Influence of polymer flexibility on nanoparticle dynamics in semidilute solutions

Soft Matter ◽  
2019 ◽  
Vol 15 (6) ◽  
pp. 1260-1268 ◽  
Author(s):  
Renjie Chen ◽  
Ryan Poling-Skutvik ◽  
Michael P. Howard ◽  
Arash Nikoubashman ◽  
Sergei A. Egorov ◽  
...  
Keyword(s):  
Mode Coupling ◽  
Particle Collision ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Collision Dynamics ◽  
Semidilute Solutions ◽  
Dynamics Simulations ◽  
Nanoparticle Dynamics

The effects of polymer stiffness on nanoparticle dynamics in solution are probed using multi-particle collision dynamics simulations and mode-coupling theory.

scholarly journals Hard discs under steady shear: comparison of Brownian dynamics simulations and mode coupling theory

2009 ◽  
Vol 367 (1909) ◽  
pp. 5033-5050 ◽  
Author(s):  
Oliver Henrich ◽  
Fabian Weysser ◽  
Michael E. Cates ◽  
Matthias Fuchs
Keyword(s):  
Brownian Dynamics ◽  
Mode Coupling ◽  
Transition Density ◽  
Two Dimensions ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Stationary Structure ◽  
Homogeneous Shear Flow ◽  
Dynamics Simulations ◽  
Brownian Dynamics Simulations

Brownian dynamics simulations of bidisperse hard discs moving in two dimensions in a given steady and homogeneous shear flow are presented close to and above the glass transition density. The stationary structure functions and stresses of shear-melted glass are compared quantitatively to parameter-free numerical calculations of monodisperse hard discs using mode coupling theory within the integration through transients framework. Theory qualitatively explains the properties of the yielding glass but quantitatively overestimates the shear-driven stresses and structural anisotropies.

Slow Dynamics in Supercooled Water

1996 ◽  
Vol 455 ◽  
Author(s):  
Francesco Sciortino ◽  
Piero Tartaglia ◽  
Paola Gallo ◽  
Sow-Hsin Chen
Keyword(s):  
Mode Coupling ◽  
Transport Coefficients ◽  
Supercooled Water ◽  
Supercooled Liquids ◽  
The Self ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Slowing Down ◽  
Liquid Behavior ◽  
Dynamics Simulations

ABSTRACTWe review some recent results on the self-dynamics in deep supercooled (simulated) water, obtained by analyzing very long Molecular Dynamics simulations. We discuss the possibility of interpreting the observed slowing down of the dynamics in terms of Mode Coupling Theory for supercooled liquids and, at the same time, of associating the experimentally observed anomalies of the transport coefficients in water on lowering the temperature to the formation of long living cages. The so-called critical Angeli temperature TA in supercooled water could be interpreted as kinetic glass transition temperature, relaxing the need of a thermodynamic singularity for the explanation of the dynamic anomalies of liquid water. In the end we discuss the possibility that TA acts as cross-over temperature from fragile to strong liquid behavior.

scholarly journals On the Bauschinger effect in supercooled melts under shear: Results from mode coupling theory and molecular dynamics simulations

2013 ◽  
Vol 138 (12) ◽  
pp. 12A513 ◽  
Author(s):  
Fabian Frahsa ◽  
Amit Kumar Bhattacharjee ◽  
Jürgen Horbach ◽  
Matthias Fuchs ◽  
Thomas Voigtmann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Mode Coupling ◽  
Bauschinger Effect ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Dynamics Simulations
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