Structure and dynamics of amphiphilic Janus spheres and spherocylinders under shear

Soft Matter ◽  
2020 ◽  
Vol 16 (2) ◽  
pp. 476-486 ◽  
Author(s):  
Yusei Kobayashi ◽  
Noriyoshi Arai ◽  
Arash Nikoubashman
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structure Formation ◽  
Colloidal Dispersions ◽  
Hydrodynamic Interactions ◽  
Flow Properties ◽  
Structure And Dynamics ◽  
Dynamics Simulations

We study the structure formation and flow properties of colloidal dispersions comprised of Janus spheres, Janus spherocylinders, and their mixtures, using hybrid molecular dynamics simulations that take into account hydrodynamic interactions.

scholarly journals Membrane potential and dynamics in a ternary lipid mixture: insights from molecular dynamics simulations

2018 ◽  
Vol 20 (23) ◽  
pp. 15841-15851 ◽  
Author(s):  
Xubo Lin ◽  
Vinay Nair ◽  
Yong Zhou ◽  
Alemayehu A. Gorfe
Keyword(s):  
Molecular Dynamics ◽  
Membrane Potential ◽  
Molecular Dynamics Simulations ◽  
Transmembrane Potential ◽  
Lipid Mixture ◽  
Structure And Dynamics ◽  
Head Groups ◽  
Acyl Chains ◽  
Dynamics Simulations

Transmembrane potential modulates the structure and dynamics of lipid head-groups and acyl chains.

Structure and dynamics of gold nanoparticles decorated with chitosan–gentamicin conjugates: ReaxFF molecular dynamics simulations to disclose drug delivery

2019 ◽  
Vol 21 (24) ◽  
pp. 13099-13108 ◽  
Author(s):  
Susanna Monti ◽  
Jiya Jose ◽  
Athira Sahajan ◽  
Nandakumar Kalarikkal ◽  
Sabu Thomas
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulations ◽  
Atomic Scale ◽  
Functionalized Gold Nanoparticles ◽  
Structure And Dynamics ◽  
Antibiotic Drug ◽  
Dynamics Simulations

Functionalized gold nanoparticles for antibiotic drug delivery: from the nanoscale to the atomic scale.

The pore solution of cement-based materials: structure and dynamics of water and ions from molecular simulations

2019 ◽  
Vol 21 (21) ◽  
pp. 11111-11121 ◽  
Author(s):  
Tulio Honorio ◽  
Farid Benboudjema ◽  
Thierry Bore ◽  
Mehdi Ferhat ◽  
Eric Vourc'h
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pore Solution ◽  
Molecular Simulations ◽  
Structure And Dynamics ◽  
Cement Based Materials ◽  
Dynamics Simulations

The structure and dynamics of water and ions present in pore solutions are studied using molecular dynamics simulations.

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