Molecular dynamics of strongly coupled multichain Coulomb polymers in pure and salt-added Langevin fluids

1999 ◽  
Vol 110 (16) ◽  
pp. 8176-8188 ◽  
Author(s):  
Motohiko Tanaka ◽  
A. Yu Grosberg ◽  
Toyoichi Tanaka
Keyword(s):  
Molecular Dynamics ◽  
Strongly Coupled

Shear Flows in Two Dimensional Strongly Coupled Yukawa Liquids: A Large Scale Molecular Dynamics Study

2011 ◽  
Author(s):  
R. Ganesh ◽  
J. Ashwin ◽  
Vladimir Yu. Nosenko ◽  
Padma K. Shukla ◽  
Markus H. Thoma ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Large Scale ◽  
Shear Flows ◽  
Two Dimensional ◽  
Strongly Coupled

scholarly journals Diffusion in ultracold strongly coupled multiply charged plasma: Calculation by molecular dynamics method

2020 ◽  
Vol 1556 ◽  
pp. 012066
Author(s):  
A A Bobrov ◽  
A M Bunkov ◽  
S Ya Bronin ◽  
A B Klyarfeld ◽  
B B Zelener ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Strongly Coupled ◽  
Multiply Charged ◽  
Dynamics Method

scholarly journals Molecular dynamics study of the structure organization in a strongly coupled chain of charged particles

1997 ◽  
Vol 56 (5) ◽  
pp. 5798-5808 ◽  
Author(s):  
Motohiko Tanaka ◽  
A. Yu Grosberg ◽  
V. S. Pande ◽  
Toyoichi Tanaka
Keyword(s):  
Molecular Dynamics ◽  
Charged Particles ◽  
Strongly Coupled

scholarly journals Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling

2017 ◽  
Vol 114 (52) ◽  
pp. E11072-E11081 ◽  
Author(s):  
William K. Peters ◽  
David E. Couch ◽  
Benoit Mignolet ◽  
Xuetao Shi ◽  
Quynh L. Nguyen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Structural Changes ◽  
High Energy ◽  
High Energy Density ◽  
Conical Intersection ◽  
Reaction Pathways ◽  
Nonadiabatic Coupling ◽  
Strongly Coupled ◽  
Ultrafast Relaxation

Highly excited electronic states are challenging to explore experimentally and theoretically—due to the large density of states and the fact that small structural changes lead to large changes in electronic character with associated strong nonadiabatic dynamics. They can play a key role in astrophysical and ionospheric chemistry, as well as the detonation chemistry of high-energy density materials. Here, we implement ultrafast vacuum-UV (VUV)-driven electron–ion coincidence imaging spectroscopy to directly probe the reaction pathways of highly excited states of energetic molecules—in this case, methyl azide. Our data, combined with advanced theoretical simulations, show that photoexcitation of methyl azide by a 10-fs UV pulse at 8 eV drives fast structural changes and strong nonadiabatic coupling that leads to relaxation to other excited states on a surprisingly fast timescale of 25 fs. This ultrafast relaxation differs from dynamics occurring on lower excited states, where the timescale required for the wavepacket to reach a region of strong nonadiabatic coupling is typically much longer. Moreover, our theoretical calculations show that ultrafast relaxation of the wavepacket to a lower excited state occurs along one of the conical intersection seams before reaching the minimum energy conical intersection. These findings are important for understanding the unique strongly coupled non-Born–Oppenheimer molecular dynamics of VUV-excited energetic molecules. Although such observations have been predicted for many years, this study represents one of the few where such strongly coupled non-Born–Oppenheimer molecular dynamics of VUV-excited energetic molecules have been conclusively observed directly, making it possible to identify the ultrafast reaction pathways.

A molecular dynamics study of phase transition in strongly coupled pair-ion plasmas

2015 ◽  
Vol 22 (8) ◽  
pp. 082116 ◽  
Author(s):  
Swati Baruah ◽  
R. Ganesh ◽  
K. Avinash
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Strongly Coupled
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