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ジャーナル論文(11)
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First-principles calculation (13)
Magnesium alloy (2)
Surface energy (2)
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Antiperovskite (1)
Austenitic alloy (1)
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キーワード: First-principles calculation
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13 件のレコードが見つかりました。
Role of atypical temperature-responsive lattice thermal transport on the thermoelectric properties of antiperovskites Mg3XN (X = P, As, Sb, Bi)
ジャーナル論文
著者
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) (
この著者で検索
)
Hongbin Zhang
キーワード
Antiperovskite
,
First-principles calculation
,
Four-phonon scattering
,
Self-consistent phonon theory
,
Thermoelectric properties
,
Anharmonicity
刊行年月日
2024-01-25
更新時刻
2026-01-24 12:30:21 +0900
Interfacial charge transfer and electronic structure of diamond/c-BN heterointerface
ジャーナル論文
著者
Suna Jia
(author) (
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)
Suna Jia
;
Shiyang Fu
(author) (
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)
Shiyang Fu
;
Yaning Liu
(author) (
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)
Yaning Liu
;
Nan Gao
(author) (
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)
Nan Gao
;
Hongdong Li
(author) (
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)
Hongdong Li
;
Meiyong Liao
(author) (
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)
https://orcid.org/0000-0003-1361-4266
NIMS Researchers Directory SAMURAI
Meiyong Liao
キーワード
Diamond
,
First-principles calculation
刊行年月日
2022-12-07
更新時刻
2024-01-05 22:14:02 +0900
Structure Prediction of Metal Nanoparticles Using Wulff Theorem and First Principles Calculation
ジャーナル論文
著者
Miyu ONISHI
(author) (
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)
Miyu ONISHI
;
Shota OHNO
(author) (
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)
Shota OHNO
;
Ayako NAKATA
(author) (
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)
https://orcid.org/0000-0002-3311-6283
NIMS Researchers Directory SAMURAI
Ayako NAKATA
;
Hiromi NAKAI
(author) (
この著者で検索
)
Hiromi NAKAI
キーワード
Metal nanoparticle
,
Wulff construction
,
First-principles calculation
,
Surface energy
,
Plane index
刊行年月日
2024-10-17
更新時刻
2024-12-10 16:54:11 +0900
キーワード
First-principles calculation
(13)
Magnesium alloy
(2)
Surface energy
(2)
Wulff construction
(2)
Absorption energy
(1)
Anharmonicity
(1)
Antiperovskite
(1)
Austenitic alloy
(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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(1)
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Transfer learning
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(1)
atomic simulation
(1)
quasi-harmonic vibrational contribution
(1)
titanium alloys
(1)
toolkit
(1)
RDEメタデータ定義
RDE送り状
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