Molecular dynamics simulations of lattice site preference and phase separation in B2-NiAl with Pt addition

2018 ◽  
Vol 740 ◽  
pp. 863-869 ◽  
Author(s):  
Yuanyuan Cui ◽  
Hongfei Chen ◽  
Guang Yang ◽  
Liya Ye ◽  
Bin Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Molecular Dynamics Simulations ◽  
Lattice Site ◽  
Site Preference ◽  
Dynamics Simulations

In silico phase separation in the presence of GM1 in ternary and quaternary lipid bilayers

2015 ◽  
Vol 17 (26) ◽  
pp. 17130-17139 ◽  
Author(s):  
Ipsita Basu ◽  
Chaitali Mukhopadhyay
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
In Silico ◽  
Coarse Grain ◽  
Liquid Ordered ◽  
Dynamics Simulations ◽  
Self Aggregation ◽  
Spontaneous Phase

Using coarse grain molecular dynamics simulations, the spontaneous phase separation in the ternary (POPC [1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine]/cholesterol/GM1) and quaternary (POPC/PSM[palmitoyl sphingomyelin]/cholesterol/GM1) lipid bilayers into liquid ordered (Lo) and liquid disordered (Ld) domains, due to self-aggregation of GM1 molecules and co-localization of cholesterol with GM1 in accordance with experiments, is studied.

scholarly journals Imaging phase separation in model lipid membranes through the use of BODIPY based molecular rotors

2015 ◽  
Vol 17 (28) ◽  
pp. 18393-18402 ◽  
Author(s):  
Michael R. Dent ◽  
Ismael López-Duarte ◽  
Callum J. Dickson ◽  
Niall D. Geoghegan ◽  
Jonathan M. Cooper ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Fluorescence Spectroscopy ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Lipid Membranes ◽  
Molecular Rotors ◽  
Model Lipid Membranes ◽  
Dynamics Simulations

Viscosity in the phase-separated lipid bilayers is investigated through the use of fluorescence spectroscopy and molecular dynamics simulations.

scholarly journals Molecular dynamics simulations of phase separation in the presence of surfactants

1994 ◽  
Vol 50 (2) ◽  
pp. 1243-1252 ◽  
Author(s):  
Mohamed Laradji ◽  
Ole G. Mouritsen ◽  
Søren Toxvaerd ◽  
Martin J. Zuckermann
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

scholarly journals Aging phenomena during phase separation in fluids: decay of autocorrelation for vapor–liquid transitions

Soft Matter ◽  
2019 ◽  
Vol 15 (23) ◽  
pp. 4743-4750 ◽  
Author(s):  
Sutapa Roy ◽  
Arabinda Bera ◽  
Suman Majumder ◽  
Subir K. Das
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Molecular Dynamics Simulations ◽  
Single Component ◽  
Relaxation Phenomena ◽  
Lennard Jones ◽  
System P ◽  
Dynamics Simulations ◽  
Aging Phenomena ◽  
Vapor Liquid

We performed molecular dynamics simulations to study relaxation phenomena during vapor–liquid transitions in a single component Lennard-Jones system.

scholarly journals Phase separation in H2O:N2 mixture: Molecular dynamics simulations using atomistic force fields

2007 ◽  
Vol 126 (4) ◽  
pp. 044510 ◽  
Author(s):  
Amitesh Maiti ◽  
Richard H. Gee ◽  
Sorin Bastea ◽  
Laurence E. Fried
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Molecular Dynamics Simulations ◽  
Force Fields ◽  
Dynamics Simulations
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