Molecular dynamics simulation of a Langmuir–Blodgett film

1991 ◽  
Vol 94 (12) ◽  
pp. 8390-8401 ◽  
Author(s):  
M. A. Moller ◽  
D. J. Tildesley ◽  
K. S. Kim ◽  
N. Quirke
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Blodgett Film ◽  
Langmuir Blodgett ◽  
Langmuir Blodgett Film

Molecular Dynamics Simulation of a Langmuir-Blodgett Patch

1996 ◽  
Vol 18 (5) ◽  
pp. 277-301 ◽  
Author(s):  
M. J. Callaway ◽  
D. J. Tildesley ◽  
N. Quirke
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Langmuir Blodgett

Molecular Dynamics Study of A Model Langmuir-Blodgett Film

1988 ◽  
Vol 141 ◽  
Author(s):  
James P. Bareman ◽  
Gianni Cardini ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Room Temperature ◽  
Structural Features ◽  
Head Group ◽  
Angle Distribution ◽  
Blodgett Film ◽  
Langmuir Blodgett ◽  
Planar Substrate ◽  
Molecular Dynamics Calculations ◽  
Langmuir Blodgett Film

AbstractMolecular dynamics calculations have been carried out on a primitive model of a Langmuir-Blodgett film. The model consists of a patch of 151 molecules, each with a head group and a 19 pseudoatom tail, physisorbed on a planar substrate at room temperature. The aggregated patch is found to be a stable entity for the duration of the calculation (200 ps), with structural features similar to those found in previous calculations on a monolayer system which employed periodic boundary conditions but no explicit headgroup. Results are presented for the density distribution normal to the surface, the average chain tilt angle distribution and for the number of gauche defects.

Behavior of a Peptide During a Langmuir–Blodgett Compression Isotherm: A Molecular Dynamics Simulation Study

2017 ◽  
Vol 122 (1) ◽  
pp. 515-521 ◽  
Author(s):  
Benedetta Di Napoli ◽  
Claudia Mazzuca ◽  
Paolo Conflitti ◽  
Mariano Venanzi ◽  
Antonio Palleschi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Compression Isotherm ◽  
Langmuir Blodgett
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