Coriolis coupling effects on energy transfer: classical-trajectories analysis for CO2 + Ar collisions

2007 ◽  
Vol 85 (11) ◽  
pp. 983-988 ◽  
Author(s):  
E Borges ◽  
J P Braga
Keyword(s):  
Energy Transfer ◽  
Initial Conditions ◽  
Normal Modes ◽  
Coriolis Coupling ◽  
Coupling Energy ◽  
Rotational States ◽  
Quantum Numbers ◽  
Classical Trajectories ◽  
Vibration Rotation ◽  
Made In

Energy transfer on CO2 + Ar collisions is studied by performing classical-trajectories simulations in a non-rigid potential-energy surface. Partition of molecular kinetic energy into vibration, rotation, and Coriolis coupling is made in a Cartesian coordinates system, coupled to vibrational normal modes. Initial atomic translational energies are selected from a range of 0.004–0.4 au, and initial molecular rotational states are fixed at rotational quantum numbers j, equal to 1, 20, 40, and 60. Effects of these different initial conditions are investigated, and the Coriolis influence on the energy transferred is analyzed.Key words: Coriolis coupling, energy, classical trajectories.

scholarly journals Effects of the Vibrational Motion of XHY–ON the Post-Photo Detachment Dissociation Dynamics of the XHY Complex (X, Y = Br, I)

2014 ◽  
Vol 17 (3) ◽  
pp. 67-79
Author(s):  
Vivianne K. Ocampo-Restrepo ◽  
Julio C. Arce ◽  
José G. López
Keyword(s):  
Potential Energy ◽  
Energy Surface ◽  
Initial Conditions ◽  
Normal Modes ◽  
Classical Trajectory ◽  
Vibrational Motion ◽  
Dissociation Process ◽  
Quantum Numbers ◽  
Vertical Transition ◽  
Dissociation Dynamics

We explore the effects of the transition-state vibrational motions on the dynamics of the reaction X + HY →[XHY]‡→XH + Y with X and Y = Br, I. We performed simulations of the dissociation process of the unstable XHY complex using a classical trajectory methodology, combined with London-Eyring-Polanyi-Sato (LEPS) potentials to approximate the interactions among the atoms in XHY. We employed an almost classical sampling scheme on the stable XHY–species to obtain the initial conditions for the trajectories by assuming a vertical transition to the XHY neutral potential energy surface. To study the effects of the vibrations, we considered different sets of initial conditions reflecting specific XHY normal mode excitations. We found an increase in the rotational energies of the product diatoms with an increase in the energy associated to the bending normal modes of XHY. Analysis of the vibrational distributions of the diatoms shows higher most probable vibrational quantum numbers for HBr when compared to HI. For some initial conditions, we also found approximately thermal rotational distributions in the product diatoms.

scholarly journals Shedding Light on Hexaquarks

2018 ◽  
Vol 46 ◽  
pp. 1860033 ◽  
Author(s):  
M. Bashkanov ◽  
T. Skorodko ◽  
H. Clement ◽  
D. P. Watts
Keyword(s):  
Internal Structure ◽  
Large Set ◽  
Physical Size ◽  
Decay Channels ◽  
Quantum Numbers ◽  
New Findings ◽  
Reaction Channels ◽  
Experimental Side ◽  
Multiquark States ◽  
Made In

Several new findings in the four, five and six quark systems reheat the interest in the field of multiquark states (beyond the trivial [Formula: see text] and [Formula: see text]). A lot of progress has recently been made in the 6q sector, on both the theoretical and experimental side. A resonance like structure observed in double-pionic fusion to the deuteron, at M = 2.38 GeV with [Formula: see text] = 70 MeV and [Formula: see text] has been consistently observed in a wealth of reaction channels, supporting the existence of a resonant dibaryon state - the [Formula: see text]. These studies include measurement of all the principle strong decay channels in pn collisions in the quasifree mode by the WASA-at-COSY and HADES collaborations. The internal structure of the [Formula: see text] is largely unknown. It can contain various ”hidden color” 6q configurations, [Formula: see text] molecular states with angular momentum L = 0,2,4,6 as well as meson-assisted dressed dibaryon structures. The large set of experimental data obtained to date gives some constraints on the internal structure of the [Formula: see text] dibaryon, but does not settle the issue. The [Formula: see text] is the only multiquark state which can be produced copiously at current facilities, offering unique access to information beyond its basic quantum numbers, particularly its physical size and internal structure.

On the Vibration–Rotation Energy Transfer of Fast Rotating Molecules

1974 ◽  
Vol 52 (10) ◽  
pp. 854-860 ◽  
Author(s):  
W. G. Tam
Keyword(s):  
Energy Transfer ◽  
Classical Theory ◽  
Semiclassical Theory ◽  
Vibration Rotation ◽  
Rotation Energy ◽  
Fast Rotating

A semiclassical theory of the vibration–rotation energy transfer of fast rotating molecules is presented. The formulation is based on the same model as that of Shin's classical theory. The semiclassical theory is simpler to derive and more rigorous. We show that it necessarily gives more accurate results than the classical theory. Applications to the systems HF and DF indicate that the two theories agree reasonably well in these cases.

Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 μm

2009 ◽  
Vol 131 (11) ◽  
pp. 114301 ◽  
Author(s):  
Badr Amyay ◽  
Séverine Robert ◽  
Michel Herman ◽  
André Fayt ◽  
Balakrishna Raghavendra ◽  
...  
Keyword(s):  
Emission Spectra ◽  
Global Model ◽  
Coriolis Coupling ◽  
Rotation Pattern ◽  
Vibration Rotation

Thermoacoustic interplay between intrinsic thermoacoustic and acoustic modes: non-normality and high sensitivities

2019 ◽  
Vol 878 ◽  
pp. 190-220 ◽  
Author(s):  
Francesca M. Sogaro ◽  
Peter J. Schmid ◽  
Aimee S. Morgans
Keyword(s):  
Time Domain ◽  
Time Scale ◽  
Initial Conditions ◽  
Normal Modes ◽  
Time Domain Analysis ◽  
Normal Behaviour ◽  
Optimal Perturbation ◽  
Acoustic Modes ◽  
Energy Growth ◽  
The Time Domain

This study analyses the interplay between classical acoustic modes and intrinsic thermoacoustic (ITA) modes in a simple thermoacoustic system. The analysis is performed using a frequency-domain low-order network model as well as a time-domain spatially discretised model. Anti-correlated modal sensitivities are found to arise due to a pairwise interplay between acoustic and ITA modes. The magnitude of the sensitivities increases as the interplay between the modes grows stronger. The results show a global behaviour of the modes linked to the presence of exceptional points in the spectrum. The time-domain analysis results in a delay-differential equation and allows the investigation of non-normal behaviour and its consequences. Pseudospectral analysis reveals that energy amplification is crucially linked to an interplay between acoustic and ITA modes. While higher non-orthogonality between two modes is correlated with peaks in modal sensitivity, transient energy growth does not necessarily involve the most sensitive modes. In particular, growth estimates based on the Kreiss constant demonstrate that transient amplification relies critically on the proximity of the non-normal modes to the imaginary axis. The time scale for transient amplification is identified as the flame time delay, which is further corroborated by determining the optimal initial conditions responsible for the bulk of the non-modal energy growth. The flame is identified as an active and dominant contributor to energy gain. The frequency of the optimal perturbation matches the acoustic time scale, once more confirming an interplay between acoustic and ITA structures. Flame-based amplification factors of two to five are found, which are significant when feeding into the acoustic dynamics and eventually triggering nonlinear limit-cycle behaviour.

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