scholarly journals Kinetic Monte Carlo simulations applied to Li-ion and post Li-ion batteries: a key link in the multi-scale chain

2021 ◽  
Author(s):  
Edgardo Maximiliano Gavilán-Arriazu ◽  
Michael Mercer ◽  
Daniel E Barraco ◽  
Harry Hoster ◽  
Ezequiel Leiva
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Kinetic Monte Carlo ◽  
Li Ion Batteries ◽  
Multi Scale ◽  
Kinetic Monte Carlo Simulations ◽  
Li Ion

Modelisation of Precipitation in Concentrated Alloys

2011 ◽  
Vol 172-174 ◽  
pp. 303-308 ◽  
Author(s):  
Joel Lépinoux ◽  
Christophe Sigli
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Kinetic Monte Carlo ◽  
Binary Alloys ◽  
Multi Scale ◽  
Kinetic Monte Carlo Simulations

The modelling of precipitation is fairly trivial in very dilute binary alloys but remains a challenge in concentrated alloys. By comparing Kinetic Monte Carlo simulations and Cluster Dynamics calculations the difficulties are identified and solutions to link these two techniques are proposed to build an efficient multi-scale procedure.

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