Theoretical Investigation of Coarsening Process of L1&lt;SUB&gt;0&lt;/SUB&gt;-Ordered Domain Based on Phase Field Method and Cluster Variation Method

Ohno, Munekazu; Mohri, Tetsuo

doi:10.2320/matertrans.43.2189

Cited by 7 publications

(5 citation statements)

References 16 publications

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“…4 may not be identified as the incubation time for nucleation reactions. In the previous analyses [7][8][9][10][11] it was revealed that various kinetics processes with different time constants were involved in the calculated L1 0 -disorder kinetics. These include atomistic, wetting, growth, coarsening and coalescence processes of Anti Phase Boundary.…”

Section: Resultsmentioning

confidence: 99%

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Phase Field Calculations with CVM Free Energy within Square Approximation

Mohri¹,

Fujihashi

Chen

2007

MSF

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Phase Field Method is combined with the Cluster Variation Method within the square approximation, and the multiscale ordering behavior from atomistic to microstructural evolution process of ordered domains in the two dimensional square lattice is investigated. The transition temperature is determined at 1:1 stoichiometric composition and it is confirmed that the transition is of the second order. The growth process of the ordered domains is visualized and it is revealed that the sharp decrease of the free energy takes place during the process.

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Section: Resultsmentioning

confidence: 99%

“…The authors have been developing a hybrid model [7][8][9][10][11] in which CVM free energy is incorporated in the homogeneous free energy density term of the PFM which is expressed by Ginzburg Landau type free energy. Based on the own coarsening procedure [11,12], electronic structure calculations are…”

mentioning

confidence: 99%

Phase Field Calculations with CVM Free Energy within Square Approximation

Mohri¹,

Fujihashi

Chen

2007

MSF

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“…In order to distinguish three variants characteristic to L1 0 ordered phase, the introduction of four sublattices is essential and the number of the correlation functions in Eq. ( 6) further increases [13][14][15][16][17].…”

Section: Phase Field Methodsmentioning

confidence: 99%

From Phase Equilibria to Transformation Dynamics

Mohri

Ohno

Chen³

2007

DDF

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First principles calculations have been applied in various fields in Materials Science. The authors have been attempting to reproduce a binary phase diagram by combining FLAPW electronic structure total energy calculations with Cluster Variation Method of statistical mechanics. Such a first principles calculation for static equilibrium has been quite successful for a series of Febased alloy systems. Recently, main attention is directed towards the extension of the first principles calculation to phase transformation dynamics by incorporating Phase Field Method. A series of preliminary calculations on disorder-L10 ordering in Fe-Pd and –Pt are satisfactory and the evolution process of Anti-Phase Boundaries was reproduced. In the present report, first-principles calculations of phase equilibria and phase transformation are briefly reviewed. Particular focuses are placed on coarse graining operation which authors developed and and time scaling as a remaining problem.

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“…where the linear combination of point correlation functions, η [3][4][5][6]27]. Then, at a fixed concentration of 50at %, which is our main concern, the free energy expression of eq.…”

Section: Phase Transformationmentioning

confidence: 99%

“…In particular, in view of the recent progress of Phase Field Method [2], the development of a hybrid model [3][4][5][6]27,28] which incorporates electronic structure calculations and Cluster Variation Method into the Phase Filed Method is promising. In particular, in view of the recent progress of Phase Field Method [2], the development of a hybrid model [3][4][5][6]27,28] which incorporates electronic structure calculations and Cluster Variation Method into the Phase Filed Method is promising.…”

Section: Introductionmentioning

confidence: 99%

First-principle Thoery of Phase Stability, Phase Equilibria and Phase Transition of Ordered Compounds

Mohri

2006

MRS Proc.

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First-principles theory of alloys is based on electronic structure calculation at the ground state and statistical mechanics calculation at finite temperatures. The former clarifies the stability of an ordered compound against competing phases and the latter is employed mainly to derive a phase diagram. The author performed a series of first-principles investigations on binary alloy systems including noble metal alloys, semiconductor alloys and Fe-based alloy systems by combining FLAPW electronic structure total energy calculations with Cluster Variation Method. Recently, the theoretical framework is extended even to calculate microstructural evolution process. By exemplifying Fe-based alloy systems, the progress of the first-principles calculation is reviewed and future prospect is discussed.

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Theoretical Investigation of Coarsening Process of L1<SUB>0</SUB>-Ordered Domain Based on Phase Field Method and Cluster Variation Method

Cited by 7 publications

References 16 publications

Phase Field Calculations with CVM Free Energy within Square Approximation

Phase Field Calculations with CVM Free Energy within Square Approximation

From Phase Equilibria to Transformation Dynamics

First-principle Thoery of Phase Stability, Phase Equilibria and Phase Transition of Ordered Compounds

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