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[Vol. 21]Supercomputing in materials science_ First-principles simulations of large molecules_ WPI-MANA.pdf
[Research Highlights Vol.21] Supercomputing in materials science: First-principles simulations of large molecules
雑誌
コレクション
Research Highlights
著者
International Center for Materials Nanoarchitectonics (WPI-MANA) (author) (この著者で検索)
National Institute for Materials Science
キーワード
Density Functional Theory, First-principles calculations, Molecular Dynamics Simulations, Linear-scaling method or O(N) method, Computational Materials Science
刊行年月日
2015-03-27
更新時刻
2023-12-25 00:30:18 +0900
Matsuishi et al. - 2026 - Luminescence Spectra Simulation of Ce3+-Activated Phosphors by Accumulating Emission Lines Along Fir.pdf
Luminescence Spectra Simulation of Ce 3+ ‐Activated Phosphors by Accumulating Emission Lines Along First‐Principles Molecular Dynamics Trajectories
ジャーナル論文
著者
ORCID SAMURAI ;
Hidekazu Ikeno (author) (この著者で検索)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI
キーワード
Ce3+-activated phosphor, first-principles molecular dynamics, photoluminescence
刊行年月日
2026-05-27
更新時刻
2026-06-01 16:26:03 +0900
1-s2.0-S0921509326005836-main.pdf
Precipitation behavior and anisotropic creep deformation behavior of laser powder bed fusion processed Hastelloy X at 1173 K
ジャーナル論文
著者
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
キーワード
Laser powder bed fusion, Hastelloy X, Creep, Precipitation, Grain boundary
刊行年月日
2026-04-22
更新時刻
2026-04-30 12:01:11 +0900
1-s2.0-S2238785426003145-main.pdf
Co-precipitation strengthening behavior on paint-baked Al–Mg–Si–Cu aluminium alloys under combined pre- and natural ageing
ジャーナル論文
著者
Wei-Yi Yang (author) (この著者で検索)
;
Ching-Wen Yeh (author) (この著者で検索)
; ORCID SAMURAI ;
R. Devesh Kumar Misra (author) (この著者で検索)
;
Po-Kai Chiu (author) (この著者で検索)
;
Tsai-Fu Chung (author) (この著者で検索)
ORCID
キーワード
Al–Mg–Si–Cu aluminum alloys, Pre-ageing, Prolonged natural ageing, Paint-baking, Multiphasic Co-precipitation, Strain-induced selective nucleation mechanism
刊行年月日
2026-02-10
更新時刻
2026-04-27 13:19:07 +0900
1-s2.0-S0925838825054283-main.pdf
A cellular automata-based crystal plasticity analysis of slip activity in additive manufactured Ti-6Al-4V during dwell fatigue
ジャーナル論文
著者
Hanqing Liu (author) (この著者で検索)
;
Masanori Kitamura (author) (この著者で検索)
; ORCID SAMURAI ;
Takayuki Shiraiwa (author) (この著者で検索)
ORCID
キーワード
Ti-6Al-4V, Additive manufacture, Dwell fatigue, Cellular Automaton, Crystal plasticity finite element method, Slip
刊行年月日
2025-09-18
更新時刻
2025-10-01 16:30:30 +0900
15F-T14-05_PM2024.pdf
Deformation-resistant multipurpose ultra-high temperature ceramics with superior hardness, toughness, and flexural strength
プレゼンテーション
著者
VASYLKIV Oleg (author) (この著者で検索)
National Institute for Materials Science Research Center for Electronic and Optical Materials/Optical Materials Field/Polycrystalline Optical Material Group
ORCID SAMURAI
キーワード
Deformation-resistant ceramic, UHTC, Mechanical properties
刊行年月日
更新時刻
2024-11-21 16:35:37 +0900
Manuscript_Final_after addressal_21.03.2022.docx
Revealing the Localization of NiAl-Type Nano-Scale B2 Precipitates Within the BCC Phase of Ni Alloyed Low-Density FeMnAlC Steel
ジャーナル論文
著者
Mainak Saha (author) (この著者で検索)
Indian Institute of Technology, Madras Metallurgical and Materials Engineering
ORCID SAMURAI ;
M. B. Ponnuchamy (author) (この著者で検索)
;
M. Sadhasivam (author) (この著者で検索)
;
Chinmoy Mahata (author) (この著者で検索)
;
G. Vijayaragavan (author) (この著者で検索)
;
Karanam Gururaj (author) (この著者で検索)
;
K. Suresh (author) (この著者で検索)
;
N. Chandrasekaran (author) (この著者で検索)
;
D. Prabhu (author) (この著者で検索)
;
Krushna Kumbhar (author) (この著者で検索)
;
K. G. Pradeep (author) (この著者で検索)
キーワード
Precipitate localisation, Atom Probe Tomography, Steels
刊行年月日
2022-06-08
更新時刻
2024-07-25 12:30:12 +0900
Manuscript_240623.docx
Multifunctional in-memory logics based on a dual-gate antiambipolar transistor toward non-von Neumann computing architecture
ジャーナル論文
著者
Yoshitaka Shingaya (author) (この著者で検索)
National Institute for Materials Science Research Center for Materials Nanoarchitectonics (MANA)/Quantum Materials Field/Neuromorphic Devices Group
ORCID SAMURAI ;
Takuya Iwasaki (author) (この著者で検索)
National Institute for Materials Science Research Center for Materials Nanoarchitectonics (MANA)/Quantum Materials Field/Qubit Materials Group
ORCID SAMURAI ;
Ryoma Hayakawa (author) (この著者で検索)
National Institute for Materials Science Research Center for Materials Nanoarchitectonics (MANA)/Quantum Materials Field/Quantum Device Engineering Group
ORCID SAMURAI ;
Shu Nakaharai (author) (この著者で検索)
National Institute for Materials Science International Center for Materials Nanoarchitectonics/Nano-System Field/Quantum Device Engineering Group
;
Kenji Watanabe (author) (この著者で検索)
National Institute for Materials Science Research Center for Electronic and Optical Materials/Optical Materials Field/Semiconductor Defect Design Group
ORCID SAMURAI ;
Takashi Taniguchi (author) (この著者で検索)
National Institute for Materials Science Research Center for Materials Nanoarchitectonics (MANA)
ORCID SAMURAI ;
Junko Aimi (author) (この著者で検索)
National Institute for Materials Science Research Center for Macromolecules and Biomaterials/Macromolecules Field/Molecular Mechatronics Group
ORCID SAMURAI ;
Yutaka Wakayama (author) (この著者で検索)
National Institute for Materials Science Research Center for Materials Nanoarchitectonics (MANA)/Quantum Materials Field/Quantum Device Engineering Group
ORCID SAMURAI
キーワード
2D materials, antiambipolar transistor, in-memory logic, neuromorphic device, nano-floating gate, non-von Neumann computing
刊行年月日
2024-07-03
更新時刻
2025-06-24 08:30:41 +0900
Revised-Manuscript-formatted_final_2.docx
X-ray Diffraction Line Profile Analysis of Natural Calcite Minerals found in Southern Philippines by Williamson-Hall Method
ジャーナル論文
著者
Raymond Benedict C. Dardo (author) (この著者で検索)
;
Rommel J. Jagus (author) (この著者で検索)
;
Masataka Imura (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Ryan G. Banal (author) (この著者で検索)
キーワード
CaCO3, Williamson Hall Method, XRD, Microstrain, Crystallite size
刊行年月日
2024-04-12
更新時刻
2024-11-14 16:30:44 +0900
2205.00829.pdf
Function Decomposition Tree with Causality-First Perspective and Systematic Description of Problems in Materials Informatics
報告書
著者
Hiori Kino (author) (この著者で検索)
National Institute for Materials Science
ORCID ;
Hieu Chi Dam (author) (この著者で検索)
;
Takashi Miyake (author) (この著者で検索)
;
Riichiro Mizoguchi (author) (この著者で検索)
キーワード
functional decomposition, materials informatics, ontology, knowledge sharing
刊行年月日
更新時刻
2024-03-22 10:53:31 +0900