemical Society
    • /
    • 제32권12호
    • /
    • pp.4210-4214
    • /
    • 2011
  • Quasiclassical trajectory (QCT) calculations of Ne + ${H_2}^+$ reaction have been carried out on the adiabatic potential energy surface of the ground state $1^2$ A'. The reaction probability of the title reaction for J = 0 has been calculated, and the QCT result is consistent with the previous quantum mechanical wave packet result. Quasiclassical trajectory calculations of the four polarization-dependent differential cross sections have been carried out in the center of mass (CM) frame. The P(${\theta}_r$), P(${\phi}_r$) and P(${\theta}_r$, ${\phi}_r$) distributions, the k-k'-j' correlation and the angular distribution of product rotational vectors are presented in the form of polar plots. Due to the well in $1^2$ A' PES, the reagent vibrational excitation has greater influence on the polarization of the product rotational angular momentum vectors j' than the collision energy.