Abstract:
Selectivity is an important phenomenon in chemical reaction dynamics. This can
be quantified by the branching ratio of the trajectories that visit one or the other well to the
total number of trajectories in a system with a potential with two sequential index-1 saddles
and two wells (top well and bottom well). In our case, the relative branching ratio is 1:1 because
of the symmetry of our potential energy surface. The mechanisms of transport and the behavior
of the trajectories in this kind of systems have been studied recently. In this paper we study
the time evolution after the selectivity as energy varies using periodic orbit dividing surfaces.
We investigate what happens after the first visit of a trajectory to the region of the top or the
bottom well for different values of energy. We answer the natural question: What is the destiny
of these trajectories?
Keywords:
phase space structure, dividing surfaces, chemical physics, periodic orbits, homoclinic
and heteroclinic orbits.
Citation:
Douglas Haigh, Matthaios Katsanikas, Makrina Agaoglou, Stephen Wiggins, “The Time Evolution of the Trajectories After the Selectivity
in a Symmetric Potential Energy Surface
with a Post-transition-state Bifurcation”, Regul. Chaotic Dyn., 26:6 (2021), 763–774
\Bibitem{HaiKatAga21}
\by Douglas Haigh, Matthaios Katsanikas, Makrina Agaoglou, Stephen Wiggins
\paper The Time Evolution of the Trajectories After the Selectivity
in a Symmetric Potential Energy Surface
with a Post-transition-state Bifurcation
\jour Regul. Chaotic Dyn.
\yr 2021
\vol 26
\issue 6
\pages 763--774
\mathnet{http://mi.mathnet.ru/rcd1145}
\crossref{https://doi.org/10.1134/S1560354721060137}
\isi{https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=Publons&SrcAuth=Publons_CEL&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=000727365900013}
\scopus{https://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-85111225438}
Linking options:
https://www.mathnet.ru/eng/rcd1145
https://www.mathnet.ru/eng/rcd/v26/i6/p763
This publication is cited in the following 5 articles:
M. Katsanikas, M. Hillebrand, Ch. Skokos, S. Wiggins, “A new type of dynamical matching in an asymmetric Caldera potential energy surface”, Chemical Physics Letters, 811 (2023), 140208
Makrina Agaoglou, Matthaios Katsanikas, Stephen Wiggins, “The Influence of a Parameter that Controls the Asymmetry
of a Potential Energy Surface with an Entrance Channel
and Two Potential Wells”, Regul. Chaotic Dyn., 27:2 (2022), 232–241
Matthaios Katsanikas, Malcolm Hillebrand, Charalampos Skokos, Stephen Wiggins, “The Influence of Asymmetry on the Dynamics Associated with a Caldera Potential Energy Surface”, Int. J. Bifurcation Chaos, 32:12 (2022)
Matthaios Katsanikas, Makrina Agaoglou, Stephen Wiggins, “Bifurcation of Dividing Surfaces Constructed from Period-Doubling Bifurcations of Periodic Orbits in a Caldera Potential Energy Surface”, Int. J. Bifurcation Chaos, 32:07 (2022)
Katsanikas M., Agaoglou M., Wiggins S., “Bifurcation of Dividing Surfaces Constructed From a Pitchfork Bifurcation of Periodic Orbits in a Symmetric Potential Energy Surface With a Post-Transition-State Bifurcation”, Int. J. Bifurcation Chaos, 31:14 (2021), 2130041
Citation in format AMSBIB
Contact us: