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

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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

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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

  • 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」

  • 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」

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Papers 【 Display / hide

  • Molecular insight into toughening induced by core-shell structure formation in starch-blended bioplastic composites

    Yamaguchi Akihiro, Arai Satoshi, Arai Noriyoshi

    CARBOHYDRATE POLYMERS (Carbohydrate Polymers)  315   120974 2023.09

    ISSN  0144-8617

     View Summary

    Binary and ternary blends with poly(lactic acid) (PLA), poly(butylene succinate) (PBS), and thermoplastic starch (TPS) were prepared by a melt process to produce biodegradable biomass plastics with both economical and good mechanical properties. The mechanical and structural properties of each blend were evaluated. Molecular dynamics (MD) simulations were also conducted to examine the mechanisms underlying the mechanical and structural properties. PLA/PBS/TPS blends showed improved mechanical properties compared with PLA/TPS blends. The PLA/PBS/TPS blends with a TPS ratio of 25–40 wt% showed higher impact strength than PLA/PBS blends. Morphology observations showed that in the PLA/PBS/TPS blends, a structure similar to that of core-shell particles with TPS as the embedding phase and PBS as the coating phase was formed, and that the trends in morphology and impact strength changes were consistent. The MD simulations suggested that PBS and TPS tightly adhered to each other in a stable structure at a specific intermolecular distance. From these results, it is clear that PLA/PBS/TPS blends are toughened by the formation of a core-shell structure in which the TPS core and the PBS shell adhered well together and stress concentration and energy absorption occurred in the vicinity of the core-shell structure.

  • Aggregation of amphiphilic nanocubes in equilibrium and under shear

    Yokoyama Takahiro, Kobayashi Yusei, Arai Noriyoshi, Nikoubashman Arash

    SOFT MATTER (Soft Matter)  19 ( 34 ) 6480 - 6489 2023.08

    ISSN  1744-683X

     View Summary

    We investigate the self-assembly of amphiphilic nanocubes into finite-sized aggregates in equilibrium and under shear, using molecular dynamics (MD) simulations and kinetic Monte Carlo (KMC) calculations. These patchy nanoparticles combine both interaction and shape anisotropy, making them valuable models for studying folded proteins and DNA-functionalized nanoparticles. The nanocubes can self-assemble into various finite-sized aggregates ranging from rods to self-avoiding random walks, depending on the number and placement of the hydrophobic faces. Our study focuses on suspensions containing multi- and one-patch cubes, with their ratio systematically varied. When the binding energy is comparable to the thermal energy, the aggregates consist of only few cubes that spontaneously associate/dissociate. However, highly stable aggregates emerge when the binding energy exceeds the thermal energy. Generally, the mean aggregation number of the self-assembled clusters increases with the number of hydrophobic faces and decreases with increasing fraction of one-patch cubes. In sheared suspensions, the more frequent collisions between nanocube clusters lead to faster aggregation dynamics but also to smaller terminal steady-state mean cluster sizes. The results from the MD and KMC simulations are in excellent agreement for all investigated two-patch cases, whereas the three-patch cubes form systematically smaller clusters in the MD simulations compared to the KMC calculations due to finite-size effects and slow aggregation kinetics. By analyzing the rate kernels, we are able to identify the primary mechanisms responsible for (shear-induced) cluster growth and breakup. This understanding allows us to tune nanoparticle and process parameters to achieve desired cluster sizes and shapes.

  • Reproduction of super-multicomponent self-assembled structures and their functionality using coarse-grained molecular simulation – the example of cleansing agents

    Takahiro Yokoyama, Hideki Miwake, Masugu Hamaguchi, Ryoichi Nakatake, Noriyoshi Arai

    Molecular Systems Design & Engineering (Molecular Systems Design and Engineering)  8 ( 4 ) 538 - 550 2023.04

    ISSN  2058-9689

     View Summary

    Self-assembly of multi-component systems can provide a large variety of functions, which is impossible for a single-component system, and those multi-component derived functional materials attract attention in various fields such as biomedical, engineering, and materials science. This gives multi-component systems importance, but molecular elucidation of such systems is a major challenge, since this type of complex system has large degrees of freedom. In this study, we focused on cleansing agents as multi-component systems, which are cosmetics products mainly used to remove oily compounds such as makeup, and are multi-component aqueous solutions consisting of many surfactants, moisturizers, and pH regulators. Our aim is to link the macroscopic properties of multi-component systems with the mesoscale structures to elucidate the molecular evidence of functions. We have studied the self-assembled morphologies of cleansing agents using coarse-grained molecular simulations as mesoscale structures and compared them to cleansing performance as a macroscopic property. From the simulation results of morphologies and the experimental results of performance, the key features which explain their functionalities were examined. As a result, it was quantitatively shown that the distribution of specific particles or molecules such as hydrophobic particles both in the bulk state and when they are applied on dirty surfaces is one of the clues to explain the performance. Through molecular designing based on this result, it will be much easier to reach the desired property or performance in the field of multi-component functional materials. Thus, this molecular simulation method will push the field of materials science and materials informatics forward.

  • Wetting hysteresis induces effective unidirectional water transport through a fluctuating nanochannel

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

    NANOSCALE HORIZONS (Nanoscale Horizons)  8 ( 5 ) 652 - 661 2023.02

    ISSN  2055-6756

     View Summary

    We propose a water pump that actively transports water molecules through nanochannels. Spatially asymmetric noise 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 closed 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 pressure differences 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 of the energy conversion efficiency.

  • Combining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in the Low Shear Regime

    Yasuda I., Kobayashi Y., Endo K., Hayakawa Y., Fujiwara K., Yajima K., Arai N., Yasuoka K.

    ACS Applied Materials and Interfaces (ACS Applied Materials and Interfaces)  15 ( 6 ) 8567 - 8578 2023.02

    ISSN  19448244

     View Summary

    Lubricants with desirable frictional properties are important in achieving an energy-saving society. Lubricants at the interfaces of mechanical components are confined under high shear rates and pressures and behave quite differently from the bulk material. Computational approaches such as nonequilibrium molecular dynamics (NEMD) simulations have been performed to probe the molecular behavior of lubricants. However, the low-shear-velocity regions of the materials have rarely been simulated owing to the expensive calculations necessary to do so, and the molecular dynamics under shear velocities comparable with that in the experiments are not clearly understood. In this study, we performed NEMD simulations of extremely confined lubricants, i.e., two molecular layers for four types of lubricants confined in mica walls, under shear velocities from 0.001 to 1 m/s. While we confirmed shear thinning, the velocity profiles could not show the flow behavior when the shear velocity was much slower than thermal fluctuations. Therefore, we used an unsupervised machine learning approach to detect molecular movements that contribute to shear thinning. First, we extracted the simple features of molecular movements from large amounts of MD data, which were found to correlate with the effective viscosity. Subsequently, the extracted features were interpreted by examining the trajectories contributing to these features. The magnitude of diffusion corresponded to the viscosity, and the location of slips that varied depending on the spherical and chain lubricants was irrelevant. Finally, we attempted to apply a modified Stokes-Einstein relation at equilibrium to the nonequilibrium and confined systems. While systems with low shear rates obeyed the relation sufficiently, large deviations were observed under large shear rates.

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

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.

  • 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

  • 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.

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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

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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

    2023

  • LABORATORIES IN SCIENCE AND TECHNOLOGY

    2023

  • INTRODUCTION TO THERMODYNAMICS

    2023

  • INDEPENDENT STUDY ON SCIENCE FOR OPEN AND ENVIRONMENTAL SYSTEMS

    2023

  • INDEPENDENT STUDY FOR EXCHANGE STUDENT A

    2023

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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

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