scholarly journals Computer simulation study of the subquadratic quantum number dependence of vibrational overtone dephasing: Comparison with the mode-coupling theory predictions

1999 ◽  
Vol 110 (1) ◽  
pp. 539-550 ◽  
Author(s):  
N. Gayathri ◽  
Biman Bagchi
Keyword(s):  
Computer Simulation ◽  
Quantum Number ◽  
Simulation Study ◽  
Mode Coupling ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Computer Simulation Study ◽  
Vibrational Overtone

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.

Application of mode-coupling theory to solvation dynamics

1996 ◽  
Vol 54 (3) ◽  
pp. 2786-2796 ◽  
Author(s):  
Jangseok Ma ◽  
David Vanden Bout ◽  
Mark Berg
Keyword(s):  
Mode Coupling ◽  
Solvation Dynamics ◽  
Coupling Theory ◽  
Mode Coupling Theory
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