Keyword: First-principles calculation

4 records found.

article_MSEA.docx
Grain boundary plasticity in Mg binary alloys by segregation of p-block element
Journal article
Creator
Hidetoshi Somekawa (author) (Search by this author)
ORCID SAMURAI ;
Tomohito Tsuru (author) (Search by this author)
;
Alok Singh (author) (Search by this author)
ORCID SAMURAI
Keyword
Magnesium alloy, Grain boundary segregation, First-principles calculation, Deformation mechanism
Date published
2024-01-01
Updated at
2024-10-25 10:02:38 +0900

JAlloysCompd1042(2025)183927.pdf
Effect of Ni and Fe content on the plastic deformation behavior of Co–Cr–Fe–Ni–Mo alloys: A combined computational and experimental study
Journal article
Creator
Kai Hiyama (author) (Search by this author)
;
Tomoki Nakajima (author) (Search by this author)
;
Ryoji Sahara (author) (Search by this author)
ORCID SAMURAI ;
Kyosuke Ueda (author) (Search by this author)
;
Takayuki Narushima (author) (Search by this author)
Keyword
Co–Cr alloy, High entropy alloy, Biomedical, Stacking fault energy, First-principles calculation, Special quasi-random structure, Mechanical properties
Date published
2025-09-22
Updated at
2025-12-02 12:30:12 +0900

Main.pdf
Role of atypical temperature-responsive lattice thermal transport on the thermoelectric properties of antiperovskites Mg3XN (X = P, As, Sb, Bi)
Journal article
Creator
Jincheng Yue (author) (Search by this author)
;
Yanhui Liu (author) (Search by this author)
;
Wenling Ren (author) (Search by this author)
;
Shuyao Lin (author) (Search by this author)
;
Chen Shen (author) (Search by this author)
;
Harish Kumar Singh (author) (Search by this author)
;
Tian Cui (author) (Search by this author)
;
Terumasa Tadano (author) (Search by this author)
ORCID SAMURAI ;
Hongbin Zhang (author) (Search by this author)
Keyword
Antiperovskite, First-principles calculation, Four-phonon scattering, Self-consistent phonon theory, Thermoelectric properties, Anharmonicity
Date published
2024-01-25
Updated at
2026-01-24 12:30:21 +0900

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