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: Professor

E-mail Address

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 】

2009.04

-

2010.03

THe University of Electro-Communications, Department of Mechanical Engineering and Intelligent Systems, Assistant Professor
2009.04

-

2019.03

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

-

2023.03

RIKEN , Computational Astrophysics Laboratory, Visiting Researcher
2010.04

-

2014.03

The University of Electro-Communications, Department of Mechanical Engineering and Intelligent Systems, Assistant Professor
2012.04

-

2013.03

University of Nebraska-Lincoln, Department of Chemistry, Visiting Assistant Professor

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 (Micelle, Vesicle, Lamellar, bi-layer)
Nanotechnology/Materials / Nano/micro-systems (Active matter, Molecular motor, nano-pump)
Nanotechnology/Materials / Polymer materials (Polymer, Surfactant, Liquid crystal, Colloid, Emulsion)

Research Keywords 【 Display / hide 】

Soft Matter
confined system
molecular simulation
dissipative particle dynamics
machine learning

Research Themes 【 Display / hide 】

Deepening Materials Development by Combining Molecular Simulation and Machine Learning,

2017

-

Present

　View Summary

We reproduce the behavior of various polymer materials by molecular simulation, and combine the obtained results with machine learning to challenge the realization of highly efficient material design and unexplored physical properties.
Elucidation of Biological Functions and Design of Nanomachines by Molecular Simulation,

2007

-

Present

　View Summary

The molecular simulation of biomembranes, molecular motors, and other in vivo functionalities is used to extract their essence and design new nano-machines.
Elucidating the Mechanism of Functional Materials by Molecular Simulation,

2005

-

Present

　View Summary

We reproduce the behavior of various functional materials (polymer materials, surfactant materials, liquid crystal materials, etc.) by molecular simulation methods to elucidate the mechanisms by which their functionality is manifested.

Proposed Theme of Joint Research 【 Display / hide 】

Molecular simulation and machine learning for the design of functional materials

Interested in joint research with industry (including private organizations, etc.), Desired form： Technical Consultation, Funded Research, Cooperative Research

　View Summary

The challenge is to visualize the inside of materials by molecular simulation and to reveal the molecular origins of physical properties and functionalities. In some cases, we will combine the obtained results with machine learning to examine how to improve the efficiency of materials development.
Molecular simulation and machine learning for the design of functional materials

Interested in joint research with other research organizations (including universities, etc.), Desired form： Cooperative Research

　View Summary

The program aims to clarify the molecular origins of soft matter's excellent physical properties and functionalities and to create new materials by establishing complementary tasks between experiments and simulations.

Books 【 Display / hide 】

実験の自動化・自律化によるR&Dの効率化と運用方法

荒井規允　他, 技術情報協会, 2023.01, Page： 545

Scope: 第7章第5節 AIと分子シミュレーションを組み合わせたソフトマター材料の物性予測と開発効率化 , Accepted
高分子材料の事典

荒井規允, 朝倉書店, 2022.11, Page： 630

Scope: 第5章3節: 散逸粒子動力学シミュレーション, Contact page：第5章3節: 散逸粒子動力学シミュレーション , Accepted
化学便覧基礎編改訂6版

荒井規允，泰岡顕治　他, 丸善出版, 2021.01, Page： 1534

Scope: 17.1.3 分子シミュレーション i.粗視化ポテンシャル , Accepted
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　他, 情報機構, 2020.07, Page： 390

Contact page：第5章第4節第1項ＡＩと分子シミュレーションを用いた材料物性の予測 , Accepted
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, 2019.07, Page： 586

Scope: 第2章第9節「AIによる界面活性剤の性質予測」 , Accepted
- CiNii Research

Papers 【 Display / hide 】

Effect of Propylene–Oxide Segment Length on Cleansing Performance of Detergents With Nonionic Surfactants

Naoya Osato, Akinori Joko, Hayata Ikeda, Noriyoshi Arai

Journal of Surfactants and Detergents 2025.07

ISSN 1097-3958

　View Summary

Understanding the relationship between surfactant molecular structure and cleansing performance is essential for the rational design of high-performance detergents. In this study, we investigate the effect of propylene oxide (PO) chain length on the detergency of nonionic surfactants through a combination of experimental measurements and coarse-grained molecular simulations. Experimentally, detergency tests revealed that increasing the PO content leads to a systematic decrease in cleansing performance. Dissipative particle dynamics simulations were performed to elucidate the molecular basis of this behavior. In bulk aqueous solutions, all surfactants self-assembled into micelles, with longer PO chains resulting in slightly larger and more diffuse micellar structures. At a model dirt surface, surfactants with longer PO chains exhibited stronger adsorption and slower desorption under flow conditions compared to surfactants without PO units. These findings suggest that while PO segments enhance interfacial adsorption, excessive retention at the surface can hinder soil removal, thereby reducing overall detergency. This combined experimental and simulation approach provides molecular-level insights into designing optimized nonionic surfactants for practical cleansing applications.
- Access to Document (DOI)
Molecular insights into the motion of oil droplets in aqueous solutions of ester- and amide-containing cationic surfactants

Ueno K., Ishiwatari Y., Sasaki K., Kojima T., Takai A., Asakura K., Arai N., Banno T.

Journal of Molecular Liquids 426 2025.05

ISSN 01677322

　View Summary

The study of self-propelled motion in soft matter systems has garnered significant interest owing to its potential applications in microfluidics, soft robotics, and autonomous system design. Understanding the molecular mechanisms underlying motility is crucial for advancing these applications. This study investigates the self-propelled motion of lauronitrile oil droplets in aqueous surfactant solutions, focusing on the impact of different surfactant molecular structures on droplet dynamics. This study compares surfactants with ester and amide linkages, highlighting their critical role in modulating interfacial tension and driving Marangoni convection, a key factor behind droplet movement. Surfactants with ester linkages exhibit a high affinity for lauronitrile and rapidly adsorb at the oil–water interface, generating strong Marangoni flows and driving fast droplet motion. In contrast, amide-containing surfactants exhibit slower adsorption and weaker interactions with lauronitrile, leading to reduced or absent motion. These findings provide new insights into the molecular mechanisms underlying the self-propelled droplet behavior in non-equilibrium systems and contribute to a deeper understanding of self-organizing phenomena.
- Access to Document (DOI)
Investigating the Nanostructure Design Mechanism Behind the Hydrophobicity of the Biomimetic Surface

Fan Meng, Jialong Liu, Noriyoshi Arai

ACS Applied Materials & Interfaces 17 ( 15 ) 23394 - 23404 2025.04

ISSN 1944-8244

　View Summary

Wettability, a fundamental physicochemical property of functional materials that depends on their surface structure, has seen recent advances in understanding that have led to the development of superhydrophobic surfaces with applications in self-cleaning materials and antifogging coatings. Given the presence of a free energy barrier between the Cassie and Wenzel states, calculating this barrier provides a valuable means to assess surface hydrophobicity. We hypothesize that surface characteristics affect the free energy barrier between wetting states and that the determination of this barrier can be used to predict the hydrophobicity. Focused on models of a butterfly wing (striped surface) and a mosquito eye (pillared surface), this study employed many-body dissipative particle dynamics (mDPD) simulations to explore the relationship between the free energy barrier and surface roughness (height and spacing). For small-radius droplets, the height of the surface pattern predominantly influences the hydrophobicity. Conversely, for large-radius droplets, the spacing of the surface pattern is the dominant factor. Considering that the contact angle indicates static hydrophobicity, the free energy barrier is the indicator of dynamic hydrophobicity, which shows how well the surface can maintain its hydrophobicity under the impact of a droplet. This study underscores the advantages of the free energy barrier method in understanding dynamic hydrophobicity, which can be applied in evaluating high kinetic energy droplets onto surfaces, for example, automobiles, trains, and aircraft.
- Access to Document (DOI)
Synthesis of Amorphous Graphene and Graphene Oxide Analogues

Tomoki Sakuma, Ryoichi Sato, Akihiro Yamaguchi, Hiroaki Imai, Noriyoshi Arai, Yuya Oaki

Journal of the American Chemical Society 147 ( 13 ) 11564 - 11573 2025.04

ISSN 0002-7863

　View Summary

Graphene and graphene oxide (GO) are promising two-dimensional nanomaterials. An ultimate goal is to achieve large-scale bottom-up syntheses of perfect graphene and GO. However, controlled syntheses of perfect graphitic structures still remain challenges in chemistry and materials science. Moreover, amorphous types have not received much attention. The present work shows syntheses, structures, and applications of amorphous graphene and GO analogues alternative to the ideal ones. The simultaneous multiple reactions of two conjugated monomers provide amorphous conjugated polymer networks containing low-crystalline graphitic domains and their stacking. The stacked amorphous graphene and GO are exfoliated into thin nanosheets including few-layers and monolayers. Moreover, in situ syntheses of the amorphous GO analogues are applied to obtain a reinforced plastic with high mechanical strength. The present work implies that various functional nanocarbons can be designed and synthesized by tailored combinations of conjugated monomers.
- Access to Document (DOI)
Effects of grafting architecture of amphiphilic polymer-grafted nanoparticles on stabilization mechanisms of concentrated emulsions

Suzuki, K; Kobayashi, Y; Yamazaki, T; Tsuji, T; Arai, N

COLLOID AND INTERFACE SCIENCE COMMUNICATIONS 65 2025.03

ISSN 2215-0382

　View Summary

This study explores the stabilization mechanisms of concentrated emulsions with tunable morphology using amphiphilic polymer-grafted nanoparticles (PGNPs). We employ coarse-grained molecular simulations to investigate concentrated oil-in-water emulsions stabilized by partially hydrolyzed poly(vinyl alcohol)-grafted poly(methyl methacrylate) (PMMA) particles. Two grafting architectures were examined: hydrophilic-hydrophobic (AB-type) diblock PGNPs and reverse BA-type diblock PGNPs. Our findings reveal that AB-type diblock PGNPs tend to aggregate, leading to droplet-droplet coalescence. In contrast, BA-type diblock PGNPs disperse effectively in the water phase, stabilizing robust emulsion through a space-filling mechanism. The study further demonstrates that the stability and morphology of the emulsions can be tuned by varying the number of PGNPs. Our results suggest that BA-type diblock PGNPs are more effective in stabilizing concentrated emulsions, offering insights for the design of novel emulsifiers in industrial applications.
- 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.
- CiNii Research

Presentations 【 Display / hide 】

A Effect of graft design of amphiphilic polymers on the stability of concentrated Pickering emulsions

Kojiro Suzuki, Yusei Kobayashi, Takashi Yamazaki, Toshikazu Tsuji, Noriyoshi Arai

38th Conference of the European Colloid & Interface Society (Copenhagen) ,

2024.09
,
Other
Biomimetic surfaces: Assessing free energy barrier using molecular simulation

Fan Meng, Noriyoshi Arai

38th Conference of the European Colloid & Interface Society (Copenhagen) ,

2024.09
,
Other
Prediction of self-assembly structures in multicomponent surfactant systems using graph convolution network

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

27th International Congress of Chemical and Process Engineering (Prague) ,

2024.08
,
Other
Quantitative analysis of mesoscale self-assembly structures using machine learning and molecular simulation

Naoya Osato, Takeo Sudo, Satoki Ishiai, Yuki Ishiwatari, Takahiro Yokoyama, Kenji Yasuoka, Noriyoshi Arai

27th International Congress of Chemical and Process Engineering (Prague) ,

2024.08
,
Other
Understanding molecular interactions at the adhesion interface between amorphous thermoplastic starch and biodegradable polyesters

Akihiro Yamaguchi, Noriyoshi Arai

27th International Congress of Chemical and Process Engineering (Prague) ,

2024.08
,
Other

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

-

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

2025
LABORATORIES IN SCIENCE AND TECHNOLOGY

2025
INTRODUCTION TO THERMODYNAMICS

2025
INDEPENDENT STUDY ON SCIENCE FOR OPEN AND ENVIRONMENTAL SYSTEMS

2025
GRADUATE RESEARCH ON SCIENCE FOR OPEN AND ENVIRONMENTAL SYSTEMS 2

2025

Courses Previously Taught 【 Display / hide 】

物理学実験

近畿大学

2014.04

-

2019.03
,
Full academic year, Undergraduate (specialized), Laboratory work/practical work/exercise, Within own ｆaculty
博士研究

近畿大学

2014.04

-

2019.03
,
Full academic year, Postgraduate, Lecture, Within own ｆaculty
修士研究

近畿大学

2014.04

-

2019.03
,
Full academic year, Postgraduate, Lecture, Within own ｆaculty
卒業研究

近畿大学

2014.04

-

2019.03
,
Full academic year, Undergraduate (specialized), Laboratory work/practical work/exercise, Within own ｆaculty
学際講義(熱・流体分野)

近畿大学

2014.04

-

2019.03
,
Spring Semester, Postgraduate, Lecture, Within own ｆaculty

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 】

日本冷凍空調学会,

2024.11

-

Present
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

Committee Experiences 【 Display / hide 】

2025.04

-

Present

冷媒容器管理システム調査研究プロジェクト委員, 日本冷凍空調学会
2024.12

-

Present

編集幹事, 分子シミュレーション学会
2022.04

-

Present

関東支部学生会役員, 日本機械学会
2022.04

-

Present

共同研究課題審査委員, 学際大規模情報基盤共同利用・共同研究拠点
2022.04

-

Present

スパコン共同利用課題審査委員, 物性研