Molecular dynamics analog of the reverse Monte Carlo method

2001 ◽  
Vol 114 (5) ◽  
pp. 2027-2035 ◽  
Author(s):  
Gergely Tóth ◽  
András Baranyai
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Monte Carlo Method ◽  
Reverse Monte Carlo ◽  
Reverse Monte Carlo Method

Atomic Motion in Amorphous Ni81B19 Studied by Reverse Monte Carlo and Molecular Dynamics Simulation

1993 ◽  
Vol 321 ◽  
Author(s):  
Barend J. Thijsse ◽  
Leon Van Ee ◽  
Jilt Sietsma
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Glass Transition ◽  
Molecular Dynamics Simulation ◽  
Monte Carlo Method ◽  
Dynamics Simulation ◽  
Atomic Motion ◽  
Reverse Monte Carlo ◽  
Dynamics Simulations ◽  
Reverse Monte Carlo Method

ABSTRACTMolecular dynamics simulations of glassy Ni81B19, starting with a configuration obtained by the Reverse Monte Carlo Method, indicate a calorimetrie glass transition at 960 K and point to a significant change in the atomic dynamics between 960 and 1200 K. Above this range, normal liquid-like behavior is found; at lower temperatures, we find a residual diffusivity and cooperative atomic Motion. Atomic jumps are processes smeared out in time and space over continuous rather than discrete scales.

Molecular Modeling of Porous Carbons Using the Hybrid Reverse Monte Carlo Method

Langmuir ◽  
2006 ◽  
Vol 22 (24) ◽  
pp. 9942-9948 ◽  
Author(s):  
Surendra K. Jain ◽  
Roland J.-M. Pellenq ◽  
Jorge P. Pikunic ◽  
Keith E. Gubbins
Keyword(s):  
Monte Carlo ◽  
Molecular Modeling ◽  
Monte Carlo Method ◽  
Reverse Monte Carlo ◽  
Porous Carbons ◽  
Reverse Monte Carlo Method

Structural Modeling of Porous Carbons:  Constrained Reverse Monte Carlo Method

Langmuir ◽  
2003 ◽  
Vol 19 (20) ◽  
pp. 8565-8582 ◽  
Author(s):  
Jorge Pikunic ◽  
Christian Clinard ◽  
Nathalie Cohaut ◽  
Keith E. Gubbins ◽  
Jean-Michel Guet ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Structural Modeling ◽  
Reverse Monte Carlo ◽  
Porous Carbons ◽  
Reverse Monte Carlo Method

Some remarks on the reverse Monte Carlo method

1993 ◽  
Vol 191 (3-4) ◽  
pp. 217-219 ◽  
Author(s):  
W. van der Lugt ◽  
M. Winnink
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Reverse Monte Carlo ◽  
Reverse Monte Carlo Method
Sign in / Sign up

Export Citation Format

Share Document