4 papers
Extended Configurational Polyhedra Based on Graph Representation for Crystalline Solids
Koretaka Yuge
We propose theoretical approach based on combination of graph theory and generalized Ising model (GIM), which enables systematic determination of extremal structures for crystallin…
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…
Extension of Configurational Polyhedra to Finite Temperature Property
Koretaka Yuge, Kazuya Kojima, Kazuhito Takeuchi +1
Configurational polyhedora (CP) is a hyperpolyhedra on multidimensional configuration space, whose vertex (and edges) corresponds to upper or lower limit value of correlation funct…