On equipartition of energy and integrals of Generalized Langevin Equations with generalized Rouse kernel

2017 ◽  
Vol 15 (2) ◽  
pp. 539-554 ◽  
Author(s):  
Christel Hohenegger
Keyword(s):  
Langevin Equations ◽  
Equipartition Of Energy ◽  
Generalized Langevin Equations

Interface Conditions for Coupled Atomistic and Continuum Models of Solids for Dynamics Problems at Finite Temperature

2006 ◽  
Vol 978 ◽  
Author(s):  
Xiantao Li ◽  
Weinan E
Keyword(s):  
Molecular Dynamics ◽  
Boundary Conditions ◽  
Finite Temperature ◽  
Langevin Equations ◽  
Continuum Models ◽  
Interface Conditions ◽  
System Temperature ◽  
Dynamics Simulations ◽  
Dynamics Problems ◽  
Generalized Langevin Equations

AbstractWe will present a general formalism for deriving boundary conditions for molecular dynamics simulations of crystalline solids in the context of atomistic/continuum coupling. These boundary conditions are modeled by generalized Langevin equations, derived from Mori-Zwanzig's formalism. Such boundary conditions are useful in suppressing phonon reflections, and maintaining the system temperature.

Generalized Langevin Equations

1971 ◽  
Vol 54 (8) ◽  
pp. 3541-3546 ◽  
Author(s):  
J. Albers ◽  
J. M. Deutch ◽  
Irwin Oppenheim
Keyword(s):  
Langevin Equations ◽  
Generalized Langevin Equations
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