4 papers
First-principles Study on Formation of LPSO Structures for Ternary Alloys Revisited from Short-range Order
Koretaka Yuge, Hisashi Miyazono, Ryohei Tanaka +2
We investigate the formation of long-period stacking ordered (LPSO) structure for Mg-Y-Zn ternary alloys based on the short-range order (SRO) tendency of energetically competitive…
First-Principles Study on Preferential Energetics of Mg-based Ternary Alloys Revisited by Short-Range Order in Disordered Phases
Ryohei Tanaka, Koretaka Yuge
To investigate the formation of Mg-based long-period stacking ordered (LPSO) structure, we systematically study the preference of the short-range order (SRO) in metastable disorder…
A new Wang-Landau approach to obtain phase diagrams for multicomponent alloys
Kazuhito Takeuchi, Ryohei Tanaka, Koretaka Yuge
We develop an approach to apply Wang-Landau algorithm to multicomponent alloys in semi-grand-canonical ensemble. Although the Wang-Landau algorithm has great advantages over conven…
Extension of structure integration to magnetic system
Kazuhito Takeuchi, Takashi Ishikawa, Ryohei Tanaka +1
We extend our previously developed method, "structure integration", to evaluate free energy directly for magnetic large systems on given lattice. The present method express the den…