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First-principles calculation (2)
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quasi-harmonic vibrational contribution (1)
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Keyword: First-principles calculation
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Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
Journal article
Creator
Masato Ohnishi
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Masato Ohnishi
;
Tianqi Deng
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Tianqi Deng
;
Pol Torres
(author) (
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Pol Torres
;
Zhihao Xu
(author) (
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Zhihao Xu
;
Terumasa Tadano
(author) (
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https://orcid.org/0000-0002-8132-2161
NIMS Researchers Directory SAMURAI
Terumasa Tadano
;
Haoming Zhang
(author) (
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Haoming Zhang
;
Wei Nong
(author) (
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Wei Nong
;
Masatoshi Hanai
(author) (
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Masatoshi Hanai
;
Zeyu Wang
(author) (
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Zeyu Wang
;
Michimasa Morita
(author) (
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Michimasa Morita
;
Zhiting Tian
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Zhiting Tian
;
Ming Hu
(author) (
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Ming Hu
;
Xiulin Ruan
(author) (
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Xiulin Ruan
;
Ryo Yoshida
(author) (
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Ryo Yoshida
;
Toyotaro Suzumura
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Toyotaro Suzumura
;
Lucas Lindsay
(author) (
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Lucas Lindsay
;
Alan J. H. McGaughey
(author) (
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Alan J. H. McGaughey
;
Tengfei Luo
(author) (
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Tengfei Luo
;
Kedar Hippalgaonkar
(author) (
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Kedar Hippalgaonkar
;
Junichiro Shiomi
(author) (
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Junichiro Shiomi
Keyword
Thermal conductivity
,
Phonon
,
First-principles calculation
Date published
2026-04-13
Updated at
2026-05-12 08:46:56 +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
Keyword
First-principles calculation
(2)
Debye model
(1)
Phonon
(1)
Sommerfeld model
(1)
Thermal conductivity
(1)
quasi-harmonic vibrational contribution
(1)
titanium alloys
(1)
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Dataset(1)
Journal article(1)
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First-principles calculation (2)
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Sommerfeld model (1)
Thermal conductivity (1)
quasi-harmonic vibrational contribution (1)
titanium alloys (1)
(more)
License
Creative Commons BY Attribution 4.0 International (1)
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application/pdf (1)
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