Molecular Dynamics Simulations of the Interactions of Excited Electrons

1989 ◽  
Vol 157 ◽  
Author(s):  
A. M. Mazzone
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Time Evolution ◽  
Electron Gas ◽  
Excited Electron ◽  
Collective Behaviour ◽  
Electron Interaction ◽  
Quantum Mechanical ◽  
Quantum Mechanical Representation ◽  
Dynamics Simulations

ABSTRACTIn this work the processes of electron-electron interaction taking place in a highly excited electron gas are analyzed on the basis of molecular dynamics simulations. The time evolution of the system is described by using either classic mechanics or a quantum mechanical representation. New aspects of the collective behaviour of the particles are born out by the simulations.

scholarly journals Hybrid Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of HIV-1 Integrase/Inhibitor Complexes

2007 ◽  
Vol 93 (10) ◽  
pp. 3613-3626 ◽  
Author(s):  
Nadtanet Nunthaboot ◽  
Somsak Pianwanit ◽  
Vudhichai Parasuk ◽  
Jerry O. Ebalunode ◽  
James M. Briggs ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Integrase Inhibitor ◽  
Quantum Mechanical ◽  
Dynamics Simulations ◽  
Hiv 1

scholarly journals Microstructure formation and macroscopic dynamics of ferrofluid emulsion in rotating magnetic field

2018 ◽  
Vol 185 ◽  
pp. 09004 ◽  
Author(s):  
Anastasia Kolesnikova ◽  
Arthur Zakinyan ◽  
Yuri Dikansky
Keyword(s):  
Magnetic Field ◽  
Molecular Dynamics ◽  
Field Strength ◽  
Molecular Dynamics Simulations ◽  
Time Evolution ◽  
Formation Process ◽  
Rotating Magnetic Field ◽  
Microstructure Formation ◽  
Water Emulsion ◽  
Dynamics Simulations

The ferrofluid-in-water emulsion has been produced and studied. The microstructure formation in a flat layer of such emulsion under the action of in-plane rotating magnetic field has been observed. Several microstructure types have been found such as chain-like aggregates, disc-like clusters, branching and space-occupying structures. The time evolution of the formation process has been analysed. The revealed microstructures have been computationally investigated by molecular dynamics simulations. The microstructure dynamics in ferrofluid emulsions manifests itself in macroscopic mechanical effects. We analysed the appearance of macroscopic torque on a ferrofluid emulsion sample in a rotating magnetic field. The value of the torque has been measured as a function of magnetic field strength and frequency.

Quantum Mechanical and Molecular Dynamics Simulations of Dual-Amino-Acid Ionic Liquids for CO2 Capture

2016 ◽  
Vol 120 (49) ◽  
pp. 27734-27745 ◽  
Author(s):  
Abdul Rajjak Shaikh ◽  
Hamed Karkhanechi ◽  
Eiji Kamio ◽  
Tomohisa Yoshioka ◽  
Hideto Matsuyama
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Amino Acid ◽  
Molecular Dynamics Simulations ◽  
Co2 Capture ◽  
Quantum Mechanical ◽  
Dynamics Simulations
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