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

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

- Keio University KLL Research Associate
2009

- University of Electro-Communications Assistant Professor
2009.04

-

Present

RIKEN, Computational Astrophysics Laboratory, Visiting Researcher
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

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　他, 朝倉書店（高分子学会編集）, 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

Papers 【 Display / hide 】

Molecular modelling of active oil droplet propulsion: Insights from dissipative particle dynamics simulation

Ken Sasaki, Yuuki Ishiwatari, Kazuki Ueno, Tomoya Kojima, Taisuke Banno, Noriyoshi Arai

Chemical Physics Letters 857 2024.12

Research paper (scientific journal), Last author, Accepted, ISSN 0009-2614

　View Summary

This study employed dissipative particle dynamics (DPD) simulations to investigate the self-propelled motion of oil droplets in water–oil–surfactant systems. It is the first attempt to replicate self-propulsion models of oil droplets at the molecular level, contrasting previous simulations focused on Brownian motion and hydrodynamic behaviour of colloidal particles. The DPD model reproduced droplet propulsion and visualised internal Marangoni flow, showing that larger droplet radii and greater interfacial tension differences increase propulsion speeds. Additionally, surfactants with stronger oil–oil repulsion enhanced propulsion speed, suggesting that surfactant-induced local structures are crucial for the self-propulsion mechanism.
- Access to Document (DOI)
Corrigendum to “Poly(vinyl alcohol)-modified poly(methyl methacrylate) particles for solid-stabilized oil-in-water emulsions” [Colloids Surf. A: Physicochem. Eng. Asp. 697 (2024) 134433]

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

Colloids and Surfaces A: Physicochemical and Engineering Aspects (Elsevier BV) 135683 - 135683 2024.11

Research paper (scientific journal), Accepted, ISSN 0927-7757
- Access to Document (DOI)
Poly(vinyl alcohol)-modified poly(methyl methacrylate) particles for solid-stabilized oil-in-water emulsions

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

Colloids and Surfaces A: Physicochemical and Engineering Aspects (Elsevier BV) 697 134433 - 134433 2024.09

Research paper (scientific journal), Accepted, ISSN 0927-7757

　View Summary

In this study, submicron poly(methyl methacrylate) (PMMA) particles with surfaces modified using poly(vinyl alcohol) (PVA) (PMMA-PVA) were produced to formulate solid-stabilized oil-in-water (O/W) emulsions including high internal phase emulsions with a dispersed phase of over 74 %. The high-internal phase emulsions stabilized by PMMA–PVA exhibited gel-like behavior, and the oil droplets exhibited faceted shapes. PVA with a degree of saponification of 80 and 88 mol% was used as the surface modifier rather than PVA with > 96 mol%, assisting in the formation of a robust adsorbed layer on the PMMA particles. Coarse-grained molecular simulations revealed that the partially-hydrolyzed PVA exhibited a better adsorption behavior compared to the fully-hydrolyzed PVA, being thermodynamically adsorbed onto the PMMA surface in water owing to stable adsorption via its hydrophobic acetyl groups. Furthermore, PMMA–PVA reduced the interfacial tension as the degree of saponification of PVA decreased. Simulation and experimental results suggested that the acetyl groups of PVA not only adsorbed onto the PMMA surface but also promoted adsorption between PMMA and the oil–water interface. Overall, the findings of this study underscore the potency of PMMA–PVA as a particulate stabilizer for formulating O/W high internal phase emulsions.
- Access to Document (DOI)
Coarse-grained molecular simulation of the effect of liquid crystal molecular pitch on structure in cylindrical confinement

Takumi Sato, Hiroaki Tsujinoue, Noriyoshi Arai, Kazuaki Z. Takahashi

Physical Review E 110 ( 1 ) 014701 2024.07

Research paper (scientific journal), Accepted, ISSN 2470-0045

　View Summary

Blue phases (BPs) consist of three-dimensional self-assembled structures formed by a double-twisted columnar arrangement of liquid crystal molecules. Although their unique optical and structural properties render BPs particularly useful for applications such as liquid crystal displays, BPs typically appear in a narrow temperature range between the isotropic and nematic phases. This thermodynamic instability impedes their practical applicability. However, the simulations we present here showed that, in a quasi-one-dimensional system confined to nanospace, a phase equivalent to the BP appears and persists between the nematic and smectic phases. Confinement to a nanotube (NT) with a relatively small radius enables the BP to be maintained over a wide temperature range, whereas for an NT with a relatively larger radius, the BP appears only in a very narrow temperature range between the aforementioned phases. We additionally showed that the pitch of the BP is dependent on and can be controlled by adjusting the radius of the NTs. This finding has significant implications for the potential application of these materials in fields such as photonics and chiral separation technologies.
- Access to Document (DOI)
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

Research paper (scientific journal), Last author, Accepted, 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)

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 】

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 】

ADVANCED COURSE OF ENVIRONMENT AND ENERGY 1

2024
ADVANCED COURSE OF COMPUTATIONAL SOFT MATTER

2024
BACHELOR'S THESIS

2024
PROJECT LABORATORY IN MECHANICAL ENGINEERING

2024
LABORATORIES IN SCIENCE AND TECHNOLOGY

2024

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 】

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
2022.04

-

2024.03

事業企画委員会委員, 日本工学会
2022.04

-

2022.12

第36回数値流体力学シンポジウム副幹事, 日本流体力学会