研究活動

Publications

Current (Including submission and arXiv.)

1. Generalized Thermodynamics for Nonlinerity under Feedback Protocol
   K. Yuge
   in preparation
   
   
2. Thermodynamic Lagrangian for Nonlinearity
   K. Yuge
   in preparation
   
   
3. Linear System-Based Formulation of Thermodynamics for Nonlinerity
   K. Yuge
   in preparation
   
   
4. Interface-induced Evolution of Nonlinearity in Canonical Ensemble
   K. Yuge
   in preparation
   
   
5. Generalized Tropical Limit of Nonlinearity in Canonical Ensemble
   Subaru Sugie and K. Yuge
   in preparation
   
   
6. Systematic Study on Nonlinearity in Canonical Ensemble From Statistical Manifold
   K. Kamei, I. Nishihara and K. Yuge
   in preparation
   
   
7. Nonequilibrium Bound for Canonical Nonlinearity Under Single-Shot Work
   K. Yuge
   arXiv:5492713 [cond-mat.stat-mech]
   
   
8. Thermodynamic Interpretaion of Entanglement in Canonical Nonlinearity
   K. Yuge
   arXiv:4815027 [cond-mat.stat-mech]
   
   
9. Geometric Study on Canonical Nonlinearity for FCC-based Binary Alloys
   K. Yuge and I. Nishihara
   arXiv:4684525 [cond-mat.stat-mech]
   
   
10. Canonical Nonlinearity for Coupled Linear Systems
    K. Yuge and K. Kamei
    arXiv:455678 [cond-mat.stat-mech]
    
    
11. Thermodynamics for Nonlinearity under Hidden Structure Information
    K. Yuge
    arXiv:4180191 [cond-mat.stat-mech]
    
    
12. Efficient, Systematic Estimation of Alloy Free Energy from Special Microscopic States
    Ryogo MIyake, Subaru Sugie and K. Yuge
    arXiv:3988488 [cond-mat.stat-mech]
    
    
13. Stochastic Thermodynamics for Evolution of Nonlinearity in Canonical Ensemble
    K. Yuge
    arXiv:3663188 [cond-mat.stat-mech]
    
    
14. Does Stochastic Disorder Conform to Configurational Disorder?
    K. Yuge and S. Ohta
    arXiv:2279863 [cond-mat.stat-mech]
    
    
15. Universal Characterization of Hierarchical Ordering Tendency in High-Entropy Alloys from Configurational Geometry
    K. Yuge
    arXiv:2860790 [cond-mat.stat-mech]
    
    
16. Plastic Analysis of the temperature-dependent plastic deformation of single crystals of quinary, quaternary and ternary equiatomic high- and medium-entropy alloys of the Cr-Mn-Fe-Co-Ni system
    L. Li, Zh. Chen, S. Tei, Y. Matsuo, R. Chiba, K. Yuge, H. Inui and E. P. George
    Acta Mater. (submitted).
    
    
17. Plastic deformation of single crystals of the equiatomic Cr-Fe-Co-Ni medium entropy alloy - A comparison with Cr-Mn-Fe-Co-Ni and Cr-Co-Ni alloys
    L. Li, Zh. Chen, K. Yuge, K. Kishida, H. Inui, M. Heilmaier and E. P. George
    Int. J. Plast. 169, 103732-1-17 (2023).
    
    
18. A new route to achieve high strength and high ductility compositions in Cr-Co-Ni-based medium-entropy alloys: A predictive model connecting theoretical calculations and experimental measurements
    Zh. Wang, L. Li,, Zh. Chen, K. Yuge, K. Kishida, H. Inui and M. Heilmaier
    J. Alloys. Compd. 959, 170555-1-16 (2023).
    
    
19. Evolution of short-range order and its effects on the plastic deformation behavior of single crystals of the equiatomic Cr-Co-Ni medium-entropy alloy
    L. Ki, Zh. Chen, S. Kuroiwa, M Ito, K. Yuge, K. Kishida, H. Tanimoto, Y. Yu, H. Inui and E. P. George
    Acta Mater. 243, 118537-1-14 (2023).
    
    
20. Tropical Diagram for Linear-Nonlinear Boundary in Canonical Ensemble
    Subaru Sugie and K. Yuge
    J. Phys. Soc. Jpn. 91, 064802-1-6 (2022).
    
    
21. Nonlinearity in Canonical Ensemble for Multicomponent Alloys Revisited from Structural Degree of Freedoms
    K. Yuge
    J. Phys. Soc. Jpn. 91, 014802-1-5 (2022).
    
    
22. Configurational Geometry Bridges Equilibrium Structure Information from a Single to Multiple Compositions for Binary Discrete Systems
    S. Ohta, R. Miyake and K. Yuge
    J. Phys. Soc. Jpn. 90, 034801 (2021).
    
    
23. Comprehensive Phase Field Study on Directionally-Solidified MoSi2/Mo5Si3 Eutectic Alloy
    Ch. Q. Zhu, J. Yamamoto, Y. Koizumi, K. Yuge, K. Kishida, H. Inui
    Mater. Sci. Forum 1016, 749-754 (2021).
    
    
24. Preferential Energetics of Mg-based Ternary Alloys Revisited by Short-Range Order in Disordered Phases through First Principles
    R. Tanaka and K. Yuge
    Trans. MRSJ 45, 167-172 (2020).
    
    
25. Landspcae of Configurational Density of States for Discrete Large Systems
    K. Yuge, T. Taikei, K. Oku, S. Ohta and K. Takeuchi
    Trans. MRSJ 45, 163-166 (2020).
    
    
26. Special Microscopic-states-basis Formulation of Macroscopic Structure for Thermodynamic Systems
    K. Yuge, R. Miyake and S. Ohta
    J. Phys. Soc. Jpn. 89, 094803-1-3 (2020).
    
    
27. Accurate Prediction of Potential Energy Surface via Thermodynamically Equilibrium Structure
    K. Yuge
    Trans. MRSJ 45, 139-141 (2020).
    
    
28. Tropical Limit for Configurational Geometry in Discrete Thermodynamic Systems
    K. Yuge and S. Ohta
    J. Phys. Soc. Jpn. 89, 084802-1-4 (2020).
    
    
29. Prediction of face-centered cubic single-phase formation for non-equiatomic Cr-Mn-Fe-Co-Ni high-entropy alloys using valence electron concentration and mean-square atomic displacement
    K. Niitsu, M. Asakura, K. Yuge and H. Inui
    Mater. Trans. 61, 1874-1880 (2020).
    
    
30. Pattern Formation Mechanism of Directionally-Solidified MoSi2/Mo5Si3 Eutectic by Phase-Field Simulation
    Ch. Zhua, Y. Koizumi, A Chiba, K. Yuge, K. Kishida and H. Inui
    Intermetallics 116, 106590-1-10 (2020).
    
    
31. Bidirectional-Stability Breaking in Thermodynamic Average for Classical Discrete Systems
    K. Yuge and S. Ohta
    J. Phys. Soc. Jpn. 88, 104803 (2019).
    
    
32. First-principles Study on Formation of LPSO Structures for Ternary Alloys Revisited from Short-range Order
    K. Yuge, H. Miyazono, R. Tanaka, T. Taikei and K. Takeuchi
    Trans. MRSJ 44, 149-152 (2019).
    
    
33. Anharmonicity in Structural Degree of Freedom:A Central Key for Bidirectional Stability in Thermodynamic Average
    K. Yuge, S. Ohta, T. Setoyama and R. Miyake
    AMTC Lett. 6, 232-233 (2019).
    
    
34. Systematic, Exact Formulation of Multivariate Moments for Configurational Geometry in Crystalline Solids
    S. Ohta and K. Yuge
    AMTC Lett. 6, 234-235 (2019).
    
    
35. Efficient Construction of Special Microscopic States for Thermodynamically Equilibrium State Based on Singular Value Decomposition
    R. Miyake, S. Ohta and K. Yuge
    AMTC Lett. 6, 162-163 (2019).
    
    
36. Microscopic Geometry Rules Ordering Tendency for Multicomponent Disordered Alloys
    K. Yuge and S. Ohta
    J. Phys. Soc. Jpn. 88, 054803-1-6 (2019).
    
    
37. A Single Microscopic State to Characterize Ordering Tendency in Descrete Multicomponent Systems
    K. Yuge and S. Ohta
    J. Phys. Soc. Jpn. 88, 044803-1-7 (2019).
    
    
38. Exact Formulation of Moments for Density of States on Multisite Correlation Function under Constant Composition
    S. Ohta and K. Yuge
    J. Phys. Soc. Jpn. 88, 034802-1-11 (2019).
    
    
39. Microscopic Geometry Characterizes Structure/Potential-Energy Correspondence in a Thermodynamic System
    K. Yuge
    J. Phys. Soc. Jpn. 87, 104802-1-6 (2018).
    
    
40. Extended Configurational Polyhedra Based on Graph Representation for Crystalline Solids
    K. Yuge
    Trans. Mat. Res. Soc. Jpn. 43, 233-236 (2018).
    
    
41. Accurate estimation of a phase diagram from a single STM image
    K. Takeuchi, K. Yuge, S. Tabata, H. Saito, S. Kurokawa and A. Sakai
    Sci. Rep. 8, 6841-1-8 (2018).
    
    
42. Short-Range-Order for fcc-based binary alloys Revisited from Microscopic Geometry
    K. Yuge
    J. Phys. Soc. Jpn. 87, 044804-1-4 (2018).
    
    
43. New Wang-Landau approach to obtain phase diagrams for multicomponent alloys
    K. Takeuchi, R. Tanaka and K. Yuge
    Phys. Rev. B 96, 144202 (2017).
    
    
44. Grand Projection State: A special microscopic state to determine free energy
    T. Taikei, T. Kishimoto, K. Takeuchi and K. Yuge
    J. Phys. Soc. Jpn. 86, 114802-1-7 (2017).
    
    
45. Compositional asymmetry of disordered structure: Role of spatial constraint
    K. Yuge
    Trans. Mat. Res. Soc. Jpn. 42, 85-87 (2017).
    
    
46. Determination of Variance for Configuratinal Density of States in Crystalline Solids
    K. Yuge, T. Taikei and K. Takeuchi
    Trans. Mat. Res. Soc. Jpn. 42, 81-83 (2017).
    
    
47. Developing iridium-based alloys as effective catalysts by the combination of density functional theory and cluster expansion method
    L. M. Namin, N. Deskins, and K. Yuge
    Bull. Am. Phys. Soc. 62, 5 (2017).
    
    
48. First-principles study on segregation of ternary additions for MoSi2/Mo5Si3 interface
    K. Yuge
    Calphad 56, 150-153 (2017).
    
    
49. Graph representation for configurational properties of crystalline solids
    K. Yuge
    J. Phys. Soc. Jpn. 86, 024802-1-7 (2017).
    
    
50. Atomic displacement in the CrMnFeCoNi high-entropy alloy - a scaling factor to predict solid solution strengthning
    N. Okamoto, K. Yuge, K. Tanaka, H. Inui and G. Easo
    AIP Advances 6, 125008-1-8 (2016).
    
    
51. Extension of Configurational Polyhedra to Finite Temperature Property
    K. Yuge, K. Kojima, K. Takeuchi and T. Taikei
    Trans. Mat. Res. Soc. Jpn. 41, 363-366 (2016).
    
    
52. Extension of Structure Integration to Magnetic Systems
    K. Takeuchi, T. Ishikawa, R. Tanaka and K. Yuge
    Mater. Trans. 57, 1667-1670 (2016).
    
    
53. Effect of additional elements on fracture toughness of (Mo0.85Nb0.15)Si2 C40/C11b lamellar-structured crystals
    K. Hagihara, K. Yuge, T. Ikenishi, H. Araki and T. Nakano
    Mater. Lett. 177, 99-103 (2016).
    
    
54. Artificial peaks in energy dispersive X-ray spectra: sum peaks, escape peaks, and diffraction peaks
    R. Tanaka, K. Yuge, J. Kawai and H. Alawadhi
    X-ray Spec. (On-line published, DOI: 10.1002/xrs.2697) (2016).
    
    
55. ケイ素鋼中のFe Kα線の蛍光X線ケミカルシフト
    田中 亮平, 弓削 是貴，河合 潤
    X線分析の進歩 47, 257-261 (2016).
    
    
56. Equilibrium Macroscopic Structure Revisited from Spatial Constraint
    K. Yuge
    J. Phys. Soc. Jpn. 85, 024802-1-5 (2016).
    
    
57. Theoretical study on density of microscopic states in configuration space via Random Matrix
    K. Yuge, T. Kishimoto and K. Takeuchi
    Trans. Mat. Res. Soc. Jpn. 41, 213-216 (2016).
    
    
58. Thermodynamic stability of Mg-Y-Zn ternary alloys through first-principles
    R. Tanaka and K. Yuge
    Intermetallics 72, 25-29 (2016).
    
    
59. Direct evaluation of free energy for large systems through structure integration approach
    K. Takeuchi, R. Tanaka and K. Yuge
    J. Phys.: Condens. Matter 27, 385201-1-6 (2015).
    
    
60. Estimation of Macroscopic Physical Property in Disordered States: Special Microscopic States Approach
    K. Yuge
    J. Phys. Soc. Jpn. 84, 084801-1-5 (2015).
    
    
61. Application of grid-increment cluster expansion to modeling potential energy surface of Cu-based alloys
    R. Tanaka, K. Takeuchi and K. Yuge
    Mater. Trans. 56, 1077-1080 (2015).
    
    
62. Mechanisms of lamellar structure formation and Cr interfacial segregation in C11b-MoSi2/C40- NbSi2 dual phase silicide verified by a phase-field simulation incorporating elastic inhomogeneity
    T. Yamazaki, Y. Koizumi, K. Yuge, A. Chiba, K. Hagihara, T. Nakano, K. Kishida, and H. Inui
    Compt. Mater. Sci. 108, 358-366 (2015).
    
    
63. First-principles-based optimization of electronic structures for bimetallic nanoparticles
    K. Yuge
    Calphad 47, 144-147 (2014).
    
    
64. Surface design of alloy protection against CO-poisoning from first-principles
    K. Yuge, Y. Koyama, A. Kuwabara, and I. Tanaka
    J. Phys.: Condens. Matter 26, 355006-1-5 (2014).
    
    
65. Mechanisms of Cr segregation to C11b/C40 lamellar interface in (Mo,Nb)Si2 duplex silicide: A phase-field study to bridge experimental and first-principles investigations
    T. Yamazaki, Y. Koizumi, K. Yuge, A. Chiba, K. Hagihara, T. Nakano, K. Kishida, and H. Inui
    Intermetallics 54, 232-241 (2014).
    
    
66. Interface Migration with Segregation in MoSi2-Based Lamellar Alloy Simulated by Phase-Field Method
    T. Yamazaki, Y. Koizumi, A. Chiba, K. Hagihara, T. Nakano, K. Yuge, K. Kishida, and H. Inui
    Adv. Mater. Res. 922, 832-837 (2014).
    
    
67. Microstructure and mechanical properties of the NbSi2/MoSi2 crystal with lamellar structure
    K. Hagihara, Y. Hama, T. Fushiki, K. Yuge, and T. Nakano
    Mat. Sci. Forum 783-786, 1123-1128 (2014).
    
    
68. Portable X-ray Reflectometer Using a Low Power Polychromatic X-ray Tube
    T. Ohnishi, S. Imashuku, K. Yuge and J. Kawai
    Adv. X- Ray. Chem. Anal., Japan 45, 211-215 (2014).
    
    
69. Cluster expansion approach for modeling strain effects on alloy phase stability
    K. Yuge and R. Okawa
    Intermetallics 44, 60-63 (2014).
    
    
70. Magnetic ground state of the Mn+1AXn phase nitride Cr2GaN
    Z. Liu, T. Waki, Y. Tabata, K. Yuge, H. Nakamura, and I. Watanabe
    Phys. Rev. B 88, 134401-1-7 (2013).
    
    
71. Cr segregation to C11b/C40 interface in MoSi2-based alloys: A first-principles study
    K. Yuge, Y. Koizumi, K. Hagihara, T. Nakano, K. Kishida, and H. Inui
    Intermetallics 42, 165-169 (2013).
    
    
72. Complete representation of strain effects in alloy configurational energetics
    K. Yuge
    Trans. MRSJ 38, 171-175 (2013).
    
    
73. First-principles-based modeling of energetic stability for alloy nanoparticles with multiple shapes
    R. Sueyoshi and K. Yuge
    J. Japan Inst. Metals 77, 276-280 (2013).
    
    
74. Misfit strain affecting the lamellar microstructure in NbSi2/MoSi2 duplex crystals
    K. Hagihara, Y. Hama, K. Yuge, and T. Nakano
    Acta Mater. 61, 3432-3444 (2013).
    
    
75. Multiplet calculation of transition metal oxides M2O3 using Cowan code
    H. Iwasaki, K. Yuge and J. Kawai
    Bull. Soc. Discrete Variational Xa 26, 90-95 (2013).
    
    
76. Intensity correction of WD-XRF spectra from 2theta to energy
    A. Iwata, K. Yuge, and J. Kawai
    X-ray Spectrom. 42, 16-18 (2013).
    
    
77. Formalism to model stacking fault effects on surface phase stability in alloys
    K. Yuge, R. Saito, and J. Kawai
    Phys. Rev. B 87, 024105-1-5 (2013).
    
    
78. Electronic entropy effects on alloy phase stability under deformation through first-principles
    A. Miyamoto and K. Yuge
    Bull. Soc. Discrete Variational Xa 26, 73-76 (2013).
    
    
79. Coarse-graining approach for first-priciples-based Statistical thermodynamics calculation
    K. Takeuchi, R. Tanaka, and K. Yuge
    Bull. Soc. Discrete Variational Xa 26, 115-120 (2013).
    
    
80. Modeling potential energy surface for multicomponent alloys through first-principles
    R. Tanaka and K. Yuge
    Bull. Soc. Discrete Variational Xa 26, 110-114 (2013).
    
    
81. Phase-Field Study on the Segregation Mechanism of Additive Elements in NbSi2/MoSi2 Duplex Silicide
    T. Yamazaki, Y. Koizumi, A. Chiba, K. Hagihara, T. Nakano, K. Yuge, K. Kishida and H. Inui
    MRS Proc., 1516, pp.145-150 (2013)
    
    
82. Phase-Field Simulation of Lamellar Structure Formation in MoSi2/NbSi2 Duplex Silicide
    Y. Koizumi, T. Yamazaki, A. Chiba, K. Hagihara, T. Nakano, K. Yuge, K. Kishida and H. Inui
    MRS Proc., 1516, pp.309-315 (2013)
    
    
83. Pressure-induced solubility suppression for boron-carbon-nitride ternary alloys
    K. Yuge, K. Masuyama, and J. Kawai
    Calphad 38, pp. 81-84 (2012).
    
    
84. First-principles study on phase stability of MoSi2-NbSi2 pseudobinary alloys
    K. Yuge, Y. Koizumi, K. Hagihara, T. Nakano, K. Kishida, and H. Inui
    Phys. Rev. B 85, 134106-1-6 (2012).
    
    
85. Modeling configurational energetics on multiple lattices through extended cluster expansion
    K. Yuge
    Phys. Rev. B 85, 144105-1-5 (2012).
    
    
86. Similarity between blackbody and synchrotron radiation analyzed by Tsallis entropy
    H. Iwasaki, J. Kawai, K. Yuge, and A. Nagy
    X-ray Spectrom. 41, pp. 125-127 (2012).
    
    
87. Reversal segregation driven by lattice vibration for alloy nanoparticles
    K. Yuge, M. Kusaka, and J. Kawai
    Calphad 36, pp. 151-154 (2012).
    
    
88. Grid-increment cluster expansion for polymorphic structures in alloys
    K. Yuge
    Calphad 36, pp. 23-27 (2012).
    
    
89. Trends in solubility between boron-nitride and carbon
    K. Yuge
    Phys. Rev. B 84, 134207-1-6 (2011).
    
    
90. Concentration effects on segregation behavior of Pt-Rh nanoparticles
    K. Yuge
    Phys. Rev. B 84, 085451-1-5 (2011).
    
    
91. Stability and electronic structures of icosahedral Pt-Rh nanoparticles
    K. Yuge
    Mater. Trans. 52, pp. 1339-1343 (2011).
    
    
92. Segregation of Pt28Rh27 bimetallic nanoparticle: A first-principles study
    K. Yuge
    J. Phys.: Condens. Matter 22, 245401-1-6 (2010).
    
    
93. First-principles investigation on stability and electronic structures of Pt-Rh bimetallic nanoparticles
    K. Yuge, T. Ichikawa, and J. Kawai
    Mater. Trans. 51, pp. 321-324 (2010).
    
    
94. Cluster expansion approach for transmutative lattice systems
    K. Yuge
    J. Phys.: Condens. Matter 22, 125402-1-9 (2010).
    
    
95. First-principles study of phase equilibria in Cu-Pt-Rh disordered alloys
    K. Yuge
    J. Phys.: Condens. Matter 21, 415401-1-7 (2009).
    
    
96. Magnetic effects on phase stability of Pt-Fe binary alloy : A first-principle study
    Y. Matsui, K. Yuge, and J. Kawai
    Bull. Soc. Discrete Variational Xa 22, pp. 190-192 (2009).
    
    
97. Prediction of alloy phase stability through variable lattice cluster expansion
    K. Yuge
    Bull. Soc. Discrete Variational Xa 22, pp. 211-215 (2009).
    
    
98. Prediction of superhard cubic boron-carbon-nitride through first-principles
    K. Yuge
    J. Phys.: Condens. Matter 21, 415403-1-6 (2009).
    
    
99. Phase stability of Boron-Carbon-Nitride in a heterographene structure: A first-principles study
    K. Yuge
    Phys. Rev. B 79, 144109-1-6 (2009).
    
    
100. Structure and phase stability of cubic boron-carbon-nitride: A first-principles cluster expansion study
     K. Yuge, A. Seko, Y. Koyama, F. Oba, and I. Tanaka
     Bull. Soc. Discrete Variational Xa 21, pp. 113-119 (2009).
     
     
101. Pressure effects on phase stability of cubic BNC ternary alloys
     K. Yuge
     J. Phys.: Condens. Matter 21, 055403-1-6 (2009).
     
     
102. First principles calculations of advanced nitrides, oxides and alloys
     I. Tanaka, A. Kuwabara, K. Yuge, A. Seko, F. Oba and K. Matsunaga
     Key Eng. Mater. 403, pp. 73-76 (2009).
     
     
103. First-principles-based phase diagram of the cubic BNC ternary system
     K. Yuge, A. Seko, Y. Koyama, F. Oba, and I. Tanaka
     Phys. Rev. B 77, 094121-1-8 (2008).
     
     
104. First-Principles Study on Segregation and Surface Structures of Pt-Rh Alloys
     K. Yuge, A. Seko, Y. Koyama, A. Kuwabara, F. Oba, and I. Tanaka
     ECS Trans. 11, 749-758 (2007).
     
     
105. Ordering and segregation of Cu75Pt25(111) surface: A first-principles cluster expansion study
     K. Yuge, A. Seko, A. Kuwabara, F. Oba, and I. Tanaka
     Phys. Rev. B 76, 045407-1-8 (2007).
     
     
106. Free Energy Calculations of Precipitate Nucleation
     S.R. Nishitani, A. Seko, K. Yuge, and I. Tanaka
     Mat. Sci. Forum 539-543, pp. 2395-2400 (2007).
     
     
107. First-principles study of bulk ordering and surface segregation in Pt-Rh binary alloys
     K. Yuge, A. Seko, A. Kuwabara, F. Oba, and I. Tanaka
     Phys. Rev. B 74, 174202-1-13 (2006).
     


108. Vacancy Effect on the Precipitate Nucleation in Fe-Cu Alloy
     S.R. Nishitani, A. Seko, K. Yuge and I. Tanaka
     Multiscale Mater. Model., pp. 771-773 (2006).
     


109. Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides: A combined cluster-expansion method and first-principles study
     A. Seko, K. Yuge, A. Kuwabara, F. Oba, and I. Tanaka
     Phys. Rev. B 73, 184117-1-5 (2006).
     


110. First-principles study of cation disordering in MgAl2O4 spinel with cluster expansion and Monte Carlo simulation
     A. Seko, K. Yuge, A. Kuwabara, F. Oba, and I. Tanaka
     Phys. Rev. B 73, 094116-1-6 (2006).
     


111. First-principles study of the effect of lattice vibrations on Cu nucleation free energy in Fe-Cu alloys
     K. Yuge, A. Seko, S. R. Nishitani, and I. Tanaka
     Phys. Rev. B 72, 174201-1-7 (2005).
     


112. Theoretical study of vibrational contribution on cluster formation in a binary alloy system
     K. Yuge, S. R. Nishitani, and I. Tanaka
     Calphad 28, pp. 167-171 (2004).
     


113. Vibrational contribution on nucleation free energy of Cu precipitates in Fe-Cu system
     K. Yuge, A. Seko, K. Kobayashi, T. Tatsuoka, S. R. Nishitani, and H. Adachi
     Mater. Trans. 45, pp. 1473-1477 (2004).
     
     
114. Correlation between chemical shift of Si Kalpha lines and the effective charge on the Si atom and its application in the Fe-Si binary system
     Zh. Liu, S. Sugata, K. Yuge, M. Nagasono, K. Tanaka, and J. Kawai
     Phys. Rev. B 69, 035106-1-5 (2004).
     
     
115. High Resolution La X-ray Fluorescence Spectra of Palladium Compounds
     Zh. Liu, K. Yuge, and J. Kawai
     Spectrochimica Acta Part B 59, pp. 93-99 (2004).
     
     
116. Optimal Selection of Structural Degree of Freedoms for Spceial Microscopic States to Characterize Disordered Structures
     K. Yuge and S. Ohta
     arXiv:2851615 [cond-mat.stat-mech]
     
     
117. Modified Representation of Canonical Average by Special Microscopic States for Classical Discrete Systems
     K. Yuge, S. Ohta and R. Miyake
     arXiv:2828111 [cond-mat.stat-mech]
     
     
118. Where Nonlinearity in Thermodynamic Average Comes from? Configurational Geometry Revisited
     K. Yuge and S. Ohta
     arXiv:2755157 [cond-mat.stat-mech]
     
     
119. Entanglement in Structural Degree of Freedom for Classical Discrete Systems
     K. Yuge
     arXiv:2480574 [cond-mat.stat-mech]
     
     
120. Formulation of Genuine Thermodynamic Variables from Special Microscopic States
     K. Yuge and S. Ohta
     arXiv:2383398 [cond-mat.stat-mech]
     
     
121. Analytic Representation of Canonical Average From Fine Structure of Density of States
     K. Yuge and S. Ohta
     arXiv:1804.03498 [physics.gen-ph]
     
     
122. Universality of density of states in configuration space
     T. Taikei , K. Takeuchi and K. Yuge
     arXiv:1702.00543 [cond-mat.dis-nn]
     
     
123. Structure of Non-Solid Matter in Equilibrium State under NVT ensemble: New Insight from Spatial Constraint
     K. Yuge and M. Murata
     arXiv:1410.1907 [cond-mat.mtrl-sci]
     
     

In preparation, under research

1. Attractor Trajectory for Harmonicity in Structural Degree of Freedom: Its Classification and General Trends
   K. Yuge
   JPSJ
   
   
2. First-principles study on co-segregation of Ni and Ta for MoSi2/Mo5Si3 interface
   K. Yuge
   JPSJ
   
   
3. Robustness of Structure to Potential Energy Surface Conversion for Disordered States
   K. Yuge
   JPSJ
   
   
4. Trends in correspondence between potential energy surface and disordered structure on 2D triangle lattice
   K. Yuge
   JPSJ
   
   
5. Prediction of Potential Energy Surface for Three Dimensional System from Information of Two dimensional Structure
   K. Yuge
   JPSJ
   
   
6. Phase Coexistence in Canonical Ensemble by Extra-Dimension Monte Carlo Method
   K. Yuge and K. Takeuchi
   JPSJ
   
   
7. Anharmonicity in Configurational Degree of Freedom on Periodic Lattice
   K. Yuge
   JPSJ
   
   
8. Analytic Determination of Projection States at Equiatomic Composition for Binary System
   K. Yuge, T. Taikei and K. Takeuchi
   JPSJ
   
   
9. Systematic study of pressure effects on solid solubility and short-range order for binary alloys
   K. Yuge
   JPSJ
   
   
10. Pressure and size effects on thermodynamically equilibrium structure for ternary fcc alloys
    K. Yuge
    JPSJ
    
    
11. Trends in correspondence between potential energy surface and disordered structure on 3-dimensional lattice
    K. Yuge
    JPSJ
    
    
12. Systematic study on relationship between potential energy surface and equilibrium structure for multicompoent complex systems
    K. Yuge
    JPSJ
    
    
13. Variance and skewness of configurational density of states for multicomponent system
    K. Yuge, T. Taikei and K. Takeuchi
    JPSJ
    
    
14. Efficient sampling of configuration space via LP-norm
    K. Takeuchi, R. Watanabe, T. Taikei and K. Yuge
    JPSJ
    
    
15. Graph Invariant for Basis Transformation in Tensor Space Description of Structure
    K. Yuge
    JPSJ
    
    
16. Harmonicity in Statistical Interdependence of Structural Degree of Freedom: Basic Concept and Applications
    K. Yuge, T. Taikei and K. Takeuchi
    JPSJ
    
    
17. Efficient Determination of Surface and Interface Segregation via Specially-Selected Microscopic Structure
    K. Yuge
    JPSJ
    
    
18. Lattice Vibratational Effects on Thermodynamically Equilibrium Structure for Transition Metal Alloys
    K. Yuge
    JPSJ
    
    
19. How Spatial Constraint Bridges Stable Structure between Bulk and Surface?
    K. Yuge, T. Taikei and K. Takeuchi
    JPSJ
    
    
20. Construction of Phase diagram from a Single Measured Structure: Example for 2-dimensional Phase
    K. Yuge et al.
    JPSJ
    
    
21. Structure-basis expansion of thermodynamic functions
    K. Yuge
    JPSJ
    
    
22. Determination of energy variance and specific heat from a single microscopic state
    T. Taikei and K. Yuge
    JPSJ
    
    
23. Random Graph approach to determine thermodynamic functions
    K. Yuge
    JPSJ
    
    

Books / Newspapers

1. 「ハイエントロピー合金　カクテル効果が生み出す多彩な新物性」
   共著：4.2節（pp.111-132) 弓削是貴　乾晴行（編著）
   内田老鶴圃 (2020).


2. 「鉄酸化物の共有結合性・溶解度・還元性の電子状態計算に基づく解釈」
   河合潤，田中亮平，弓削是貴，今宿晋
   金属　85(10)，pp. 49-56 (2015).


3. 「第一原理統計熱力学計算に基づく合金の構造・相安定性と物性の予測」
   K. Yuge
   まてりあ 52, pp. 278-282(2013).


4. 「1400度に耐える合金 -タービンブレード用 阪大など開発-」
   K. Hagihara, T. Nakano, K. Yuge
   日刊工業新聞 3/18 (2013).


5. 「第一原理熱力学によるナノ機能元素の理論計算」
   I. Tanaka, A. Seko, K. Yuge, Y. Koyama, F. Oba and K. Matsunaga
   まてりあ 48, 299 (2009).

Invited talks

1. 「ハイエントロピー合金の微視的構造と多体相互作用の幾何学的考察」（基調講演）
   金属学会 秋季大会, 岡山, 9/11-13, 2019.
   K. Yuge
   


2. 「配位空間上の幾何学から再構築する統計力学と材料科学への応用」
   格子欠陥フォーラム2018, 9/7-8, 2018 (9/7).
   K. Yuge
   


3. "First-principles study on thermodynamic stability for Mg-based LPSO phases"
   Thermec 2016, Graz, Austria, May29-June3 , 2016.
   K. Yuge
   


4. "Equilibrium Macroscopic Structure Revisited from Spatial Constraint"
   ISFMS 2015, Japan, Nov.19-21 , 2015.
   K. Yuge
   


5. 「第一原理統計熱力学に基づく合金材料設計」
   第27回DV-Xa研究会, 名古屋，8/6-8, 2014 (8/8).
   K. Yuge
   


6. "First-principles study on phase stability and interface segregation in MoSi2-based alloys"
   The Czech-Japanese Workshop on High-Temperature Intermetallics, Brno, Czech Republic, April 13-16, 2014 (4/16).
   K. Yuge
   


7. "Modeling alloy configurational properties on multiple lattices through first-principles"
   Thermec 2013, Las Vegas, USA, Dec. 2-6, 2013 (12/4).
   K. Yuge
   


8. 「第一原理統計熱力学に基づいた合金の構造・相安定性の理論計算」（基調講演）
   金属学会 秋季大会, 金沢, 9/17-19, 2013 (9/17).
   K. Yuge
   


9. 「整合歪を考慮した合金の相安定性の第一原理計算」
   金属学会 秋季大会, 愛媛, 9/17-19, 2012 (9/18).
   K. Yuge
   


10. 「第一原理計算に基づく合金の相安定性の予測:MoSi2-NbSi2擬二元系合金」（基調講演）
    金属学会 年次大会, 横浜, 3/28-30, 2012 (3/28).
    K. Yuge, Y. Koizumi, K. Hagihara, T. Nakano, K. Kishida and H. Inui
    


11. "Alloy materials design through first-principles and statistical thermodynamics calculations"
    MRS-J, Yokohama, Dec. 19-21, 2011 (Dec. 19).
    K. Yuge
    


12. "Representation of structure-property relationships in polymorphic systems"
    XVIth International Workshop on Quantum Systems in Chemistry and Physics, Kanazawa, Sep. 11-17, 2011 (Sep. 13).
    K. Yuge
    


13. "Structure and phase stability for alloys based on first-principles"
    JSPS the 45th conference on the 19th committee, Hukuoka, Kyushu-Univ., Ito-campus, Jan. 30, 2009.
    K. Yuge