KOBAYASHI Ryo

写真a

Affiliation Department

Department of Physical Science and Engineering
Department of Physical Science and Engineering

Title

Associate Professor

Contact information

Contact information

Homepage

http://ryokbys.web.nitech.ac.jp/

External Link

Degree

  • Doctor of Science ( 0001.01   Chiba University )

Research Areas

  • Nanotechnology/Materials / Thin film/surface and interfacial physical properties

  • Manufacturing Technology (Mechanical Engineering, Electrical and Electronic Engineering, Chemical Engineering) / Mechanics of materials and materials

  • Nanotechnology/Materials / Nanomaterials

 

Research Career

  • Development of accurate force field for atomistic simulation of solids

    International Joint Research Projects  

    Project Year: 2015.12

Papers

  • イオン伝導固体材料のためのハイスループット古典ポテンシャル構築 Invited Reviewed

    小林亮

    分子シミュレーション学会誌アンサンブル   26 ( 1 )   12 - 17   2024.01

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    Authorship:Lead author   Language:Japanese   Publishing type:Research paper (scientific journal)  

  • Asymmetric Domain Nucleation from Dislocation Core in Barium Titanate: Molecular Dynamics Simulation Using Machine-Learning Potential through Active Learning Reviewed International coauthorship

    Asymmetric Domain Nucleation from Dislocation Core in Barium Titanate: Molecular Dynamics Simulation Using Machine-Learning Potential through Active Learning

    physica status solidi rapid research letters   2023.09

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    Authorship:Corresponding author   Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1002/pssr.202300292

    DOI: 10.1002/pssr.202300292

    Other Link: https://onlinelibrary.wiley.com/doi/10.1002/pssr.202300292

  • Tuning Ferroelectric Properties of Barium Titanate by Lateral Strain: A Molecular Dynamics Simulation Study Reviewed International coauthorship

    Hikaru Azuma, Seiya Shimoi, Takahiro Tsuzuki, Ryo Kobayashi, Masayuki Uranagase, Genki Deguchi, Frank Wendler, Dilshod Durdiev, Shuji Ogata

    physica status solidi rapid research letters   2023.09

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1002/pssr.202300290

    DOI: 10.1002/pssr.202300290

    Other Link: https://onlinelibrary.wiley.com/doi/10.1002/pssr.202300290

  • Optimization of Force-field Potential parameters using conditional variational autoencoder Reviewed

    Koki Matsunoshita, Yudai Yamaguchi, Masato Hamaie, Motoki Horibe, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Masayuki Karasuyama, Ryo Kobayashi

    Science and Technology of Advanced Materials: Methods   0   2253713   2023.08

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1080/27660400.2023.2253713

    DOI: 10.1080/27660400.2023.2253713

    Other Link: https://www.tandfonline.com/doi/full/10.1080/27660400.2023.2253713

  • Microscopic structure and migration of 90° ferroelectric domain wall in BaTiO3 determined via molecular dynamics simulations Reviewed International coauthorship

    Hikaru Azuma, Shuji Ogata, Ryo Kobayashi, Masayuki Urangase, Takahiro Tsuzuki, Dilshod Durdiev, Frank Wendler

    Journal of Applied Physics   133 ( 10 )   104101   2023.03

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1063/5.0138489

    DOI: 10.1063/5.0138489

    Other Link: https://pubs.aip.org/aip/jap/article/133/10/104101/2879121/Microscopic-structure-and-migration-of-90

  • Lithium ion transport environment by molecular vibrations in ion-conducting glasses Reviewed International coauthorship

    Hiroki Yamada, Koji Ohara, Satoshi Hiroi, Atsushi Sakuda, Kazutaka Ikeda, Takahiro Ohkubo, Kengo Nakada, Hirofumi Tsukasaki, Hiroshi Nakajima, Laszlo Temleitner, Laszlo Pusztai, Shunsuke Ariga, Aoto Matsuo, Jiong Ding, Takumi Nakano, Takuya Kimura, Ryo Kobayashi, Takeshi Usuki, Shuta Tahara, Koji Amezawa, Yoshitaka Tateyama, Shigeo Mori, Akitoshi Hayashi

    Energy and Environmental Materials   2023.03

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1002/eem2.12612

    DOI: 10.1002/eem2.12612

    Other Link: https://onlinelibrary.wiley.com/doi/10.1002/eem2.12612

  • Screening chloride Li-ion conductors using high-throughput force-field molecular dynamics Reviewed

    Shin Aizu, Shuta Takimoto, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Ryo Kobayashi

    Journal of the American Ceramic Society   2023.01

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1111/jace.18991

    Other Link: https://ceramics.onlinelibrary.wiley.com/doi/10.1111/jace.18991

  • Na superionic conductor-type LiZr2(PO4)3 as a promising solid electrolyte for use in all-solid-state Li metal batteries Invited Reviewed International coauthorship International journal

    Masanobu Nakayama, Koki Nakano, Maho Harada, Naoto Tanibata, Hayami Takeda, Yusuke Noda, Ryo Kobayashi, Masayuki Karasuyama, Ichiro Takeuchi, Masashi Kotobuki

    Chemical Communications   58   9328 - 9340   2022.08

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    Language:English   Publishing type:Research paper (scientific journal)   Publisher:Royal Society of Chemistry  

    DOI: 10.1039/D2CC01526A

    Other Link: https://pubs.rsc.org/en/content/articlelanding/2022/cc/d2cc01526a

  • Vacancy-assisted ferroelectric domain growth in BaTiO3 under an applied electric field: A molecular dynamics study Reviewed International coauthorship International journal

    Takahiro Tsuzuki, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase, Seiya Shimoi, Dilshod Durdiev, Frank Wendler

    Journal of Applied Physics   131   194101-1 - 194101-10   2022.05

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    Language:English   Publishing type:Research paper (scientific journal)   Publisher:AIP Publishing  

    DOI: 10.1063/5.0090231

    Other Link: https://aip.scitation.org/doi/10.1063/5.0090231

  • Non-equilibrium molecular dynamics study on atomistic origin of grain boundary resistivity in NASICON-type Li-ion conductor Reviewed International journal

    Ryo Kobayashi, Koki Nakano, Masanobu Nakayama

    Acta Materialia   226   117596   2022.03

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)   Publisher:Elsevier  

    Grain boundary (GB) resistance to ion conduction in solid-state electrolytes is one of the main issues on next-generation, high-performance rechargeable batteries. Thus, it is required to understand the origin of the GB resistance from the atomistic point of view. In this paper, a method to investigate the local ion flux using the non-equilibrium molecular dynamics (NEMD) is proposed, and it is demonstrated that the atomistic origin of the GB resistance in NASICON-type LiZr2(PO4)3 is clarified by the local ion-flux analysis of poly-crystalline system containing over half-million atoms in combination with Li-ion site potential energy analysis. The local ion-flux analysis enables us to visualize where Li ions migrate fast or slow in poly-crystalline structures, and it is observed, for the first time, that Li ions move toward lower reaches within grains and pass through specific regions of GBs. The Li-ion site potential energy analysis provides atomic-level details of the differences between high-flux and low-flux regions. It is confirmed from the analyses that the GB resistance comes from deep Li-ion traps and high-energy Li-ion migration paths made of rings of PO4 and ZrO6 polyhedra that do not exist in the crystalline structure.

    DOI: 10.1016/j.actamat.2021.117596

    Other Link: https://www.sciencedirect.com/science/article/pii/S1359645421009745?via%3Dihub

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Books and Other Publications

Misc

  • 固体電解質のハイスループット原子力場構築--固体電解質材料研究・開発への分子動力学法応用のために-- Invited Reviewed

    小林亮,中野高毅,中山将伸

    JCS-Japan   56 ( 10月 )   2021.10

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    Authorship:Lead author   Language:Japanese   Publishing type:Article, review, commentary, editorial, etc. (scientific journal)   Publisher:日本セラミックス協会  

  • Mgイオン電池材料の探索-材料計算の進展ー

    中山将伸、中野高毅、小林亮

    56   362 - 365   2021.04

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    Language:Japanese   Publishing type:Article, review, commentary, editorial, etc. (bulletin of university, research institution)   Publisher:日本セラミックス協会  

Presentations

  • 酸化物固体材料のハイスループット力場構築と分子動力学シミュレーション〜深層地震機構解明へ向けて〜 Invited

    小林亮

    日本地球惑星科学連合2022年大会  日本地球惑星科学連合

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    Event date: 2022.05

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Venue:幕張メッセ  

  • MD study on atomistic origin of grain boundary resistivity in solid electrolytes Invited International conference

    Ryo KOBAYASHI

    Interface IONICS International online symposium 2022  Interface IONICS project

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    Event date: 2022.03

    Language:English   Presentation type:Oral presentation (invited, special)  

    Venue:オンライン  

  • 分極ドメイン壁と転位の相互作用のための機械学習ポテンシャル

    出口元貴, 小林亮, 吾妻真光, 浦長瀬正幸, 尾形修司

    日本物理学会2024年春季大会  2024.03  日本物理学会

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    Event date: 2024.03

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:オンライン   Country:Japan  

  • Li/LiF界面における電荷可変型ポテンシャルの開発

    山田健人,小林亮

    分子シミュレーション討論会  2023.12  分子シミュレーション学会

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    Event date: 2023.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:福井県県民ホール  

  • ボルン有効電荷を再現するGraph NN型ポテンシャルの開発

    出口元貴,小林亮,尾形修司,浦長瀬正幸,都築貴寛,吾妻真光

    第37回分子シミュレーション討論会  2023.12  分子シミュレーション学会

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    Event date: 2023.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:福井県県民ホール  

  • Ion migration path analysis using non-equilibrium molecular dynamics

    Ryo Kobayashi

    Solid state ionics society of japan  2023.11  Solid state ionics society of japan

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    Event date: 2023.11

    Language:Japanese   Presentation type:Oral presentation (general)  

  • Dislocation Effects on the Inversion of Ferroelectric Polarization in BaTiO3 Using a Graph Neural Network Potential International conference

    Genki Deguchi, Ryo Kobayashi, Shuji Ogata, Masayuki Uranagase, Takahiro Tsuzuki, Hikaru Azuma, Seiya Shimoi

    European Materials Research Society 2023 Spring Meeting  2023.05  European Materials Research Society

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    Event date: 2023.05 - 2023.06

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Strasburg  

  • Li-ion diffusion in Li3PS4 glass-ceramic using molecular dynamics simulation

    伊藤龍一郎,小林亮

    第32回日本MRS 年次大会  2022.12  日本MRS

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    Event date: 2022.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:横浜   Country:Japan  

  • 原子分解XRDシミュレーションによるガラス中の結晶相の可視化

    井上 裕詞、田村 友幸、小林 亮、片山 怜央

    第32回日本MRS 年次大会  2022.12  日本MRS

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    Event date: 2022.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:横浜   Country:Japan  

  • アモルファス材料における機械学習に基づいた第一原理XANESの予測

    平井 悠喜、田村 友幸、烏山 昌幸、小林 亮

    第32回日本MRS 年次大会  2022.12  日本MRS

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    Event date: 2022.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:横浜   Country:Japan  

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Awards

  • Award for Encouragement of Research in Materials Science

    2011.01  

    Ryo Kobayashi

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    Award type:Award from Japanese society, conference, symposium, etc.  Country:Japan

Scientific Research Funds Acquisition Results

  • 非一様な固体電解質内の局所イオン伝導度解析

    2022.04 - 2024.04

    科学研究費補助金  新学術領域研究

    小林亮

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    Authorship:Principal investigator 

  • 反応力場開発と電極・固体電解質界面の分子動力学シミュレーション

    2021.04 - 2024.03

    科学研究費補助金  基盤研究(C)

  • 多元系蓄電材料の古典力場開発と焼結界面のイオン伝導解析

    2020.04 - 2022.03

    科学研究費補助金  新学術領域研究

    小林亮

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    固体電解質材料の第一原理分子動力学 (MD) シミュレーションを良く再現する精度と汎用性の高い古典力場を自動的に構築する手法を確立する .開発手法を用いて固体電解質材料の力場を構築し,力場を用いた焼結の大規模MDシミュレーションにより,ナノ粒子間界面の原子構造と,温 度・圧力などの焼結プロセスとの関連を明らかにする.焼結後の多結晶体におけるイオン伝導特性をミクロの視点から解析することで,界面に おけるイオン伝導抵抗の機構を解明する.種々の異なる組成・結晶構造・焼結プロセスにおけるイオン伝導特性との関連性を調べ,組成・プロ セスとイオン伝導特性をつなぐ物理モデル・機械学習モデルの構築を目的とする.

  • 転位キンク・ダイナミクスのマルチスケール解析 研究課題

    2012.04 - 2015.03

    科学研究費補助金  若手研究(B)

    小林亮

 

Teaching Experience

  • Exercises in Physics II

    2010.04 Institution:Nagoya Institute of Technology

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    Level:Undergraduate (liberal arts)  Country:Japan

 

Social Activities

  • MI2Iマテリアルズ・インフォマティクス・ハンズオン講習会@名古屋

    Role(s): Lecturer

    物質・材料研究機構  名工大  2019.12

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    Audience: Researchesrs, Company

    Type:Seminar, workshop

    電池材料のための原子間力場を構築するプログラムfitpotおよびそれを用いて分子動力学シミュレーションを行うプログラムpmdを,企業内研究者に向けて紹介する.

  • ナノの世界のコンピュータ・シミュレーション

    Role(s): Lecturer

    名工大  名工大  2019.08

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    Audience: High school students

    Type:Seminar, workshop

    高校生に向けて「ナノの世界のコンピュータ・シミュレーション」というタイトルの実習・講義を行った.

  • MI2Iマテリアルズ・インフォマティクス・ハンズオン講習会@名古屋

    Role(s): Lecturer

    物質・材料研究機構  名工大  2019.08

     More details

    Audience: Researchesrs, Company

    Type:Seminar, workshop

    電池材料のための原子間力場を構築するプログラムfitpotおよびそれを用いて分子動力学シミュレーションを行うプログラムpmdを,企業内研究者に向けて紹介する.

  • ナノの世界のコンピュータ・シミュレーション

    Role(s): Lecturer

    名工大  名工大  2018.08

     More details

    Audience: High school students

    Type:Seminar, workshop

    高校生に向けて「ナノの世界のコンピュータ・シミュレーション」というタイトルの実習・講義を行った.

Media Coverage

  • 名工大テクノフェア

    名工大  オンライン  2020.11