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Continuous real-time O 1s core XPS spectra of H2O adsorption on +c Ga-face and m-plane surfaces of GaN
Description/Abstract:
The surface oxidation behavior of different GaN surfaces (the polar Ga-face (+c) and the nonpolar m-plane) under H<sub>2</sub>O vapor amb...
Keyword:
GaN
,
Gallium nitride
,
MOS structure
,
Oxidation
,
SPring-8
,
Surface oxidation
, and
XPS
Resource Type:
Dataset
Data origin:
other
Author:
SUMIYA, Masatomo
Date Uploaded:
14/02/2023
Date Modified:
28/02/2023
CrySPY: a crystal structure prediction tool accelerated by machine learning
Description/Abstract:
We have developed an open-source software called CrySPY, which is a crystal structure prediction tool written in Python 3, ...
Keyword:
evolutionary algorithm
,
Bayesian optimization
,
LAQA
,
crystal structure prediction
, and
first-principles calculations
Resource Type:
Article
Author:
Tomoki Yamashita
,
Shinichi Kanehira
,
Nobuya Sato
,
Hiori Kino
,
Kei Terayama
,
Hikaru Sawahata
,
Takumi Sato
,
Futoshi Utsuno
,
Koji Tsuda
,
Takashi Miyake
, and
Tamio Oguchi
Date Uploaded:
10/02/2023
Date Modified:
02/04/2024
Important Descriptors and Descriptor Groups of Curie Temperatures of Rare-earth Transition-metal Binary Alloys
Description/Abstract:
We analyze Curie temperatures of rare-earth transition metal binary alloys with machine learning method. In order to select important de...
Keyword:
Curie temperature
,
binary rare-earth transition metal
,
descriptor importance
,
exhaustive search
,
hierarchical clustering
, and
subgroup relevance analysis
Resource Type:
Article
Author:
Hieu Chi Dam
,
Viet Cuong Nguyen
,
Tien Lam Pham
,
Anh Tuan Nguyen
,
Kiyoyuki Terakura
,
Takashi Miyake
, and
Hiori Kino
Date Uploaded:
10/02/2023
Date Modified:
20/03/2024
Automatic exhaustive calculations of large material space by Korringa-Kohn-Rostoker coherent potential approximation method — Applied to equiatomic quaternary high entropy alloys
Description/Abstract:
Automatic exhaustive exploration of a large material space by high-performance supercomput- ers is crucial for developing new functional...
Keyword:
AkaiKKR
,
Automatic exhaustive exploration
,
Curie temperature
,
law aquisition
,
magnetization
,
quaternary high entropy alloys
, and
residual resistivity
Resource Type:
Article
Author:
T. Fukushima
,
H. Akai
,
T. Chikyow
, and
H. Kino
Date Uploaded:
09/02/2023
Date Modified:
28/03/2024
Evidence-based recommender system for high-entropy alloys
Description/Abstract:
Existing data-driven approaches for exploring high-entropy alloys (HEAs) face three challenges: numerous element-combination candidates, ...
Keyword:
recommender system
,
Dempster–Shafer theory
,
evidence theory
, and
high-entropy alloys
Resource Type:
Article
Author:
Minh-Quyet Ha
,
Duong-Nguyen Nguyen
,
Viet-Cuong Nguyen
,
Takahiro Nagata
,
Toyohiro Chikyow
,
Hiori Kino
,
Takashi Miyake
,
Thierry Denœux
,
Van-Nam Huynh
, and
Hieu-Chi Dam
Date Uploaded:
09/02/2023
Date Modified:
29/03/2024
Evidence-based data mining method to reveal similarities between materials based on physical mechanisms
Description/Abstract:
Measuring the similarity between materials is essential for estimating their properties and revealing the associated physical mechanisms....
Keyword:
Curie temperature
,
Dempster–Shafer theory
,
evidence theory
,
magnetization
,
mixture of experts
,
physical mechanism
,
similarity evidence
,
transition rare-earth metal binary allloys
, and
visualization
Resource Type:
Article
Author:
Minh-Quyet Ha
,
Duong-Nguyen Nguyen
,
Viet-Cuong Nguyen
,
Hiori Kino
,
Yasunobu Ando
,
Takashi Miyake
,
Thierry Denœux
,
Van-Nam Huynh
, and
Hieu-Chi Dam
Date Uploaded:
08/02/2023
Date Modified:
07/05/2024
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
Date Modified:
05/05/2024
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
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MDR phonon calculation database
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10,649
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Silver (Ag) nanowire coated with polyvinilpirrolydone (PVP)
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