Multicritical phase diagrams of the ferromagnetic spin- Blume–Emery–Griffiths model with repulsive biquadratic coupling including metastable phases: The cluster variation method and the path probability method with the point distribution

2008 ◽  
Vol 320 (1-2) ◽  
pp. 8-24 ◽  
Author(s):  
Mustafa Keskin ◽  
Osman Canko
Keyword(s):  
Phase Diagrams ◽  
Cluster Variation Method ◽  
Metastable Phases ◽  
Variation Method ◽  
Probability Method ◽  
Point Distribution ◽  
Cluster Variation ◽  
Path Probability Method

Multi-Scale Phase Field Simulation of Disorder-Order Transition, Combined with Cluster Variation and Path Probability Methods

2009 ◽  
Vol 631-632 ◽  
pp. 401-406
Author(s):  
Munekazu Ohno ◽  
Ying Chen ◽  
Tetsuo Mohri
Keyword(s):  
Phase Field ◽  
Cluster Variation Method ◽  
Field Method ◽  
Phase Field Method ◽  
Variation Method ◽  
Probability Method ◽  
Multi Scale ◽  
Probability Methods ◽  
Cluster Variation ◽  
Path Probability Method

Multi-scale simulation of ordering process from electronic, atomistic scales to microstructural scale was carried out by hybridizing Phase Field Method (PFM) and Cluster Variation Method (CVM). The hybrid model was applied to disorder-L10 ordering process in Fe-Pd system. Furthermore, computation of relaxation constants in the PFM was attempted based on Path Probability Method (PPM) which is the time evolution version of the CVM, within a linearized analysis of order-order relaxation process.

First-Principles Theory of Alloy Phase Diagrams

1988 ◽  
Vol 141 ◽  
Author(s):  
Alex Zunger ◽  
L. G. Ferreira ◽  
S.-H. Wei
Keyword(s):  
Phase Diagrams ◽  
First Principles ◽  
Low Temperatures ◽  
Local Density ◽  
Cluster Variation Method ◽  
Variation Method ◽  
Interaction Energies ◽  
Ordered Structures ◽  
Cluster Variation ◽  
Dependent Interaction

AbstractTemperature-composition phase diagrams of alloys are calculated by a new method combining (i) first principles total energy calculations (at T=0) for ordered structures, using the local density formalism, with (ii) finite-temperature statistical-mechanics approach (the Cluster Variation Method) to the solution of the multi-spin Ising model, using volume-dependent interaction energies obtained from (i). Novel features, including the appearance of metastable long-range ordered compounds at low temperatures are discovered.

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