Quantum Mode Coupling Theory and Path Integral Monte Carlo

2003 ◽  
Author(s):  
Eran Rabani
Keyword(s):  
Monte Carlo ◽  
Path Integral ◽  
Mode Coupling ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Path Integral Monte Carlo

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

Constructing accurate interaction potentials to describe the microsolvation of protonated methane by helium atoms

2017 ◽  
Vol 19 (12) ◽  
pp. 8307-8321 ◽  
Author(s):  
Dennis Kuchenbecker ◽  
Felix Uhl ◽  
Harald Forbert ◽  
Georg Jansen ◽  
Dominik Marx
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Path Integral ◽  
Interaction Potential ◽  
Stationary Point ◽  
Path Integral Monte Carlo ◽  
Interaction Potentials ◽  
Helium Atoms

An ab initio-derived interaction potential is derived and used in path integral Monte Carlo simulations to investigate stationary-point structures of CH5+ microsolvated by up to four helium atoms.

scholarly journals Mode-coupling analysis of residual stresses in colloidal glasses

Soft Matter ◽  
2014 ◽  
Vol 10 (27) ◽  
pp. 4822-4832 ◽  
Author(s):  
S. Fritschi ◽  
M. Fuchs ◽  
Th. Voigtmann
Keyword(s):  
Glass Transition ◽  
Shear Flow ◽  
Residual Stresses ◽  
Mode Coupling ◽  
Nonlinear Response ◽  
Density Fluctuations ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Coupling Analysis ◽  
Soft Glasses

Soft glasses produced after the cessation of shear flow exhibit persistent residual stresses. Mode coupling theory of the glass transition explains their history dependence in terms of nonequilibrium, nonlinear-response relaxation of density fluctuations.

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