Statistical temperature molecular dynamics simulations applied to phase transitions in liquid crystalline systems

2010 ◽  
Vol 132 (22) ◽  
pp. 224902 ◽  
Author(s):  
Juho S. Lintuvuori ◽  
Mark R. Wilson
Keyword(s):  
Molecular Dynamics ◽  
Phase Transitions ◽  
Molecular Dynamics Simulations ◽  
Liquid Crystalline ◽  
Dynamics Simulations

Substrate induced freezing, melting and depinning transitions in two-dimensional liquid crystalline systems

2022 ◽  
Author(s):  
Bharti bharti ◽  
Debabrata Deb
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Liquid Crystalline ◽  
Two Dimensional ◽  
One Dimensional ◽  
The One ◽  
Dynamics Simulations

We use molecular dynamics simulations to investigate the ordering phenomena in two-dimensional (2D) liquid crystals over the one-dimensional periodic substrate (1DPS). We have used Gay-Berne (GB) potential to model the...

The EcCLC antiporter embedded in the lipidic liquid crystalline films – molecular dynamics simulations and electrochemistry

2021 ◽  
Author(s):  
Przemysław Miszta ◽  
Ewa Nazaruk ◽  
Dorota Nieciecka ◽  
Mariusz Możajew ◽  
Pawel Krysinski ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Liquid Crystalline ◽  
Cubic Phases ◽  
Crystalline Films ◽  
Dynamics Simulations

Lipidic-liquid crystalline nanostructures (lipidic cubic phases), which are biomimetic and stable in excess of water, were used as a convenient environment to investigate the transport properties of the membrane antiporter...

scholarly journals Thermodynamics at the nanoscale: phase diagrams of nickel–carbon nanoclusters and equilibrium constants for phase transitions

Nanoscale ◽  
2014 ◽  
Vol 6 (20) ◽  
pp. 11981-11987 ◽  
Author(s):  
Yannick Engelmann ◽  
Annemie Bogaerts ◽  
Erik C. Neyts
Keyword(s):  
Molecular Dynamics ◽  
Phase Transitions ◽  
Molecular Dynamics Simulations ◽  
Phase Diagrams ◽  
Equilibrium Constants ◽  
Melting Behavior ◽  
Reactive Molecular Dynamics ◽  
Carbon Nanoclusters ◽  
Dynamics Simulations

Using reactive molecular dynamics simulations, the melting behavior of nickel–carbon nanoclusters is examined.

Molecular Dynamics Simulations of Liquid Crystalline Order for Tetramers of p-Hydroxybenzoic Acid

1994 ◽  
Vol 98 (31) ◽  
pp. 7685-7691 ◽  
Author(s):  
Johannes Huth ◽  
Thomas Mosell ◽  
Kai Nicklas ◽  
Alla Sariban ◽  
Juergen Brickmann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Crystalline ◽  
Hydroxybenzoic Acid ◽  
Crystalline Order ◽  
Dynamics Simulations
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