Atomic-scale self-organization of Fe nanostripes on stepped Cu(111) surfaces: Molecular dynamics and kinetic Monte Carlo simulations

2008 ◽  
Vol 77 (8) ◽  
Author(s):  
N. N. Negulyaev ◽  
V. S. Stepanyuk ◽  
W. Hergert ◽  
P. Bruno ◽  
J. Kirschner
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Kinetic Monte Carlo ◽  
Atomic Scale ◽  
Self Organization ◽  
Kinetic Monte Carlo Simulations

Ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl–water interface

2014 ◽  
Vol 16 (41) ◽  
pp. 22545-22554 ◽  
Author(s):  
Jian-Cheng Chen ◽  
Bernhard Reischl ◽  
Peter Spijker ◽  
Nico Holmberg ◽  
Kari Laasonen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Kinetic Monte Carlo ◽  
Water Interface ◽  
Kinetic Monte Carlo Simulations

We have used ab initio molecular dynamics (AIMD) and Kinetic Monte Carlo simulations to study the interaction of water with the NaCl surface.

Kinetic Monte Carlo Simulations of Self-organization of Ge Islands on Si(001)

2021 ◽  
Author(s):  
Paramita Ghosh ◽  
Nidhi Gupta ◽  
Monika Dhankhar ◽  
Madhav Ranganathan
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Kinetic Monte Carlo ◽  
The Self ◽  
Self Organization ◽  
Kinetic Monte Carlo Simulation ◽  
Kinetic Monte Carlo Simulations

The self-organization of germanium islands on a silicon (001) substrate is studied using a lattice--based kinetic Monte Carlo simulation. These islands form spontaneously via Stranski-Krastanov mode during growth. The interplay...

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