23 citations · 94 across the 54 of their papers we have counts for
15 papers · 1 filter
Universal Characterization of Hierarchical Ordering Tendency in High-Entropy Alloys from Configurational Geometry
Koretaka Yuge
Microscopic structures for fcc-based quaternary high-entropy alloys (HEA) in thermodynamically equilibrium state is examined based on first-principles (FP) calculation combined wit…
Pattern Formation Mechanism of Directionally-Solidified MoSi2/Mo5Si3 Eutectic by Phase-Field Simulation
Chuanqi Zhu, Yuichiro Koizumi, Akihiko Chiba +3
A phase-field study has been conducted to obtain an understanding of the formation mechanism of the script lamellar pattern of MoSi2/Mo5Si3 eutectic composite, which is a promising…
Microscopic Geometry Rules Ordering Tendency for Multicomponent Disordered Alloys
Koretaka Yuge, Shouno Ohta
Short-range ordering (SRO) tendency for disordered alloys is considered as competition between chemical ordering and geometric (mainly, difference in atomic radius for constituents…
A Single Microscopic State to Characterize Ordering Tendency in Discrete Multicomponent System
Koretaka Yuge, Shouno Ohta
Our recent study reveals that macroscopic structure in thermodynamically equilibrium state and its temperature dependence for classical discrete system can be well-characterized by…
Accurate estimation of interface phase diagram from STM images
Kazuhito Takeuchi, Koretaka Yuge, Shinya Tabata +3
We propose a new approach to constructing a phase diagram using the effective Hamiltonian derived only from a single real-space image produced by scanning tunneling microscopy (STM…
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…
First-principles study on segregation of ternary additions for MoSi2/Mo5Si3 interface
Koretaka Yuge
We investigate segregation behavior of additive elements M (= Ni, Cr) at the C11b/D8m interface for MoSi2- Mo5Si3 alloys, based on first-principles calculation. We first find energ…
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…
Thermodynamic stability of Mg-Y-Zn ternary alloys through first-principles
Ryohei Tanaka, Koretaka Yuge
In order to clarify thermodynamic stability of Mg-based long-period stacking ordered (LPSO) structure, we systematically study energetic preference for alloys on multiple stacking…
Structure of Non-Solid Matter in Equilibrium State under NVT ensemble: New Insight from Spatial Constraint
Koretaka Yuge, Makoto Murata
When non-solid matter (e.g., liquids or gas) is under constant volume V and density rho (e.g., in rigid box), spatial positions for their constituents are restricted by these condi…
Direct evaluation of free energy for large system through structure integration approach
Kazuhito Takeuchi, Ryohei Tanaka, Koretaka Yuge
We propose a new approach, "structure integration", enabling direct evaluation of configurational free energy for large systems. The present approach is based on the statistical in…
Crystal lattice rules disordered states
Koretaka Yuge
Based on classical statistical thermodynamics, we develop a theoretical approach that provides new insight into how macroscopic and microscopic physical properties are bridged via…
Phase-field study on the segregation mechanism of Cr to lamellar interface in C40-NbSi2/C11b-MoSi2 duplex silicide
Toshihiro Yamazaki, Yuichiro Koizumi, Akihiko Chiba +5
Cr-segregation to a lamellar interface in NbSi2/MoSi2 duplex silicide has been examined by a newly developed phase-field model. The model can take into account the segregation ener…