scholarly journals Multichannel dynamics in the OH+ n-butane reaction revealed by crossed-beam slice imaging and quasiclassical trajectory calculations

2020 ◽  
Vol 153 (1) ◽  
pp. 014302
Author(s):  
Hongwei Li ◽  
Diego Troya ◽  
Arthur G. Suits
Keyword(s):  
Trajectory Calculations ◽  
Slice Imaging

Refinement of state-resolved models for chemical kinetics using the data of trajectory calculations

2018 ◽  
Vol 19 (3) ◽  
pp. 1-14 ◽  
Author(s):  
Elena V. Kustova ◽  
◽  
Aleksei S. Savelev ◽  
Anastasia A. Lukasheva ◽  
◽  
...  
Keyword(s):  
Chemical Kinetics ◽  
Trajectory Calculations

Convergence Properties of Quasiclassical Trajectory Calculations on Dynamics of Autoionization Event in He(23S)-D2 Penning Ionization

1997 ◽  
Vol 62 (2) ◽  
pp. 154-171 ◽  
Author(s):  
Jan Vojtík ◽  
Richard Kotal
Keyword(s):  
Branching Ratios ◽  
Classical Trajectory ◽  
Vibrational States ◽  
Penning Ionization ◽  
Trajectory Calculations ◽  
Quantum Mechanical Treatment ◽  
Total Ionization ◽  
Vibrational Levels ◽  
Degree Of Convergence ◽  
Product Branching

An analysis of the degree of convergence of theoretical pictures of the dynamics of the autoionization event He(23S)-D2(v" = 0) -> [He...D2+(v')] + e is presented for a number of batches of Monte Carlo calculations differing in the number of the trajectories run. The treatment of the dynamics consists in 2D classical trajectory calculations based on static characteristics which include a quantum mechanical treatment of the perturbed D2(v" = 0) and D2+(v') vibrational motion. The vibrational populations are dynamical averages over the local widths of the He(23S)-D2(v" = 0) state with respect to autoionization to D2+(...He) in its v'th vibrational level and the Penning electron energies are related to the local differences between the energies of the corresponding perturbed D2(v" = 0)(...He*) and D2+(v')(...He) vibrational states. Special attention is paid to the connection between the requirements on the degree of convergence of the classical trajectory picture of the event and the purpose of the calculations. Information is obtained regarding a scale of the trajectory calculations required for physically sensible applications of the model to an interpretation of different type of experiments on the system: total ionization cross section measurements, Penning ionization electron spectra, subsequent 3D classical trajectory calculations of branching ratios of the products of the postionization collision process, and interpretation of electron ion coincidence measurements of the product branching ratios for individual vibrational levels of the nascent Penning ion.

Impact of Consistent Semi-Lagrangian Trajectory Calculations on Numerical Weather Prediction Performance

2017 ◽  
Vol 145 (10) ◽  
pp. 4127-4150 ◽  
Author(s):  
Syed Zahid Husain ◽  
Claude Girard
Keyword(s):  
Numerical Weather Prediction ◽  
Numerical Experiments ◽  
Prediction Models ◽  
Weather Prediction ◽  
Forecast Accuracy ◽  
Multiscale Model ◽  
Dynamical Equations ◽  
Numerical Weather ◽  
Trajectory Calculation ◽  
Trajectory Calculations

Inconsistencies may arise in numerical weather prediction models—that are based on semi-Lagrangian advection—when the governing dynamical and the kinematic trajectory equations are discretized in a dissimilar manner. This study presents consistent trajectory calculation approaches, both in the presence and absence of off-centering in the discretized dynamical equations. Both uniform and differential off-centering in the discretized dynamical equations have been considered. The proposed consistent trajectory calculations are evaluated using numerical experiments involving a nonhydrostatic two-dimensional theoretical mountain case and hydrostatic global forecasts. The experiments are carried out using the Global Environmental Multiscale model. Both the choice of the averaging method for approximating the velocity integral in the discretized trajectory equations and the interpolation scheme for calculating the departure positions are found to be important for consistent trajectory calculations. Results from the numerical experiments confirm that the proposed consistent trajectory calculation approaches not only improve numerical consistency, but also improve forecast accuracy.

Particle trajectory calculations using finite element electromagnetic field maps

1988 ◽  
Vol 24 (6) ◽  
pp. 3126-3128 ◽  
Author(s):  
M.D.N. Lunney ◽  
R.B. Moore ◽  
J.P. Webb ◽  
B. Forghani
Keyword(s):  
Finite Element ◽  
Electromagnetic Field ◽  
Particle Trajectory ◽  
Trajectory Calculations
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