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Origin of the Phase Separation into B2 and L21 Ordered Phases in the X-Al-Ti (X: Fe, Co, and Ni) Alloys from the First-principles Cluster Variation Method
Ryo Yamada, Tetsuo Mohri
The phase separation behaviors from the single B2 ordered phase into the two separate B2 and L2 ordered phases in the X-Al-Ti (X: Fe, Co, and Ni) alloys are analyzed using the…
Application of Cluster Variation and Path Probability Methods to the Tetragonal-Cubic Phase Transition in ZrO2
Ryo Yamada, Tetsuo Mohri
Cluster variation method (CVM) and path probability method (PPM) have generally been employed to study replacive phase transitions in alloy systems. Recently, displacive phase tran…
Atomistic Relaxation Process in a Ni3Al Ordered Phase Using Path Probability Method with Vacancy Mechanisms
Ryo Yamada, Tetsuo Mohri
The path probability method (PPM), which is a natural extension of the cluster variation method (CVM) to a time domain, has been employed in a relaxation process of atomic configur…
Conversion of magnetic freedoms into atomic configurational freedoms within the Cluster Variation Method
Ryo Yamada, Tetsuo Mohri
The continuous displacement cluster variation method (CDCVM) has introduced local atomic displacements into the theoretical framework of the cluster variation method (CVM) by viewi…