Calculation of Long-Range Interactions in Molecular Dynamics and Monte Carlo Simulations

1997 ◽  
Vol 101 (24) ◽  
pp. 4322-4331 ◽  
Author(s):  
Xuedong Din ◽  
Efstathios E. Michaelides
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Long Range ◽  
Long Range Interactions

Atomistic Simulations of Damage Evolution in Silicon

1999 ◽  
Vol 568 ◽  
Author(s):  
Marius M. Buneat ◽  
Pavel Fastenko ◽  
Scott T. Dunham
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Long Range ◽  
Tight Binding ◽  
Atomistic Simulations ◽  
Spatial Correlations ◽  
Range Interaction ◽  
Lattice Monte Carlo ◽  
Long Range Interactions ◽  
High Doses

ABSTRACTWe have studied the damage annealing process using kinetic lattice Monte Carlo (KLMC) and molecular dynamics (MD) with initial damage distribution from Monte Carlo ion implant simulations. MD calculations find a long range interstitial vacancy interaction, as also seen in previous tight-binding molecular dynamics (TBMD) simulations.1 The influence of the long range interaction as well as the initial spatial correlations present in the implant damage are then analyzed with KLMC in the form of corrections to the +1 model. We find that both long range interactions and the initial spatial correlations are significant at low doses, while the effects disappear at high doses.

Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble

1996 ◽  
Vol 259 (3-4) ◽  
pp. 321-330 ◽  
Author(s):  
Ulrich H.E. Hansmann ◽  
Yuko Okamoto ◽  
Frank Eisenmenger
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Monte Carlo Simulations

Magnetic relaxation of xenon‐131 dissolved in benzene. A study by molecular dynamics and Monte Carlo simulations

1993 ◽  
Vol 98 (2) ◽  
pp. 1566-1578 ◽  
Author(s):  
M. Luhmer ◽  
D. van Belle ◽  
J. Reisse ◽  
M. Odelius ◽  
J. Kowalewski ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Magnetic Relaxation
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