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

Molecular dynamics simulation of the transition from dispersed to solid phase

2004 ◽  
Vol 69 (3) ◽  
Author(s):  
A. Chakrabarti ◽  
D. Fry ◽  
C.M. Sorensen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid Phase ◽  
Dynamics Simulation

Molecular Dynamics Simulation of A Langmuir Monolayer

1991 ◽  
Vol 237 ◽  
Author(s):  
James P. Bareman ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Langmuir Monolayer ◽  
High Density ◽  
Dynamics Simulation ◽  
Density Profiles ◽  
Molecular Dynamics Calculations

AbstractMolecular dynamics calculations were carried out for a Langmuir monolayer at high density. A model was employed in which the motions of both the amphiphiles and the water are allowed, enabling investigation of the details of the water-monolayer interaction and the structure of the interface. Results are presented for the density profiles of the water and the amphiphiles and for the distribution of gauche defects.

Molecular Organization of Nalidixate Conjugated Calixarenes in Bacterial Model Membranes Probed by Molecular Dynamics Simulation and Langmuir Monolayer Studies

2015 ◽  
Vol 119 (7) ◽  
pp. 2990-3000 ◽  
Author(s):  
Beata Korchowiec ◽  
Jacek Korchowiec ◽  
Marcelina Gorczyca ◽  
Jean-Bernard Regnouf de Vains ◽  
Ewa Rogalska
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Langmuir Monolayer ◽  
Model Membranes ◽  
Dynamics Simulation ◽  
Molecular Organization ◽  
Bacterial Model

scholarly journals Direct molecular dynamics simulation of liquid-solid phase equilibria for two-component plasmas

2012 ◽  
Vol 85 (6) ◽  
Author(s):  
A. S. Schneider ◽  
J. Hughto ◽  
C. J. Horowitz ◽  
D. K. Berry
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Phase Equilibria ◽  
Solid Phase ◽  
Dynamics Simulation ◽  
Two Component

Solid−solid phase transition of tungsten induced by high pressure: A molecular dynamics simulation

2020 ◽  
Vol 30 (11) ◽  
pp. 2980-2993
Author(s):  
Xiao-zhen DENG ◽  
Lin LANG ◽  
Yun-fei MO ◽  
Ke-jun DONG ◽  
Ze-an TIAN ◽  
...  
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
High Pressure ◽  
Molecular Dynamics Simulation ◽  
Solid Phase ◽  
Dynamics Simulation ◽  
Solid Phase Transition

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.

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