The Role of the Diffusion Mechanism in Models of the Evolution of Microstructure During Phase Separation

1998 ◽  
Vol 529 ◽  
Author(s):  
T.T. Rautialnen ◽  
A.P. Sutton

AbstractWe have studied phase separation and subsequent coarsening of the microstructure in a two-dimensional square lattice using a stochastic Monte Carlo model and a deterministic mean field model. The differences and similarities between these approaches are discussed. We have found that a realistic diffusion mechanism through a vacancy motion in Monte Carlo simulations is cruicial in producing different coarsening mechanisms over a range of temperatures. This cannot be captured by the mean field model, in which the transformation is governed by the minimization of a free energy functional.

2017 ◽  
Vol 19 (45) ◽  
pp. 30695-30702 ◽  
Author(s):  
Joaquin Miranda Mena ◽  
Thomas Gruhn

We employed density functional theory, Monte Carlo simulations and a mean field model to study phase separation in thermoelectric Ni(Ti,Zr)(Sb,Sn) half-Heusler materials, simultaneously alloyed in the (Ti,Zr)- and (Sb,Sn) sublattices.


2005 ◽  
Vol 349 (1-2) ◽  
pp. 143-154 ◽  
Author(s):  
Alessandro Pluchino ◽  
Giuseppe Andronico ◽  
Andrea Rapisarda

2014 ◽  
Vol 2014 (1) ◽  
pp. 13D02-0 ◽  
Author(s):  
J. N. Hu ◽  
A. Li ◽  
H. Shen ◽  
H. Toki

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