scholarly journals An insight into de Vries behaviour of smectic liquid crystals from atomistic molecular dynamics simulations

2020 ◽  
Vol 8 (37) ◽  
pp. 13040-13052
Author(s):  
Kristian Poll ◽  
Mark T. Sims
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Smectic Liquid Crystals ◽  
Ferroelectric Liquid Crystal ◽  
De Vries ◽  
Dynamics Simulations ◽  
Insight Into

Atomistic molecular dynamics simulations of the ferroelectric liquid crystal 9HL replicate the experimentally observed de Vries behaviour, which is shown to arise due to differing tilting characteristics of molecular sub-units.

Mesophase transition induced by oscillatory shear in imidazolium-based ionic liquid crystals on molecular-dynamics simulations

2021 ◽  
Author(s):  
Min Liu ◽  
Hayato Shiba ◽  
Huashan Liu ◽  
Hailong Peng
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Liquid Crystal ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Oscillatory Shear ◽  
Ionic Liquid Crystals ◽  
Dynamics Simulations

Molecular dynamics simulations were performed on a 1-dodecyl-3-methylimidazolium hexafluorophosphate ([C$_{12}$mim][PF$_6$]) ionic liquid crystal (ILC) with an oscillatory shear. We found the oscillatory shear can both accelerate and suppress the mesophase...

Molecular dynamics of dilute binary chromonic liquid crystal mixtures

2017 ◽  
Vol 2 (3) ◽  
pp. 223-234 ◽  
Author(s):  
Oscar M. Matus Rivas ◽  
Alejandro D. Rey
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Binary Mixtures ◽  
Spontaneous Aggregation ◽  
Dynamics Simulations

The spontaneous aggregation of binary mixtures of lyotropic chromonic liquid crystals (LCLCs) was investigated using atomistic molecular dynamics simulations.

scholarly journals Insight into the origin of SARS-CoV-2 through structural analysis of receptor recognition: a molecular simulation study

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8718-8729
Author(s):  
Jixue Sun ◽  
Meijiang Liu ◽  
Na Yang
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Molecular Dynamics Simulations ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Receptor Recognition ◽  
Dynamics Simulations ◽  
Insight Into

The origin of SARS-CoV-2 through structural analysis of receptor recognition was investigated by molecular dynamics simulations.

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