Details of a Researcher - Arai, Noriyoshi

Arai, Noriyoshi

写真a

Affiliation: Faculty of Science and Technology, Department of Mechanical Engineering Science for Open and Environmental Systems （Yagami）

Position: Associate Professor

Related Websites

Contact Address: 3-14-1 35-107 Hiyoshi, Kohoku-ku, Yokohama

Telephone No.: +81-45-566-1846

Fax No.: +81-45-566-1495

External Links

Other Affiliation 【 Display / hide 】

RIKEN, Computational Astrophysics Laboratory, Visiting researcher

Career 【 Display / hide 】

2009

- Keio University KLL Research Associate
2009

- University of Electro-Communications Assistant Professor
2009

- RIKEN Visiting Researcher
2009.04

-

2019.03

Keio University, Leading-edge Laboratory of Science and Technology, Researcher
2009.04

-

Present

RIKEN, Computational Astrophysics Laboratory, Visiting Researcher

Academic Background 【 Display / hide 】

2000.04

-

2004.03

Keio University, Faculty of Science and Technology, Department of Mechanical Engineering

University, Graduated
2004.04

-

2006.03

Keio University, School of Science for Open and Environmental Systems, Center for Science of Environment, Resource, and Energy

Graduate School, Completed, Master's course
2006.04

-

2009.03

Keio University, School of Science for Open and Environmental Systems, Center for Science of Environment, Resource, and Energy

Academic Degrees 【 Display / hide 】

Doctor (Engineering), Keio University, Coursework, 2009.03

Dissipative Particle Dynamics Simulation for Self-Assembly of Surfactant Solutions and Design of High-Energy Efficiency Nanomotor System

Licenses and Qualifications 【 Display / hide 】

普通自動車第一種運転免許, 2000.09
初級システムアドミニストレータ資格, 2000.11

Research Areas 【 Display / hide 】

Manufacturing Technology (Mechanical Engineering, Electrical and Electronic Engineering, Chemical Engineering) / Thermal engineering (Micro/Nano Engineering)
Nanotechnology/Materials / Nanomaterials
Nanotechnology/Materials / Nanobioscience
Nanotechnology/Materials / Nano/micro-systems

Research Keywords 【 Display / hide 】

Molecular motor system
Soft Matter
soft matter
confined system
nano particle

Books 【 Display / hide 】

高分子材料の事典（仮）

荒井規允, 朝倉書店, 2021
化学便覧基礎編改訂6版

荒井規允, 泰岡顕治など, 丸善出版, 2020.12
データ分析の進め方及びAI・機械学習導入の指南～データ収集・前処理・分析・評価結果の実務レベル対応～

荒井規允, 情報機構, 2020.07
人と共生するAI革命 : 活用事例からみる生活・産業・社会の未来展望

荒井規允, 湯原大輔, 泰岡顕治, エヌ・ティー・エス, 2019

Scope: 第11章3節「AI活用による材料創製のための分子シミュレーションの高速化と界面活性剤性質予測システムの開発」
界面活性剤の選び方、使い方事例集

荒井規允, 技術情報協会, 2019

Scope: 第2章第9節「AIによる界面活性剤の性質予測」

Papers 【 Display / hide 】

Design strategy for blends of biodegradable polyester and thermoplastic starch based on a molecular dynamics study of the phase-separated interface

Yamaguchi, A; Arai, S; Arai, N

CARBOHYDRATE POLYMERS （Carbohydrate Polymers) 333 122005 2024.06

ISSN 0144-8617

　View Summary

Molecular insight into the phase-separated interface formed when biodegradable polyesters and thermoplastic starch (TPS) are melt-blended is valuable for the design of composites. In this study, eight different interfaces combining four major biodegradable polyesters (PLA, PBS, PHB and PBAT) and two TPSs [unmodified TPS (nTPS) and citrate-modified TPS (cTPS)] were investigated by using molecular dynamics (MD) simulations. According to the MD simulation results, PBS, PHB and PBAT diffuse readily into the TPS and form compatible interfaces, whereas PLA is less compatible with the TPS. The results of tensile simulations show that PBS and PBAT adhere well to TPS; in particular, PBS/cTPS and PBAT/cTPS exhibit high interfacial-fracture energy (G). Both PLA and PHB blended with TPS exhibit low G because PLA is less compatible with TPS and PHB and TPS have low electrostatic interaction. The reason for the high G of PBS/cTPS and PBAT/cTPS is thought to be a combination of three factors: (i) formation of a deep compatible interface, (ii) suppression of void growth by electrostatic interactions and (iii) absorption of strain energy by a change in the conformation of the molecular chains. These three interfacial adhesion mechanisms should be considered when designing biodegradable polyester/TPS blends with good mechanical properties.
- Access to Document (DOI)
In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice.

Yasuda I, Endo K, Arai N, Yasuoka K

Communications chemistry 7 （ 1 ） 117 2024.05
- Access to Document (DOI)
Cholesteric liquid crystal phase variations within nanotubes: an in-depth analysis of the influences of twist radius and molecular pitch

Kazutaka Yamada, Noriyoshi Arai

Liquid Crystals （Liquid Crystals) 2024.05

ISSN 0267-8292

　View Summary

This study investigates the self-assembly and phase transitions of cholesteric liquid crystals (CLCs) when confined in nanotubes, specifically focusing on the variations in their molecular structures. A dissipative particle dynamics method was used to investigate how the changes in helix radius ((Formula presented.)) and pitch ((Formula presented.)) affect the behaviour of the LCs. For pitches of 24, 12, and 6, the orientation order parameter ((Formula presented.)) showed distinct trends during cooling. Smaller helix radii resulted in isotropic to nematic to smectic phase transitions, whereas larger radii resulted in a novel smectic phase with spiral structures (Sm (Formula presented.)). Circumferential local-order parameters ((Formula presented.) and (Formula presented.)) were introduced to better characterise the phases, and a disordered spiral-structure phase (Sm (Formula presented.)) with local perturbations was observed. The transitions between isotropic, nematic, and smectic phases, highlighting the influence of the pitch and helix radius, were observed from the phase diagrams. Smaller pitches and radii prevented the formation of stable structures; however, specific combinations induced characteristic spiral structures in the smectic phase. These results provide new insights into the self-assembly of confined CLCs, which have potential applications in the design of photonic devices and LC-based sensors. This study advances our understanding of phase control in quasi-one-dimensional systems and highlights the importance of molecular variations in liquid crystal behaviour.
- Access to Document (DOI)
Supramolecular copolymerization of hydrophobic and hydrophilic monomers in liquid crystalline media

Daiki Morishita, Yoshimitsu Itoh, Ko Furukawa, Noriyoshi Arai, Xu-Jie Zhang, Takuzo Aida

Chemical Science （Chemical Science) 15 （ 11 ） 4068 - 4074 2024

ISSN 2041-6520

　View Summary

In the case of covalent polymers, immiscible polymers can be integrated by covalently linking them together, but such a strategy is not possible in supramolecular polymers. Here we report the supramolecular copolymerization of two porphyrin-based monomers, C10P2H and TEGPCu with side chains bearing cyanobiphenyl (CB) groups at the ends of hydrophobic alkyl or hydrophilic tetraethylene glycol chains, respectively. These monomers undergo self-sorting supramolecular polymerization in highly diluted solutions ([monomer] = 3.4 × 10−9 mol% (2.0 × 10−8 mol L−1)) in nonpolar media due to the incompatibility of the side chains. Surprisingly, these monomers undergo supramolecular copolymerization under high concentration conditions ([monomer] = 7.7 mol%) in the medium of 4-cyano-4′-pentyloxybiphenyl (5OCB) to form a columnar liquid crystalline phase under thermodynamic conditions, where the individual columns are composed of supramolecular block copolymers. The combination of CB ends of both monomers and the 5OCB medium is essential for the two monomers to form an integrated structure in a condensed system without phase separation.
- Access to Document (DOI)
Machine learning prediction of self-assembly and analysis of molecular structure dependence on the critical packing parameter

Yuuki Ishiwatari, Takahiro Yokoyama, Tomoya Kojima, Taisuke Banno, Noriyoshi Arai

Molecular Systems Design & Engineering （Molecular Systems Design and Engineering) 9 （ 1 ） 20 - 28 2024

ISSN 2058-9689

　View Summary

Amphiphilic molecules spontaneously form self-assembly structures depending on physical conditions such as the molecular structure, concentration, and temperature. These structures exhibit various functionalities according to their morphology. The critical packing parameter (CPP) is used to correlate self-organized structures with the chemical composition. However, accurately calculating it requires information about both the molecular shape and molecular aggregates, making it challenging to apply directly in molecular design. We aimed to predict the self-assembled structure of a molecule directly from its chemical structure and to analyze the factors influencing it using machine learning. Dissipative particle dynamics simulations were used to reproduce many self-assembly structures comprising various chemical structures, and their CPPs were calculated. Machine learning models were built using the chemical structures as input data and the CPPs as output data. As a result, both random forest and the gated recurrent unit showed high prediction accuracy. Feature importance analysis and sample size dependence revealed that the amphiphilic nature of molecules significantly influences the self-assembly structures. Additionally, selecting an appropriate molecular structure representation for each algorithm is crucial. The study results should contribute to product development in the fields of materials science, materials chemistry, and medical materials.
- Access to Document (DOI)

Papers, etc., Registered in KOARA 【 Display / hide 】

Design for materials with thermo-switching function based on molecular-level understanding of thermal conduction

Arai, Noriyoshi

学事振興資金研究成果実績報告書（慶應義塾大学) 2019
Molecular mechanism of Tom's effect by self-assembly of surfactant molecules

Arai, Noriyoshi

科学研究費補助金研究成果報告書 2019

Reviews, Commentaries, etc. 【 Display / hide 】

Wetting hysteresis induces effective unidirectional water transport through a fluctuating nanochannel

Noriyoshi Arai, Eiji Yamamoto, Takahiro Koishi, Yoshinori Hirano, Kenji Yasuoka, Toshikazu Ebisuzaki

Nanoscale Horizons (Nanoscale Horizons) 8 ( 5 ) 652 - 661 2022.04

ISSN 2055-6756

　View Summary

We propose a water pump that actively transports water molecules through
nanochannels. Spatially asymmetric thermal fluctuations imposed on the channel
radius cause unidirectional water flow without osmotic pressure, which can be
attributed to hysteresis in the cyclic transition between the wetting/drying
states. We show that the water transport depends on fluctuations, such as
white, Brownian, and pink noises. Because of the high-frequency components in
white noise, fast switching of open and close states inhibits channel wetting.
Conversely, pink and Brownian noises generate high-pass filtered net flow.
Brownian fluctuation leads to a faster water transport rate, whereas pink noise
has a higher capability to overcome osmotic pressure in the opposite direction.
A trade-off relationship exists between the resonant frequency of the
fluctuation and the flow amplification. The proposed pump can be considered as
an analogy for the reversed Carnot cycle, which is the upper limit on the
energy conversion efficiency.
- Access to Document (DOI)
Prediction of transport property via machine learning molecular movements

Ikki Yasuda, Yusei Kobayashi, Katsuhiro Endo, Yoshihiro Hayakawa, Kazuhiko Fujiwara, Kuniaki Yajima, Noriyoshi Arai, Kenji Yasuoka

2022.03

　View Summary

Molecular dynamics (MD) simulations are increasingly being combined with
machine learning (ML) to predict material properties. The molecular
configurations obtained from MD are represented by multiple features, such as
thermodynamic properties, and are used as the ML input. However, to accurately
find the input--output patterns, ML requires a sufficiently sized dataset that
depends on the complexity of the ML model. Generating such a large dataset from
MD simulations is not ideal because of their high computation cost. In this
study, we present a simple supervised ML method to predict the transport
properties of materials. To simplify the model, an unsupervised ML method
obtains an efficient representation of molecular movements. This method was
applied to predict the viscosity of lubricant molecules in confinement with
shear flow. Furthermore, simplicity facilitates the interpretation of the model
to understand the molecular mechanics of viscosity. We revealed two types of
molecular mechanisms that contribute to low viscosity.
分子が関わる伝熱・熱工学ナノ多孔質体に閉じ込められた物質の固液相転移現象と自己組織化現象

金子敏宏, 荒井規允, 泰岡顕治

伝熱 56 ( 236 ) 2017

ISSN 1344-8692
Erratum: Self-assembly of Janus nanoparticles with a hydrophobic hemisphere in nanotubes (Soft Matter (2016) 12 (378-385))

Kobayashi Y., Arai N.

Soft Matter (Soft Matter) 12 ( 6 ) 1924 2016

ISSN 1744683X
- Access to Document (DOI)
C221 The phase behavior and structure of binary liquid crystal using dissipative particle dynamics simulation !

Nishiyama Yuichiro, Arai Noriyoshi

Procee[d]ings of Thermal Engineering Conference (The Japan Society of Mechanical Engineers) 2015 "C221 - 1"-"C221-2" 2015.10

　View Summary

In this study, we carried out a dissipative particle dynamics simulation about two kind of the length liquid crystal molecules. In this simulation, we observed phases as a volume fraction of liquid crystal molecules as a parameter with temperature change. As a result, we found that a transition temperature from isotropic phase to nematic phase depends on the volume fraction.

Presentations 【 Display / hide 】

Clarifying mechanism of water permeation in polymeric membranes and synthetic strategy for water-inhibiting functional polymers

N Arai, Y. Araki

6th International Conference on Multifunctional, Hybrid and Nanomaterials (MYMA2019),

2019.03
,
Poster presentation
Structural analysis of cholesteric liquid crystal orientation in nanotube: Dissipative particle dynamics simulation

H. Tsujinoue, T. Nozawa, N. Arai

6th International Conference on Multifunctional, Hybrid and Nanomaterials (MYMA2019),

2019.03
,
Poster presentation
Self-assembly of various patchy nanoparticles in nanoslit using molecular simulation

Y. Kobayashi, N. Arai, K. Nomura

6th International Conference on Multifunctional, Hybrid and Nanomaterials (MYMA2019),

2019.03
,
Poster presentation
Relationship between water permeation and flip-flops motion of lipid membrane

T Inokuchi, N. Arai

6th International Conference on Multifunctional, Hybrid and Nanomaterials (MYMA2019),

2019.03
,
Poster presentation
Polymorphic transition of liquid crystal droplet: Dissipative particle dynamics study

H. Tsujinoue, T. Inokuchi, N. Arai

6th International Conference on Multifunctional, Hybrid and Nanomaterials (MYMA2019),

2019.03
,
Poster presentation

Research Projects of Competitive Funds, etc. 【 Display / hide 】

Design of materials with thermo-switching function based on molecular-level understanding of thermal conduction

2019.11

-

2020.10

The Sumitomo Foundation, Grant for Basic Science Research Projects, Noriyoshi Arai, Principal investigator
Molecular Mechanism of Tom's Effect by Self-Assembly of Surfactant Molecules

2017.04

-

2020.03

MEXT,JSPS, Grant-in-Aid for Scientific Research, Arai Noriyoshi, Grant-in-Aid for Young Scientists (B), Principal investigator

　View Summary

To investigate the molecular mechanism of the Toms effect, coarse-grained molecular simulations were performed to reproduce the behavior of surfactant aqueous solutions in a tube flow. When the hydrophilic wall of the tube, shear thinning is observed regardless of the concentration of the surfactants, whereas in the hydrophobic tube, Newtonian fluid-like behavior and shear thickening are observed. The tube diameter was extended to reproduce the behavior of the surfactant solution in the turbulent and laminar-to-turbulence transition regions. A shear-induced structure, in which rod-like micelles clustered near the center of the tube, was observed, suggesting that the change in the structure affected the drag reduction.
Self-assembled structure of Janus nanoparticles using dissipative particle dynamics simulation

2013.04

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2015.03

The University of Electro-Communications, ARAI Noriyoshi, Grant-in-Aid for Young Scientists (B), No Setting

　View Summary

Self-assembly of nanoparticles is used in various functional materials that are familiar to our daily lives. In other words, the self-assembly and those functions have a strong relation. The Janus nanoparticle is a unique anisotropic nanoparticle that typically has two or more distinct functional surface regions (for example, hydrophobic and hydrophilic regions). In this study, I have performed molecular simulations to investigate morphologies of the self-assembled Janus nanoparticles. As a result, evidence of rich polymorphic structures of the Janus nanoparticles is revealed for the first time, and I found some conditions which are observed highly ordered morphologies tend to form.

Awards 【 Display / hide 】

Presentation Award

Noriyoshi Arai, 2017.09, 日本機械学会ソフトマターイノベーション, 散逸粒子動力学法を用いたテレケリックポリマー水溶液のせん断流れ下の振る舞い
International Conference Paper Presentation Encouragement Award

Noriyoshi Arai, 2006.09, Keio University, Dissipative Particle Dynamics of surfactant threadlike micellar solutions

Courses Taught 【 Display / hide 】

PROJECT LABORATORY IN MECHANICAL ENGINEERING

2024
LABORATORIES IN SCIENCE AND TECHNOLOGY

2024
INTRODUCTION TO THERMODYNAMICS

2024
INDEPENDENT STUDY ON SCIENCE FOR OPEN AND ENVIRONMENTAL SYSTEMS

2024
GRADUATE RESEARCH ON SCIENCE FOR OPEN AND ENVIRONMENTAL SYSTEMS 2

2024

Media Coverage 【 Display / hide 】

界面活性剤を利用したホコリ除去について

テレビ東京, ヒャッキン, 2018.05

Memberships in Academic Societies 【 Display / hide 】

The Heat Transfer Society of Japan,

2018.04

-

Present
Smart Processing Society for Materials, Environment & Energy,

2016.04

-

2018.03
The Japan Society of Mechanical Engineers,

2009.04

-

Present
The Molecular Simulation Society of Japan,

2007.04

-

Present
The Society of Rheology, Japan,

2006.04

-

Present

Committee Experiences 【 Display / hide 】

2017.04

-

2018.03

第30回計算力学講演会実行委員副幹事, 日本機械学会計算力学部門
2016.04

-

2017.03

第30回分子シミュレーション討論会実行委員, 分子シミュレーション学会
2016.04

-

2017.03

編集委員, スマートプロセス学会
2015.04

-

2019.03

編集委員, 分子シミュレーション学会
2015.04

-

2019.03

編集委員, 分子シミュレーション学会