Kikugawa Group, Institute of Fluid Science, Tohoku University

Molecular Composite Flow Laboratory

Journal papers

  • Yinbo Zhao, Gota Kikugawa, Zhengming Huang, and Yan Li, Length effect of short base resin on thermomechanical properties of crosslinked epoxy resin via molecular dynamics simulation, International Journal of Heat and Mass Transfer, Vol. 225, 125400 (2024).doi:10.1016/j.ijheatmasstransfer.2024.125400
  • Yinbo Zhao, Gota Kikugawa, Keiichi Shirasu, Yoshiaki Kawagoe, and Tomonaga Okabe, Constructing and characterizing various multi-component crosslinked epoxy resins based on molecular dynamics simulations with a curing reaction model, Polymer, Vol. 297, 126817 (2024).doi:10.1016/j.polymer.2024.126817
  • Yoshiaki Kawagoe, Gota Kikugawa, Keiichi Shirasu,Yuuki Kinugawa, and Tomonaga Okabe, Dissipative particle dynamics simulation for reaction-induced phase separation of thermoset/thermoplastic blend, Journal of Physical Chemistry B, Vol. 128, pp. 2018–2027 (2024). doi:10.1021/acs.jpcb.3c07756
  • Kiran Rathod, Sai Charan Ravula, Prasanna Sai Chandra Kommireddi, Rahul Thangeda, Gota Kikugawa, Hari Krishna Chilukoti, Predicting thermophysical properties of alkanes and refrigerants using machine learning algorithms, Fluid Phase Equilibria, Vol. 578, 114016 (2024). doi:10.1016/j.fluid.2023.114016
  • Hiroki Yamaguchi and Gota Kikugawa, Thermal transpiration flow: Molecular dynamics study from dense to dilute gas, Fluids, Vol. 9, 12 (2024). doi.org:10.3390/fluids9010012
  • Yukun Bai, Yingxiao Xi, Shoji Fukunaga, Gota Kikugawa, and Naoki Kishimoto, Development of a multistep-GRRM/MC/MD simulation method for the formation of crosslinked network structures via multistep reversible reaction pathways, Polymer, Vol. 292, 126606 (2024). doi:10.1016/j.polymer.2023.126606
  • Keiichi Shirasu, Yudai Yamaguchi, Yamato Hoshikawa, Gota Kikugawa, Hironori Tohmyoh, and Tomonaga Okabe, Micromechanics study of short carbon fiber-reinforced thermoplastics fabricated via 3D printing using design of experiments, Materials Science and Engineering: A, Vol. 891, 145971 (2024). doi:10.1016/j.msea.2023.145971
  • Yingxiao Xi, Hironobu Fukuzawa, Shoji Fukunaga, Gota Kikugawa, Yinbo Zhao, Yoshiaki Kawagoe, Tomonaga Okabe, and Naoki Kishimoto, Development of cat-GRRM/MC/MD method for the simulation of cross-linked network structure formation with molecular autocatalysis, Molecular Catalysis, Vol. 552, 113680 (2024). doi:10.1016/j.mcat.2023.113680
  • Takamasa Saito, Masaki Kubo, Takao Tsukada, Eita Shoji, Gota Kikugawa, Donatas Surblys, and Momoji Kubo, Molecular dynamics simulations for interfacial structure and affinity between carboxylic acid-modified Al₂O₃ and polymer melts, Journal of Chemical Physics, Vol. 159, 164708 (2023). doi:10.1063/5.0169721
  • Takamasa Saito, Ryo Takebayashi, Masaki Kubo, Takao Tsukada, Eita Shoji, Gota Kikugawa, and Donatas Surblys, Effect of surface modifier and solvent on the affinity between the surface-modified solid and organic solvent: A molecular dynamics study, AIP Advances, Vol. 12 (2022), 105206. doi:10.1063/5.0119681
  • Yinbo Zhao, Gota Kikugawa , Yoshiaki Kawagoe, Keiichi Shirasu, and Tomonaga Okabe, Molecular-scale investigation on relationship between thermal conductivity and the structure of crosslinked epoxy resin, International Journal of Heat and Mass Transfer, Vol. 198 (2022), 123429. doi:10.1016/j.ijheatmasstransfer.2022.123429
  • Yasutaka Yamaguchi, Hiroki Kusudo, Carlos Bistafa, Donatas Surblys, Takeshi Omori, and Gota Kikugawa, Nanoscale Wetting and Its Connection with Macroscopic Young's Equation, ECS Transactions, Vol. 108 (2022), pp. 93-102. doi:10.1149/10804.0093ecst
  • 川越吉晃, 小森翔平, 菊川豪太, 白須圭ー, 岡部朋永, シアネート硬化工ポキシ樹脂の熱機械特性に関する実験的評価と分子動力学シミュレーション, 日本複合材料学会誌, Vol. 48 (2022), pp. 134-141, (in Japanese).
  • Yoshiaki Kawagoe, Kenji Kawai, Yuta Kumagaia, Keiichi Shirasa, Gota Kikugawa, Tomonaga Okabe, Multiscale modeling of process-induced residual deformation on carbon-fiber-reinforced plastic laminate from quantum calculation to laminate scale finite-element analysis, Mechanics of materials, Vol. 170 (2022), 104332. doi:10.1016/j.mechmat.2022.104332
  • Yinbo Zhao, Gota Kikugawa, Yoshiaki Kawagoe, Keiichi Shirasu, Naoki Kishimoto, Yingxiao Xi and Tomonaga Okabe, Uncovering the mechanism of size effect on thermomechanical properties of highly crosslinked epoxy resin, Journal of Physical Chemistry B, Vol. 126 (2022), pp. 2593–2607. doi:10.1021/acs.jpcb.1c10827
  • Yutaka Oya, Gota Kikugawa, Tomonaga Okabe, and Toshihiro Kawakatsu, Density functional theory for polymer phase separations induced by coupling of chemical reaction and elastic stress, Advanced Theory and Simulations, Vol. 5 (2022), 2100385. doi:10.1002/adts.202100385
  • Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Methodology and meaning of computing heat flux via atomic stress in systems with constraint dynamics, Journal of Applied Physics, Vol. 130 (2021), 215104. doi:10.1063/5.0070930
  • Yutaka Oya, Gota Kikugawa, Tomonaga Okabe, and Toshihiro Kawakatsu, Density functional theory for polymer phase separations induced by coupling of chemical reaction and elastic stress, Advanced Theory and Simulations, online access (2021), 2100385. doi:10.1002/adts.202100385
  • Yoshiaki Kawagoe, Gota Kikugawa, Keiichi Shirasu, and Tomonaga Okabe, Thermoset resin curing simulation using quantum-chemical reaction path calculation and dissipative particle dynamics, Soft Matter, Vol. 17 (2021), pp. 6707–6717. doi:10.1039/d1sm00600b
  • Takamasa Saito, Eita Shoji, Masaki Kubo, Takao Tsukada, Gota Kikugawa, and Donatas Surblys, Evaluation of the work of adhesion at the interface between a surface-modified metal oxide and an organic solvent using molecular dynamics simulations, Journal of Chemical Physics, Vol. 154 (2021), 114703. doi:10.1063/5.0040900
  • Leton Chandra Saha and Gota Kikugawa, Heat conduction performance over poly(ethylene glycol) self-assembled monolayer/water interface: A molecular dynamics study, Journal of Physical Chemistry B, Vol. 125 (2021), pp. 1896–1905. doi:10.1021/acs.jpcb.0c09385
  • Nobuyuki Odagiri, Keiichi Shirasu, Yoshiaki Kawagoe, Gota Kikugawa, Yutaka Oya, Naoki Kishimoto, Fumio Ohuchi and Tomonaga Okabe, Amine/Epoxy Stoichiometric Ratio Dependence of Crosslinked Structure and Ductility in Amine-Cured Epoxy Thermosetting Resins, Journal of Applied Polymer Science, Vol. 138 (2021), 50542. doi:10.1002/app.50542
  • Hiroki Yamaguchi and Gota Kikugawa, Molecular dynamics study on flow structure inside a thermal transpiration flow field, Physics of Fluids, Vol. 33 (2021), 012005. doi:10.1063/5.0034146
  • Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Comparison of Molecular Heat Transfer Mechanisms between Water and Ammonia in the Liquid States, International Journal of Thermal Sciences, Vol. 161 (2021), 106762. doi:10.1016/j.ijthermalsci.2020.106762
  • Yutaka Oya, Masahiro Nakazawa, Keiichi Shirasu, Yuki Hino, Inuyama Kyosuke, Gota Kikugawa, Jing Li, Riichi Kuwahara, Naoki Kishimoto, Hiroki Waizumi, Masaaki Nishikawa, Anthony Waas, Nobuyuki Odagiri, Andrew Koyanagi, Marco Salviato, and Tomonaga Okabe, Molecular dynamics simulation of cross-linking processes and material properties for epoxy resins using first-principle calculation combined with global reaction route mapping algorithms, Chemical Physics Letters, Vol. 762 (2021), 138104. doi:10.1016/j.cplett.2020.138104
  • Kei Kuriya, Kotaro Ochiai, Golap Kalita, Masaki Tanemura, Atsuki Komiya, Gota Kikugawa, Taku Ohara, Ichiro Yamashita, Fumio S. Ohuchi, M. Meyyappan, Seiji Samukawa, Katsuyoshi Washio, and Takeru Okada, Output density quantification of electricity generation by flowing deionized water on graphene, Applied Physics Letters, Vol. 117 (2020), 123905. doi:10.1063/5.0018862
  • Yoshiaki Kawagoe, Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Cross-plane and in-plane heat conductions in layer-by-layer membrane: Molecular dynamics study, Langmuir, Vol. 36 (2020), pp. 6482–6493. doi:10.1021/acs.langmuir.0c00845
  • Yoshiaki Kawagoe, Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Cross-plane and in-plane heat conductions in layer-by-layer membrane: Molecular dynamics study, Langmuir, Vol. 36 (2020), pp. 6482–6493. doi:10.1021/acs.langmuir.0c00845
  • Yue Huang, Jingtian Zhang, Edwin S. Jiang, Yutaka Oya, Akinori Saeki, Gota Kikugawa, Tomonaga Okabe, and Fumio S. Ohuchi, Structure−property correlation study for organic photovoltaic polymer materials using data science approach, Journal of Physical Chemistry C, Vol. 124 (2020), pp. 12871-12882. doi:10.1021/acs.jpcc.0c00517
  • Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, and Taku Ohara, Evaluation of thermal conductivity and its structural dependence of a single nanodiamond using molecular dynamics simulation, Diamond and Related Materials, Vol. 102 (2020), 107669. doi:10.1016/j.diamond.2019.107669
  • Xiao Liu, Donatas Surblys, Yoshiaki Kawagoe, Abdul Rafeq Bin Saleman, Hiroki Matsubara, Gota Kikugawa, Taku Ohara, A molecular dynamics study of thermal boundary resistance over solid interfaces with an extremely thin liquid film, International Journal of Heat and Mass Transfer, Vol 147 (2020), 118949. doi:10.1016/j.ijheatmasstransfer.2019.118949
  • Jimin Qian, Nam Phuong Nguyen, Yutaka Oya, Gota Kikugawa, Tomonaga Okabe, Yue Huang, and Fumio S. Ohuchi, Introducing self-organized maps (SOM) as a visualization tool for materials research and education, Results in Materials, Vol. 4 (2019), 100020. doi:10.1016/j.rinma.2019.100020
  • Yoshiaki Kawagoe, Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Construction of polydisperse polymer model and investigation of heat conduction: A molecular dynamics study of linear and branched polyethylenimine, Polymer, Vol. 180 (2019), 121721. doi:10.1016/j.polymer.2019.121721
  • Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, Application of atomic stress to compute heat flux via molecular dynamics for systems with many-body interactions, Physical Review E, Vol. 99 (2019), 051301(R). doi:10.1103/PhysRevE.99.051301
  • Gota Kikugawa, Yuta Nishimura, Koji Shimoyama, Taku Ohara, Tomonaga Okabe, and Fumio Ohuchi, Data Analysis of Multi-Dimensional Thermophysical Properties of Liquid Substances Based on Clustering Approach of Machine Learning, Chemical Physics Letters, Vol. 728 (2019), pp. 109-114. doi:10.1016/j.cplett.2019.04.075
  • Hiroki Matsubara, Gota Kikugawa, and Taku Ohara, All- and one-particle distribution functions at non-equilibrium steady state under thermal gradient, Physical Review E, Vol. 99 (2019), 052110. doi:10.1103/PhysRevE.99.052110
  • Yoshiaki Kawagoe, Donatas Surblys, Gota Kikugawa, and Taku Ohara, Molecular dynamics study on thermal energy transfer in bulk polyacrylic acid, AIP Advances, Vol. 9 (2019), 025302. doi:10.1063/1.5080432
  • Yasutaka Yamaguchi, Hiroki Kusudo, Donatas Surblys, Takeshi Omori, and Gota Kikugawa, Interpretation of Young’s equation for a liquid droplet on a flat and smooth solid surface: Mechanical and thermodynamic routes with a simple Lennard-Jones liquid, Journal of Chemical Physics, Vol. 150 (2019), 044701. doi:10.1063/1.5053881
  • Abdul Rafeq bin Saleman, Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara, A molecular dynamics study on the thermal rectification effect at the solid-liquid interfaces between the face-centered cubic (FCC) of gold (Au) with the surfaces of (100), (110) and (111) crystal planes facing the liquid methane (CH4), Molecular Simulation, Vol. 45 (2019), pp. 68-79. doi:10.1080/08927022.2018.1535177
  • Hiroki Matsubara, Gota Kikugawa, Mamoru Ishikiriyama, Seiji Yamashita, and Taku Ohara, Microscopic Picture of Heat Conduction in Liquid Ethylene Glycol by Molecular Dynamics Simulation: Difference from the monohydric case, International Journal of Heat and Mass Transfer, Vol. 121 (2018), pp. 1033–1038. doi:10.1016/j.ijheatmasstransfer.2018.01.060
  • Hiroki Matsubara, Gota Kikugawa, Mamoru Ishikiriyama, Seiji Yamashita, and Taku Ohara, Equivalence of the EMD- and NEMD-based decomposition of thermal conductivity into microscopic building blocks, Journal of Chemical Physics, Vol. 147 (2017), 114104. doi:10.1063/1.4990593
  • Abdul Rafeq bin Saleman, Hari Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, and Taku Ohara, A molecular dynamics study on the thermal energy transfer and momentum transfer at the solid-liquid interfaces between gold and sheared liquid alkanes, International Journal of Thermal Sciences, Vol. 120 (2017), pp. 273-288. doi:10.1016/j.ijthermalsci.2017.06.014
  • Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Understanding the chain length dependence of thermal conductivity of liquid alcohols at 298 K on the basis of molecular-scale energy transfer, Fluid Phase Equilibria, Vol. 441 (2017), pp. 24-32. doi:10.1016/j.fluid.2016.12.019
  • Yutaka Oya, Gota Kikugawa, and Tomonaga Okabe, Clustering approach for multidisciplinary optimum design of cross-linked polymer, Macromolecular Theory and Simulations, Vol. 27 (2017), 1600072. doi:10.1002/mats.201600072 (selected paper for the cover picture)
  • Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Molecular dynamics study on the role of hydroxyl groups in heat conduction in liquid alcohols, International Journal of Heat and Mass Transfer, Vol. 108, Part A (2017), pp. 749–759. doi:10.1016/j.ijheatmasstransfer.2016.12.045
  • Abdul Rafeq bin Saleman, Chilukoti Hari Krishna, Gota Kikugawa, Masahiko Shibahara, and Taku Ohara, A molecular dynamics study on the thermal transport properties and the structure of the solid-liquid interfaces between Face Centered Cubic (FCC) crystal planes of gold in contact with linear alkane liquids, International Journal of Heat and Mass Transfer, Vol. 105 (2017), pp. 168-179. doi:10.1016/j.ijheatmasstransfer.2016.09.069
  • Shih-Wei Hung, Gota Kikugawa, and Junichiro Shiomi, Mechanism of temperature dependent thermal transport across the interface between self-assembled monolayer and water, Journal of Physical Chemistry C, Vol. 120 (2016), pp. 26678–26685. doi:10.1021/acs.jpcc.6b09516
  • Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Mass Transport and Structure of Liquid n-Alkane Mixtures in the Vicinity of α-Quartz Substrate, RSC Advances, Vol. 6 (2016), 99704-99713. doi:10.1039/C6RA22398B
  • Yingping Fang, Gota Kikugawa, Hiroki Matsubara, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Molecular Thermal Energy Transfer in Binary Mixture of Simple Liquids, Fluid Phase Equilibria, Vol. 429 (2016), pp. 293-300.  doi:10.1016/j.fluid.2016.09.013
  • Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Structure and Mass Transport Characteristics at the Intrinsic Liquid-Vapor Interfaces of Alkanes, Journal of Physical Chemistry B, Vol. 120 (2016), pp 7207–7216. doi: 10.1021/acs.jpcb.6b05332
  • Tomonaga Okabe, Yutaka Oya, Koichi Tanabe, Gota Kikugawa, and Kenichi Yoshioka, Molecular Dynamics Simulation of Closslinked Epoxy Resins: Curing and Mechanical Properties, European Polymer Journal, Vol. 80, (2016), pp. 78-88. doi:10.1016/j.eurpolymj.2016.04.019
  • Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Non-equilibrium molecular dynamics simulation as a method of calculating thermodynamic coefficients, Fluid Phase Equilibria, Vol.421 (2016), pp. 1-8. doi:10.1016/j.fluid.2016.03.019
  • Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Self-diffusion coefficient and structure of binary n-alkane mixtures at the liquid-vapor interfaces, Journal of Physical Chemistry B, Vol. 119 (2015), pp. 13177 -13184. doi:10.1021/acs.jpcb.5b07189
  • Jo Suzuki, Gota Kikugawa, Takeo Nakano, and Taku Ohara, Kinetic model for transport of liquid molecules in the solid-liquid interface region: a molecular dynamics view, JSME Mechanical Engineering Letters, Vol.1 (2015), 15-00353. doi:10.1299/mel.15-00353
  • Gota Kikugawa, Takeo Nakano, and Taku Ohara, Hydrodynamic consideration of the finite size effect on the self-diffusion coefficient in a periodic rectangular parallelepiped system, Journal of Chemical Physics, Vol. 143 (2015), 024507. doi:10.1063/1.4926841
  • Hari Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, and Taku Ohara, Local thermal transport of liquid alkanes in the vicinity of alpha-quartz solid surfaces and thermal resistance over the interfaces: A molecular dynamics study, Physical Review E, Vol. 91 (2015), 052404. doi:10.1103/PhysRevE.91.052404
  • Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, and Taku Ohara, Effects of molecular structure on microscopic heat transport in chain polymer liquids, Journal of Chemical Physics, Vol. 142 (2015), 164509. doi:10.1063/1.4919313
  • Yoichi Naruke, Shuichi Kosaka, Takeo Nakano, Gota Kikugawa, and Taku Ohara, A molecular dynamics study on mass transport characteristics in the vicinity of SiO2-water/IPA interfaces, International Journal of Heat and Mass Transfer, Vol. 84 (2015), pp. 584-591. doi:10.1016/j.ijheatmasstransfer.2015.01.051
  • Gota Kikugawa, Shotaro Ando, Jo Suzuki, Yoichi Naruke, Takeo Nakano, and Taku Ohara, Effect of the computational domain size and shape on the self-diffusion coefficient in a Lennard-Jones liquid, Journal of Chemical Physics, Vol. 142 (2015), 024503. doi:10.1063/1.4905545
  • Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Structure and transport properties of liquid alkanes in the vicinity of α-quartz surfaces, International Journal of Heat and Mass Transfer, Vol. 79 (2014), pp. 846–857. doi:10.1016/j.ijheatmasstransfer.2014.08.089
  • Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto, A molecular dynamics study on heat conduction characteristics inside the alkanethiolate SAM and alkane liquid, International Journal of Heat and Mass Transfer, Vol. 78 (2014), pp. 630–635. doi:10.1016/j.ijheatmasstransfer.2014.07.040
  • Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto, A Molecular Dynamics Study on Heat Transfer Characteristics Over the Interface of Self-Assembled Monolayer and Water Solvent, ASME Journal of Heat Transfer, Vol. 136 (2014), 102401. doi:10.1115/1.4027910
  • Gota Kikugawa, Tapan G. Desai, Pawel Keblinski, and Taku Ohara, Effect of crosslink formation on heat conduction in amorphous polymers, Journal of Applied Physics, Vol. 114 (2013), 034302. doi:10.1063/1.4813505
  • Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, Investigation of Interfacial Properties at α-Quartz/Alkane Interfaces Using Molecular Dynamics Simulations, International Journal of Advanced Research in Engineering and Technology, Vol. 4 (2013), pp. 68-76. weblink to slideshare
  • Takeo Nakano, Gota Kikugawa, and Taku Ohara, Molecular Heat Transfer in Lipid Bilayers with Symmetric and Asymmetric Tail Chains, ASME Journal of Heat Transfer, Vol. 135 (2013), 061301. doi:10.1115/1.4023572
  • Hari Krishna Chilukoti, Gota Kikugawa, and Taku Ohara, A Molecular Dynamics Study on Transport Properties and Structure at the Liquid-Vapor Interfaces of Alkanes, International Journal of Heat and Mass Transfer, Vol.59 (2013), pp.144-154. doi:10.1016/j.ijheatmasstransfer.2012.12.015
  • T. Ohara, S. Matsubara, H. Kadowaki, G. Kikugawa, K. Takeshita and T. Hamada, Thickness Uniformity of Spin Coated Film Influenced by Nonuniform Temperature of Substrates, International Journal of Emerging Multidisciplinary Fluid Sciences, Vol. 2 (2011), pp.215-232. doi:10.1260/1756-8315.2.4.215
  • 小田川雅人, 竹島由里子, 藤代一成, 菊川豪太, 小原拓, GPUを用いた適応的粒子系可視化, 日本機械学会論文集B編, Vol. 77 (2011), pp.1767-1778, (in Japanese). doi:10.1299/kikaib.77.1767
  • H. Berro, N. Fillot, P. Vergne, T. Tokumasu, T. Ohara, and G. Kikugawa, Energy Dissipation in Non-Isothermal Molecular Dynamics Simulations of Confined Liquids under Shear, Journal of Chemical Physics, Vol. 135 (2011), 134708. doi:10.1063/1.3644938
  • Taku Ohara, Tan Chia Yuan, Daichi Torii, Gota Kikugawa, and Naohiro Kosugi, Heat conduction in chain polymer liquids: Molecular dynamics study on the contributions of inter- and intramolecular energy transfer, Journal of Chemical Physics, Vol. 135 (2011), 034507. doi:10.1063/1.3613648
  • Takeo Nakano, Gota Kikugawa, and Taku Ohara, A Molecular Dynamics Study on Heat Conduction Characteristics in DPPC Lipid Bilayer, Journal of Chemical Physics, Vol. 133 (2010), 154705. doi:10.1063/1.3481650
  • タンチアユアン, 鳥居大地, 小杉直央, 菊川豪太, 小原拓, 長鎖ポリマー液体の熱伝導率: 分子間及び分子内エネルギー伝搬の寄与についての分子動力学的研究, 熱物性, Vol. 24 (2010), pp. 134-140, (in Japanese). doi:10.2963/jjtp.24.134
  • 川口 暢, 菊川 豪太, 杵淵 郁也, 八束 真一, 小原 拓, 松本 洋一郎, 非平衡分子動力学法を用いた親水性末端基を有する自己組織化膜と水の界面熱抵抗の解析, 日本機械学会論文集C編, 76巻, 768号 (2010), pp. 1936-1938, (in Japanese). weblink to CINII
  • Rossen Apostolov, Yasushige Yonezawa, Daron M. Standley, Gota Kikugawa, Yu Takano, and Haruki Nakamura, Membrane Attachment Facilitates Ligand Access to the Active Site in Monoamine Oxidase A, Biochemistry, Vol.48 (2009), pp. 5864–5873. doi:10.1021/bi900493n
  • 菊川豪太, 小原拓, 川口暢, 鳥越栄一, 萩原康正, 松本洋一郎, SAM–溶媒界面の界面熱抵抗に関する分子動力学的研究, 日本機械学会論文集B, 第75巻, 第749 (2009), pp.146-154, (in Japanese). weblink to CINII
  • Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Eiichi Torigoe, Yasumasa Hagiwara, Yoichiro Matsumoto, A molecular dynamics study on heat transfer characteristics at the interfaces of alkanethiolate self-assembled monolayer and organic solvent, Journal of Chemical Physics, Vol.130 (2009), 074706. doi:10.1063/1.3077315
  • Gota Kikugawa, Rossen Apostolov, Narutoshi Kamiya, Makoto Taiji, Ryutaro Himeno, Nakamura Haruki, Yonezawa Yasushige, Application of MDGRAPE-3, a Special Purpose Board for Molecular Dynamics Simulations, to Periodic Biomolecular Systems, Journal of Computational Chemistry, Vol.30 (2009), pp. 110-118. doi:10.1002/jcc.21035
  • Takeo Nakano, Taku Ohara, Gota Kikugawa, Study on molecular thermal energy transfer in a lipid bilayer, Journal of Thermal Science and Technology, Vol.3 (2008), pp. 421-429. doi:10.1299/jtst.3.421
  • Gota Kikugawa, Shu Takagi, Yoichiro Matsumoto, Taku Ohara, A molecular dynamics study on local structure of liquid-vapor interface of water and L-J fluid, Journal of Thermal Science and Technology, Vol.3 (2008), pp. 234-240. doi:10.1299/jtst.3.234
  • Gota Kikugawa, Shu Takagi and Yoichiro Matsumoto, A molecular dynamics study on liquid-vapor interface absorbed by impurities, Computers and Fluids, Vol.36 (2007), pp. 69-76. doi:10.1016/j.compfluid.2005.07.007
  • 菊川豪太, 高木周, 松本洋一郎, ミクロスケールにおける気液界面の局所・瞬時的定義について, 日本機械学会論文集B, 第73巻, 第725号 (2007), pp.118-125, (in Japanese). doi:10.1299/kikaib.73.118

Achievement

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