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Journal article(3)
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First-principles calculation (4)
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Keyword: First-principles calculation
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Grain boundary plasticity in Mg binary alloys by segregation of p-block element
Journal article
Creator
Hidetoshi Somekawa
(author) (
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https://orcid.org/0000-0001-5007-5834
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Hidetoshi Somekawa
;
Tomohito Tsuru
(author) (
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Tomohito Tsuru
;
Alok Singh
(author) (
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)
https://orcid.org/0000-0001-5515-8305
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Alok Singh
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
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) (
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Kai Hiyama
;
Tomoki Nakajima
(author) (
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Tomoki Nakajima
;
Ryoji Sahara
(author) (
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https://orcid.org/0000-0003-0788-2985
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ryoji Sahara
;
Kyosuke Ueda
(author) (
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Kyosuke Ueda
;
Takayuki Narushima
(author) (
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Takayuki Narushima
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
Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures
Dataset
Creator
SAHARA, Ryoji
(author) (
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https://orcid.org/0000-0003-0788-2985
NIMS Researchers Directory SAMURAI
SAHARA, Ryoji
Keyword
Sommerfeld model
,
quasi-harmonic vibrational contribution
,
First-principles calculation
,
Debye model
,
titanium alloys
Date published
2020-10-15
Updated at
2024-01-05 22:12:16 +0900
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) (
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)
Jincheng Yue
;
Yanhui Liu
(author) (
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)
Yanhui Liu
;
Wenling Ren
(author) (
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Wenling Ren
;
Shuyao Lin
(author) (
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Shuyao Lin
;
Chen Shen
(author) (
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Chen Shen
;
Harish Kumar Singh
(author) (
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Harish Kumar Singh
;
Tian Cui
(author) (
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Tian Cui
;
Terumasa Tadano
(author) (
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https://orcid.org/0000-0002-8132-2161
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Terumasa Tadano
;
Hongbin Zhang
(author) (
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Hongbin Zhang
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
Keyword
First-principles calculation
(4)
Anharmonicity
(1)
Antiperovskite
(1)
Biomedical
(1)
Co–Cr alloy
(1)
Debye model
(1)
Deformation mechanism
(1)
Four-phonon scattering
(1)
Grain boundary segregation
(1)
High entropy alloy
(1)
Magnesium alloy
(1)
Mechanical properties
(1)
Self-consistent phonon theory
(1)
Sommerfeld model
(1)
Special quasi-random structure
(1)
Stacking fault energy
(1)
Thermoelectric properties
(1)
quasi-harmonic vibrational contribution
(1)
titanium alloys
(1)
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Collection
Resource type
Journal article(3)
Dataset(1)
Keyword
First-principles calculation (4)
Anharmonicity (1)
Antiperovskite (1)
Biomedical (1)
Co–Cr alloy (1)
Debye model (1)
Deformation mechanism (1)
Four-phonon scattering (1)
Grain boundary segregation (1)
High entropy alloy (1)
(more)
License
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (3)
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application/pdf (2)
application/vnd.openxmlformats-officedocument.wordprocessingml.document (1)
application/zip (1)