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Function Decomposition Tree with Causality-First Perspective and Systematic Description of Problems in Materials Informatics
Description/Abstract:
As interdisciplinary science is flourishing because of materials informatics and additional factors; a systematic way is required for exp...
Keyword:
functional decomposition
,
knowledge sharing
,
materials informatics
, and
ontology
Resource Type:
Report
Author:
Hiori Kino
,
Hieu Chi Dam
,
Takashi Miyake
, and
Riichiro Mizoguchi
Date Uploaded:
08/02/2023
Date Modified:
22/03/2024
A high voltage aqueous proton battery using an optimized operation of a MoO3 positive electrode
Description/Abstract:
Aqueous proton batteries have attracted increasing attention owing to their potential of high safety standard, high rate capability, and ...
Keyword:
density functional theory
,
molybdenum trioxide
,
operando x-ray diffraction
, and
proton battery
Resource Type:
Article
Author:
Atsunori Ikezawa
,
KOYAMA, Yukinori
,
Tadaaki Nishizawa
, and
Hajime Arai
Date Uploaded:
03/02/2023
A material dictionary database to extract information on permanent magnets from scientific articles
Description/Abstract:
In this study, we developed a new information extraction method using a material dictionary database (MDDB), which parses scientific arti...
Keyword:
information extraction
,
database
,
magnetic property
,
materials informatics
,
natural language processing
, and
ontology
Resource Type:
Dataset
Data origin:
informatics and data science
Author:
Akira Suzuki
Date Uploaded:
03/02/2023
Date Modified:
19/03/2024
First-principles study of the reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surface
Description/Abstract:
MgM2O4 (M = Mn, Fe, Co) spinels, which transform into rock-salt phases on Mg incorporation, are attractive cathode materials for future M...
Keyword:
Cathode
,
First-principles calculations
,
Mg-battery
,
Spinel Surface
, and
Surface reconstruction
Resource Type:
Article
Author:
Tomoaki Kaneko
,
Yui Fujihara
,
Hiroaki Kobayashi
, and
Keitaro Sodeyama
Date Uploaded:
01/02/2023
Date Modified:
20/03/2024
LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations
Description/Abstract:
Longitudinal-optical (LO) mode phonon branches of KCl and NaCl were measured using inelastic x-ray scattering (IXS) at 300 K and calculat...
Keyword:
IXS measurment
and
Phonon calculation
Resource Type:
Article
Author:
Atsushi Togo
,
Hiroyuki Hayashi
,
Terumasa Tadano
,
Satoshi Tsutsui
, and
Isao Tanaka
Date Uploaded:
01/02/2023
First-principles phonon calculations with phonopy and phono3py
Description/Abstract:
Harmonic, quasi-harmonic, and anharmonic phonon properties of crystals are getting to be better predicted using first-principles phonon ...
Keyword:
Phonon calculation
Resource Type:
Article
Author:
Atsushi Togo
Date Uploaded:
01/02/2023
Date Modified:
19/03/2024
Virtual heat treatment for γ-γ′ two-phase Ni-Al alloy on the materials Integration system, MInt
Description/Abstract:
Aiming to designing the aging heat treatment conditions to maximize the 0.2 % proof stress of γ-γ′ two-phase Ni-based superalloys, we dev...
Keyword:
Image analysis
,
Ni-Al alloy
,
Phase field simulation
, and
γ-γ′two-phase
Resource Type:
Article
Author:
Toshio Osada
,
Toshiyuki Koyama
,
Dmitry S. Bulgarevich
,
Satoshi Minamoto
,
Makoto Osawa
,
Makoto Watanabe
,
Kyoko Kawagishi
, and
Masahiko Demura
Date Uploaded:
01/02/2023
Continuous real-time O 1s core XPS spectra of initial O2 molecule adsorption on polar and m-plane surfaces of GaN
Description/Abstract:
The initial adsorption behavior of different GaN surfaces (the polar Ga-face (+c) and N-face (−c) and the nonpolar (101̅0) (m)-plane) und...
Keyword:
Adsorption
,
GaN
,
Gallium nitride
,
Oxidation
,
SPring-8
, and
XPS
Resource Type:
Dataset
Data origin:
other
Author:
SUMIYA, Masatomo
Date Uploaded:
31/01/2023
Date Modified:
28/02/2023
Materials Data Platform: a constellation of systems to promote materials data-oriented science
Description/Abstract:
A constellation of research data systems is being developed, to boost a more data-oriented approach to materials science. Four main funct...
Keyword:
Data-oriented science
,
Database
,
Materials data platform
,
Materials digital transform
,
Materials informatics
,
Metadata
, and
Research data management
Resource Type:
Poster
Author:
MATSUDA Asahiko
,
KADOHIRA Takuya
,
YOSHIKAWA Hideki
,
ISHII Masashi
,
DEMURA Masahiko
, and
TANIFUJI Mikiko
Date Uploaded:
21/01/2023
Date Modified:
30/03/2024
Rapid discovery of new Eu2+-activated phosphors with a designed luminescence color using a data-driven approach
Description/Abstract:
For rapid and efficient development of new phosphors, a suitable method that proposes promising candidates is expected to focus time-cons...
Keyword:
Eu2+
,
emission spectrum
,
luminescence
,
machine learning
,
materials design
, and
phosphor
Resource Type:
Article
Author:
Yukinori Koyama
,
Hidekazu Ikeno
,
Masamichi Harada
,
Shiro Funahashi
,
Takashi Takeda
, and
Naoto Hirosaki
Date Uploaded:
20/01/2023
Date Modified:
25/03/2024
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MDR phonon calculation database
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