scholarly journals Molecular Dynamics Simulation Study of Solvent and State of Charge Effects on Solid-Phase Structure and Counterion Binding in a Nitroxide Radical Containing Polymer Energy Storage Material

2016 ◽  
Vol 120 (45) ◽  
pp. 25639-25646 ◽  
Author(s):  
Travis W. Kemper ◽  
Thomas Gennett ◽  
Ross E. Larsen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid Phase ◽  
Nitroxide Radical ◽  
State Of Charge ◽  
Dynamics Simulation ◽  
Storage Material ◽  
Counterion Binding ◽  
Charge Effects ◽  
Energy Storage Material

scholarly journals Direct molecular dynamics simulation of liquid-solid phase equilibria for a three-component plasma

2012 ◽  
Vol 86 (6) ◽  
Author(s):  
J. Hughto ◽  
C. J. Horowitz ◽  
A. S. Schneider ◽  
Zach Medin ◽  
Andrew Cumming ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Phase Equilibria ◽  
Solid Phase ◽  
Dynamics Simulation ◽  
Component Plasma

The solid phase thermal decomposition and nanocrystal effect of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) via ReaxFF large-scale molecular dynamics simulation

2019 ◽  
Vol 21 (31) ◽  
pp. 17240-17252 ◽  
Author(s):  
Ke Zheng ◽  
Yushi Wen ◽  
Bing Huang ◽  
Jun Wang ◽  
Jin Chen ◽  
...  
Keyword(s):  
Shock Wave ◽  
Molecular Dynamics ◽  
Thermal Decomposition ◽  
Molecular Dynamics Simulation ◽  
Large Scale ◽  
Solid Phase ◽  
Wave Action ◽  
Combustion Reaction ◽  
Dynamics Simulation

The solid phase thermal decomposition and nanocrystal effect are extremely important to understand the ignition, combustion, reaction growth and buildup to detonation under shock wave action.

A DMPA Langmuir Monolayer Study:  From Gas to Solid Phase. An Atomistic Description by Molecular Dynamics Simulation

Langmuir ◽  
2008 ◽  
Vol 24 (5) ◽  
pp. 1823-1828 ◽  
Author(s):  
J. J. Giner-Casares ◽  
L. Camacho ◽  
M. T. Martín-Romero ◽  
J. J. López Cascales
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid Phase ◽  
Langmuir Monolayer ◽  
Dynamics Simulation
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