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Leveraging Segmentation of Physical Units through a Newly Open Source Corpus
Description/Abstract:
The identification of physical measurements is a recurrent task in material informatics (MI). Quantities and units are contained in unstr...
Keyword:
measurements
,
physical quantities
,
quantities
, and
segmentation
Resource Type:
Presentation
Author:
SUZUKI, Akira
,
TANIFUJI, Mikiko
,
DIEB M. Thear
,
ISHII, Masashi
, and
FOPPIANO, Luca
Date Uploaded:
18/10/2019
Date Modified:
15/06/2020
Leveraging Segmentation of Physical Units through a Newly Open Source Corpus
Description/Abstract:
The identification of physical measurements is a recurrent need in materials informatics (MI). For example, the extraction of superconduc...
Resource Type:
Dataset
Data origin:
informatics and data science
Author:
FOPPIANO, Luca
,
TANIFUJI, Mikiko
,
ISHII, Masashi
,
DIEB M. Thear
, and
SUZUKI, Akira
Date Uploaded:
25/10/2019
Date Modified:
15/06/2020
Photographs of deformed areas after fiber fuse ignition
Description/Abstract:
Initial part of damage train left after a fiber fuse initiation.
Resource Type:
Image
Creator:
TODOROKI, Shin-ichi
Date Modified:
15/06/2020
Liquid electrolyte informatics using an exhaustive search with linear regression
Description/Abstract:
Exploring new liquid electrolyte materials is a fundamental target for developing new high-performance lithium-ion batteries. In contrast...
Keyword:
Gaussian09
,
Li-ion battery
,
materials informatics
,
molecules
,
organic solvents
, and
quantum chemistry calculations
Material/Specimen:
organic solvents
Resource Type:
Dataset
Data origin:
simulations
Author:
SODEYAMA, Keitaro
,
IGARASHI, Yasuhiko
,
NAKAYAMA, Tomofumi
,
TATEYAMA, Yoshitaka
, and
OKADA, Masato
Journal:
Physical Chemistry Chemical Physics
Date Uploaded:
09/09/2020
Date Modified:
30/06/2021
Machine Learning-Based Experimental Design in Materials Science
Description/Abstract:
In materials design and discovery processes, optimal experimental design (OED) algorithms are getting more popular. OED is often modeled ...
Keyword:
Machine learning
,
Materials design
, and
Optimal experiment design
Resource Type:
Part of Book
Author:
Tsuda, Koji
and
Dieb, Thaer M.
Journal:
Nanoinformatics
Date Uploaded:
02/10/2020
Date Modified:
16/10/2020
MDTS: automatic complex materials design using Monte Carlo tree search
Description/Abstract:
Complex materials design is often represented as a black-box combinatorial optimization problem. In this paper, we present a novel python...
Keyword:
Monte Carlo tree search
and
materials design
Resource Type:
Article
Author:
Ju, Shenghong
,
Tsuda, Koji
,
Shiomi, Junichiro
,
Yoshizoe, Kazuki
,
Dieb, Thaer M.
, and
Hou, Zhufeng
Journal:
Science and Technology of Advanced Materials
Date Uploaded:
02/10/2020
Date Modified:
16/10/2020
Structure prediction of boron-doped graphene by machine learning
Description/Abstract:
Heteroatom doping has endowed graphene with manifold aspects of material properties and boosted its applications. The atomic structure de...
Keyword:
Materials design
and
Monte Carlo tree search
Resource Type:
Article
Author:
Hou, Zhufeng
,
Tsuda, Koji
, and
Dieb, Thaer M.
Journal:
The Journal of Chemical Physics
Date Uploaded:
02/10/2020
Date Modified:
16/10/2020
Monte Carlo tree search for materials design and discovery
Description/Abstract:
Materials design and discovery can be represented as selecting the optimal structure from a space of candidates that optimizes a target p...
Keyword:
Materials design and discovery
Resource Type:
Article
Author:
Ju, Shenghong
,
Tsuda, Koji
,
Dieb, Thaer M.
, and
Shiomi, Junichiro
Journal:
MRS Communications
Date Uploaded:
02/10/2020
Date Modified:
16/10/2020
Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures
Description/Abstract:
These atomic coordinates are examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hc...
Keyword:
Debye model
,
First-principles calculation
,
Sommerfeld model
,
quasi-harmonic vibrational contribution
, and
titanium alloys
Resource Type:
Dataset
Data origin:
simulations
Author:
SAHARA, Ryoji
Date Uploaded:
09/10/2020
Date Modified:
20/10/2020
Materials metadata: as a custom schema, as directories, or in a data package
Description/Abstract:
Metadata for a research dataset can be about the dataset's bibliographic properties as well as their scientific properties. The scientifi...
Keyword:
data platform
,
materials informatics
, and
metadata
Resource Type:
Poster
Author:
MATSUDA, Asahiko
,
TANABE, Kosuke
,
KADOHIRA, Takuya
, and
TANIFUJI, Mikiko
Date Uploaded:
23/10/2020
Date Modified:
01/07/2021
Automatic Experimental Data Collection System Using a Wireless LAN Capable SD Card as an IoT Device
Description/Abstract:
実験・計算・データ科学を融合させた材料の研究開発を推進するマテリアルズインフォマティクス(MI)が推進されているが、実験データの収集については既存データベースのインポートや出版済み論文のデータマイニングに限られる場合が多い。効果的な MI のためには各種装置から自動的に実験...
Keyword:
FlashAir
,
IoT
,
Wi-Fi
, and
data transfer
Resource Type:
Presentation
Author:
MATSUDA, Asahiko
,
YOSHIKAWA, Hideki
, and
CHIKYOW, Toyohiro
Date Uploaded:
23/10/2020
Date Modified:
01/07/2021
Prediction and optimization of epoxy adhesive strength from a small dataset through active learning
Description/Abstract:
Machine learning is emerging as a powerful tool for the discovery of novel high-performance functional materials. However, experimental d...
Keyword:
Machine learning
,
active learning
, and
adhesive
Resource Type:
Article
Author:
Pruksawan, Sirawit
,
Lambard, Guillaume
,
Samitsu, Sadaki
,
Sodeyama, Keitaro
, and
Naito, Masanobu
Journal:
Science and Technology of Advanced Materials
Date Uploaded:
02/01/2021
Date Modified:
18/10/2022
Microbubble flows in superwettable fluidic channels
Description/Abstract:
The control of bubble adhesion underwater is important for various applications, yet the dynamics under flow conditions are still to be u...
Keyword:
microbubble
and
superwettability
Resource Type:
Article
Author:
Doi, Kotaro
,
Naito, Masanobu
, and
Tenjimbayashi, Mizuki
Journal:
RSC Advances
Date Uploaded:
02/01/2021
Date Modified:
18/10/2022
SuperMat: Construction of a linked annotated dataset from superconductors-related publications
Description/Abstract:
A growing number of papers are published in the area of superconducting materials science. However, novel text and data mining (TDM) proc...
Keyword:
machine learning
,
superconductors
, and
tdm
Resource Type:
Dataset
Data origin:
informatics and data science
Author:
DIEB, Sae
,
CASTRO, Pedro
,
ROMARY, Laurent
,
TAKANO, Yoshihiko
,
MENG, Yan
,
UZUKI, Azusa
,
ESPARZA, Miren
,
FOPPIANO, Luca
,
TERASHIMA, Kensei
,
SUZUKI, Akira
, and
IWASAKI, Suguru
Date Uploaded:
07/01/2021
Date Modified:
14/10/2022
SuperMat: Construction of a linked annotated dataset from superconductors-related publications
Description/Abstract:
A growing number of papers are published in the area of superconducting materials science. However, novel text and data mining (TDM) pro...
Keyword:
annotation
,
annotation guidelines
,
dataset
,
superconductors
, and
tdm
Resource Type:
Article
Author:
FOPPIANO, Luca
,
DIEB, Sae
,
SUZUKI, Akira
,
BAPTISTA DE CASTRO, Pedro
,
IWASAKI, Suguru
,
UZUKI, Azusa
,
ESPARZA ECHEVARRIA, Miren Garbine
,
MENG, Yan
,
TERASHIMA, Kensei
,
TAKANO, Yoshihiko
, and
ISHII, Masashi
Date Uploaded:
07/01/2021
Date Modified:
01/07/2021
First-principles calculations of optical constants
Description/Abstract:
The energy loss function (ELF) describes the interaction between electrons and matter in solids. It is essential for understanding quanti...
Keyword:
compound semiconductor
,
energy loss function
,
first-principles calculation
, and
optical constant
Resource Type:
Dataset
Data origin:
simulations
Author:
SHINOTSUKA, Hiroshi
,
YOSHIKAWA, Hideki
, and
TANUMA, Shigeo
Journal:
e-Journal of Surface Science and Nanotechnology
Date Uploaded:
18/01/2021
Date Modified:
07/07/2021
Free Analysis and Visualization Programs for Electrochemical Impedance Spectroscopy Coded in Python
Description/Abstract:
New programs for fitting using an equivalent circuit model and data visualization of electrochemical impedance spectroscopy were develope...
Keyword:
data visualization
,
electrochemical impedance
,
free software
, and
model fitting
Resource Type:
Article
,
Video
, and
Software or Program Code
Author:
SUZUKI, Tohru S.
and
KOBAYASHI, Kiyoshi
Journal:
Electrochemistry
Date Uploaded:
08/02/2021
Date Modified:
10/02/2021
DICE common message format schema
Description/Abstract:
We have defined a common metadata schema for research dataset distribution/exchange/storage, with features for not only system-to-system ...
Keyword:
Materials informatics
,
Data management
,
System architecture
, and
Metadata
Resource Type:
Software or Program Code
Data origin:
informatics and data science
Date Uploaded:
12/05/2021
Date Modified:
26/11/2021
MDR metadata list
Description/Abstract:
MDR stores and manages materials data using a metadata set implemented by referring to the DICE common message format schema, used for co...
Keyword:
Materials informatics
,
Metadata
, and
Data repository
Resource Type:
Software or Program Code
Data origin:
informatics and data science
Date Uploaded:
12/05/2021
Date Modified:
26/11/2021
A universal Bayesian inference framework for complicated creep constitutive equations
Description/Abstract:
Evaluating the creep deformation process of heat-resistant steels is important for improving the energy efficiency of power plants by inc...
Keyword:
Materials science
,
Metals and alloys
, and
Structural materials
Resource Type:
Article
Author:
Mototake, Yoh-ichi
,
Izuno, Hitoshi
,
Nagata, Kenji
,
Demura, Masahiko
, and
Okada, Masato
Journal:
Scientific Reports
Date Uploaded:
15/07/2021
Date Modified:
01/11/2022
Data-based selection of creep constitutive models for high-Cr heat-resistant steel
Description/Abstract:
There are two types of creep constitutive equation, one with a steady-state term (steady-state type) and the other with no steady-state t...
Keyword:
Creep constitutive equation
,
grade 91 steel
,
bayesian free energy
,
model selection method
,
theta method
, and
steady-state creep
Resource Type:
Article
Author:
Izuno, Hitoshi
,
Demura, Masahiko
,
Tabuchi, Masaaki
,
Mototake, Yoh-ichi
, and
Okada, Masato
Journal:
Science and Technology of Advanced Materials
Date Uploaded:
15/07/2021
Date Modified:
01/11/2022
Emergent dynamics of neuromorphic nanowire networks
Description/Abstract:
Neuromorphic networks are formed by random self-assembly of silver nanowires. Silver nanowires are coated with a polymer layer after synt...
Keyword:
Emergent dynamics
,
Neuromorphic network
,
Nanowire
,
Silver nanowire
,
Topology
,
Memory
, and
Neuromorphic computing
Material/Specimen:
Silver (Ag) nanowire coated with polyvinilpirrolydone (PVP)
Resource Type:
Article
Author:
Diaz-Alvarez, Adrian
,
Higuchi, Rintaro
,
Sanz-Leon, Paula
,
Marcus, Ido
,
Shingaya, Yoshitaka
,
Stieg, Adam Z.
,
Gimzewski, James K.
,
Kuncic, Zdenka
, and
Nakayama, Tomonobu
Journal:
Scientific Reports
Date Uploaded:
27/08/2021
Date Modified:
27/08/2021
Environmentally friendly recycling system for epoxy resin with dynamic covalent bonding
Description/Abstract:
Recycling of epoxy resin and its composites is extremely difficult due to its thermoset nature. In this study, we proposed the environmen...
Keyword:
Epoxy resin
,
aromatic disulfide bonding
,
degradation
,
glutathione
, and
recycling
Resource Type:
Article
Author:
TSAI, Hsing-Ying
,
FUJITA, Takehiro
,
WANG, Siqian
, and
NAITO, Masanobu
Journal:
Science and Technology of Advanced Materials
Date Uploaded:
17/11/2021
Date Modified:
01/12/2021
Global snapshot of the effects of the COVID-19 pandemic on the research activities of materials scientists between Spring and Autumn 2020
Description/Abstract:
We conducted a global survey on the effects of the COVID-19 pandemic on the research activities of materials scientists by distributing a...
Keyword:
COVID-19
,
materials science
,
scientific research
,
pandemic
,
lockdown
,
virtual conference
,
COVID-19 survey
,
science careers
,
crisis management
, and
research management
Resource Type:
Report
Author:
SANDHU, Adarsh
,
HANY, Roland
,
HIROHATA, Atsufumi
,
HISHITA, Shunichi
,
KIMLICKA, Ken
,
NAITO, Masanobu
, and
NISHIMURA, Chikashi
Journal:
Science and Technology of Advanced Materials
Date Uploaded:
17/11/2021
Date Modified:
01/12/2021
Strengthening epoxy adhesives at elevated temperatures based on dynamic disulfide bonds
Description/Abstract:
Epoxy resins incorporating aromatic disulfide bonds demonstrated improved adhesive properties with increasing temperature below their gla...
Keyword:
adhesive
Resource Type:
Article
Author:
TSAI, Hsing-Ying
,
NAKAMURA, Yasuyuki
,
FUJITA, Takehiro
, and
NAITO, Masanobu
Journal:
Materials Advances
Date Uploaded:
17/11/2021
Date Modified:
01/11/2022
Mechanochromism of dynamic disulfide bonds as a chromophoric indicator of adhesion strength for epoxy adhesive
Description/Abstract:
We demonstrated that the introduction of disulfide bonds into epoxy adhesive could be used as a facile chromophoric indicator to predict ...
Keyword:
Adhesive
Resource Type:
Article
Author:
TSAI, Hsing-Ying
,
NAKAMURA, Yasuyuki
,
HU, Wei-Hsun
,
FUJITA, Takehiro
, and
NAITO, Masanobu
Journal:
Materials Advances
Date Uploaded:
17/11/2021
Date Modified:
01/12/2021
材料データプラットフォームDICE2.0 - データ創出−蓄積−利用−連携の基盤
Description/Abstract:
材料分野でのデータ駆動型の材料研究の進展のため、物質 ・ 材料研究機構(National Institute for Materials Science, NIMS)は材料データプラットフォームシステムの開発に2017年に着手し、2020年からサービス名 DICE として所...
Keyword:
研究データ
,
データフロー
,
FAIR
,
DICE
,
マテリアル・インフォマティクス
,
語彙管理
, and
データ構造化
Resource Type:
Presentation
Author:
TANIFUJI, Mikiko
,
MATSUDA, Asahiko
, and
YOSHIKAWA, Hideki
Date Uploaded:
02/03/2022
Date Modified:
02/03/2022
NIMSʼs Materials Data Platform DICE and its future direction
Description/Abstract:
To promote data-driven research in the materials science field, the National Institute for Materials Science has been developing a materi...
Keyword:
DICE
,
data platform
,
metadata
,
data management
, and
materials informatics
Resource Type:
Presentation
Author:
MATSUDA, Asahiko
,
KADOHIRA, Takuya
, and
DEMURA, Masahiko
Date Uploaded:
23/03/2022
Date Modified:
24/03/2022
NIMS Materials Data Repositoryにおける研究データへのDOI登録運用
Description/Abstract:
NIMSでは材料データリポジトリ (MDR) を2020年より運用し、研究データセットの登録・公開を推進している。各データセットが有効に利活用・引用されるように検討しながら登録方法やメタデータを定め、DataCite DOIを付与している。ある研究コミュニティによる1700...
Keyword:
data repository
,
FAIR
,
DOI
,
data platform
, and
open science
Resource Type:
Presentation
Author:
MATSUDA, Asahiko
,
TANABE, Kosuke
,
ISHII, Masashi
,
ONODERA, Chie
,
HIROSAWA, Chieko
,
KUWAJIMA, Isao
,
KADOHIRA, Takuya
, and
TANIFUJI, Mikiko
Date Uploaded:
08/06/2022
Date Modified:
08/06/2022
Datasets of aluminum alloys in 5000, 6000, and 7000 series.
Description/Abstract:
Some aluminum alloys data in the 5000, 6000, and 7000 series. Three types of mechanical properties are examined: 0.2% proof stress, tensi...
Keyword:
aluminum alloys
,
0.2% proof stress
,
tensile strength
, and
elongation
Material/Specimen:
aluminum alloys
Resource Type:
Dataset
Data origin:
experiments
Author:
TAMURA, Ryo
,
WATANABE, Makoto
,
MAMIYA, Hiroaki
,
WASHIO, Kota
,
YANO, Masao
,
DANNO, Katsunori
,
KATO, Akira
, and
SHOJI, Tetsuya
Journal:
Science and Technology of Advanced Materials
Date Uploaded:
21/06/2022
Date Modified:
29/06/2022
オープンサイエンス時代の研究者プロフィールサービス ―研究活動の可視化のためにやるべきことはなにか?―
Description/Abstract:
研究機関によって運営される研究者プロフィールサービスは,オープンサイエンスの進展に代表される研究活動の多様化や,Institutional Research の取り組みによって,その目的が研究成果の公開から研究活動の分析のための情報基盤へと広がってきている。本稿では,今後の...
Keyword:
CRIS
,
DOI
,
ORCID
, and
研究者プロフィールサービス
Resource Type:
Article
Author:
田辺 浩介
and
谷藤 幹子
Journal:
情報の科学と技術
Date Uploaded:
19/07/2022
Date Modified:
03/08/2022
Supercon 2 Dataset
Description/Abstract:
The automatic extraction of materials and related properties from the scientific literature is gaining attention in data-driven materials...
Keyword:
tdm
,
materials science
,
superconductors
,
machine learning
, and
dataset
Resource Type:
Dataset
Data origin:
informatics and data science
Author:
Luca Foppiano
Date Uploaded:
11/10/2022
Date Modified:
10/11/2022
Original data for Fig.4.8 in a NIMS Monograph titled "fiber fuse"
Description/Abstract:
In situ images of a fiber fuse in the unstable mode through a SMF-28e fiber pumped at 1480 nm, ~1.3 W light. Speed: 30,000 fps, exposure ...
Keyword:
fiber fuse
and
void formation
Resource Type:
Dataset
Data origin:
experiments
Operator:
TODOROKI, Shin-ichi
Date Uploaded:
14/11/2022
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
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
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
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
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
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 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
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
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
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
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
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
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
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
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
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
材料データプラットフォームのための協働型材料語彙システム展開
Description/Abstract:
材料学の分野ごとの用語の差異の吸収や、材料データに付与するメタデータから参照する概念の特定に用いることを想定した材料語彙システムを構築した。集合知的プロセスを通じて多面的な観点を包含することを目指し、Wikidataプロジェクトで使われているWikibaseソフトウェアを採...
Keyword:
Collaborative intelligence
,
Materials science
,
Metadata
,
Vocabulary
, and
Wikibase
Resource Type:
Poster
Author:
松田 朝彦
,
内藤 裕幸
, and
門平 卓也
Date Uploaded:
15/02/2023
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