Research

Paper

ResearcherID: B-9073-2016
URL: http://www.researcherid.com/rid/B-9073-2016
ORCID: http://orcid.org/0000-0001-8759-3168

[35] Yuji Higuchi
"Fracture processes of crystalline polymers using coarse-grained molecular dynamics simulations"
Polym. J. (Focus Review), in press (2018).

[34] Yuji Higuchi, Keisuke Saito, Takamasa Sakai, Jian Ping Gong, and Momoji Kubo
"Fracture Process of Double-Network Gels by Coarse-Grained Molecular Dynamics Simulation"
Macromolecules, in press (2018).

[33] Nobuki Ozawa, Shigeki Chieda, Yuji Higuchi, Tatsuya Takeguchi, Miho Yamauchi, and Momoji Kubo
"First-principles calculation of activity and selectivity of the partial oxidation of ethylene glycol on Fe(0 0 1), Co(0 0 0 1), and Ni(1 1 1)"
J. Catal. 361, 361-369 (2018).

[32] Yang Wang, Jingxiang Xu, Jing Zhanga, Qian Chena, Yusuke Ootani, Yuji Higuchi, Nobuki Ozawa, Jean-Michel Martin, Koshi Adachi, and Momoji Kubo
"Tribochemical reactions and graphitization of diamond-like carbon against alumina give volcano-type temperature dependence of friction coefficients: A tight-binding quantum chemical molecular dynamics simulation"
Carbon 133, 350-357 (2018).

[31] Yang Wang, Jingxiang Xu, Yusuke Ootani, Shandan Bai, Yuji Higuchi, Nobuki Ozawa, Koshi Adachi, Jean-Michel Martin, and Momoji Kubo
"Tight-binding Quantum Chemical Molecular Dynamics Study on the Friction and Wear Processes of Diamond-like Carbon Coatings: Effect of Tensile Stress"
ACS Appl. Mater. Interfaces 9, 34396–34404 (2017).

[30] Jingxiang Xu, Yuji Higuchi, Nobuki Ozawa, Kazuhisa Sato, Toshiyuki Hashida, and Momoji Kubo
"Parallel Large-Scale Molecular Dynamics Simulation Opens New Perspective to Clarify the Effect of Porous Structure on Sintering Process of Ni/YSZ Multi-Particles"
ACS Appl. Mater. Interfaces 9, 31816–31824 (2017).

[29] Yuji Higuchi and Momoji Kubo
"Deformation and Fracture Processes of a Lamellar Structure in Polyethylene at the Molecular Level by a Coarse-grained Molecular Dynamics Simulation"
Macromolecules 50, 3690-3702 (2017).

[28] Maria Isabel De Barros Bouchet, Jean Michel Martin, Jose Avila, Makoto Kano, Kentaro Yoshida, Takeshi Tsuruda, Shandan Bai, Yuji Higuchi, Nobuki Ozawa, Momoji Kubo, and Maria Asensio
"Diamond-like carbon coating under oleic acid lubrication: Evidence for graphene oxide formation in superlow friction"
Sci. Rep. 7, 46394 (2017).

[27] Hiroaki Ito, Yuji Higuchi, and Naofumi Shimokawa
"Coarse-grained molecular dynamics simulation of charged lipid membranes: Phase separation and morphological dynamics"
Phys. Rev. E 94, 042611 (2016).

[26] Kentaro Kawaguchi, Hiroshi Ito, Takuya Kuwahara, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
"Atomistic Mechanisms of Chemical Mechanical Polishing of Cu Surface in Aqueous H₂O₂: Tight-Binding Quantum Chemical Molecular Dynamics Simulations"
ACS Appl. Mater. Interfaces 8, 11830–11841 (2016).

[25] Yuji Higuchi and Momoji Kubo
"Coarse-grained molecular dynamics simulation of void growth process in the block structure of semicrystalline polymers"
Model. Simul. Mater. Sci. 24, 055006 (2016).

[24] Hiroshi Ito, Takuya Kuwahara, Kentaro Kawaguchi, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
"Tight-Binding Quantum Chemical Molecular Dynamics Simulations for the Elucidation of Chemical Reaction Dynamics in SiC Etching with SF₆/O₂ Plasma"
Phys. Chem. Chem. Phys. 18, 7808-7819 (2016).

[23] Takuya Kuwahara, Hiroshi Ito, Kentaro Kawaguchi, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
"Origin of Chemical Order in a-Si_xC_yH_z: Density-Functional Tight-Binding Molecular Dynamics and Statistical Thermodynamics Calculations"
J. Phys. Chem. C 120, 2615–2627 (2016).

[22] Hiroki Himeno, Hiroaki Ito, Yuji Higuchi, Tsutomu Hamada, Naofumi Shimokawa, and Masahiro Takagi
"Coupling between pore formation and phase separation in charged lipid membranes"
Phys. Rev. E 92, 062713 (2015).

[21] Jingxiang Xu, Shandan Bai, Yuji Higuchi, Nobuki Ozawa, Kazuhisa Sato, Toshiyuki Hashida, and Momoji Kubo
"Multi-Nanoparticle Model Simulations of the Porosity Effect on Sintering Processes in Ni/YSZ and Ni/ScSZ by Molecular Dynamics Method"
J. Mater. Chem. A 3, 21518-21527 (2015).

[20] Yuji Higuchi, Takeshi Ishikawa, Nobuki Ozawa, Laurent Chazeau, Jean-Yves Cavaillé, Momoji Kubo
"Different dynamic behaviors of the dissociation and recombination reactions in a model calculation of polyethylene by first-principles steered molecular dynamics simulation"
Chem. Phys. 459, 96-101 (2015).

[19] Jingxiang Xu, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
"Density Functional Theory Study of Dopant Effect on Sintering in the Anode of Solid Oxide Fuel Cell"
ECS Trans. 68, 3187-3193 (2015).

[18] Tasuku Onodera, Kenji Kawasaki, Takayuki Nakakawaji, Yuji Higuchi, Nobuki Ozawa, Kazue Kurihara, and Momoji Kubo
"Tribo-Catalytic Reaction of Polytetrafluoroethylene Sliding on an Aluminum Surface"
J. Phys. Chem. C 119, 15954–15962 (2015).

[17] Takuya Kuwahara, Hiroshi Ito, Kentaro Kawaguchi, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
"The reason why thin-film silicon grows layer by layer in plasma-enhanced chemical vapor deposition"
Sci. Rep. 5, 09052 (2015).

[16] Hiroshi Ito, Takuya Kuwahara, Kentaro Kawaguchi, Yuji Higuchi, Nobuki Ozawa, Seiji Samukawa, and Momoji Kubo
"Tight-Binding Quantum Chemical Molecular Dynamics Simulations of Mechanisms of SiO₂ Etching Processes for CF₂ and CF₃ Radicals"
J. Phys. Chem. C 118, 21580-21588 (2014).

[15] Shandan Bai, Hiroki Murabayashi, Yoshihiko Kobayashi, Yuji Higuchi, Nobuki Ozawa, Koshi Adachi, Jean-Michel Martin and Momoji Kubo
"Tight-Binding Quantum Chemical Molecular Dynamics Simulations on Low Friction Mechanism of Fluorine-Terminated Diamond-Like Carbon Films"
RSC Adv. 4, 33739-33748 (2014).

[14] Tasuku Onodera, Kenji Kawasaki, Takayuki Nakakawaji, Yuji Higuchi, Nobuki Ozawa, Kazue Kurihara, and Momoji Kubo
"Effect of Tribochemical Reaction on Transfer-Film Formation by Polytetrafluoroethylene"
J. Phys. Chem. C 118, 11820–11826 (2014).

[13] Ryota Sakanoi, Tomomi Shimazaki, Jingxiang Xu, Yuji Higuchi, Nobuki Ozawa, Kazuhisa Sato, Toshiyuki Hashida and Momoji Kubo
"Communication: Different behavior of Young's modulus and fracture strength of CeO₂: Density functional theory calculations"
J. Chem. Phys. 140, 121102 (2014).

[12] Tasuku Onodera, Kenji Kawasaki, Takayuki Nakakawaji, Yuji Higuchi, Nobuki Ozawa, Kazue Kurihara, and Momoji Kubo
"Chemical Reaction Mechanism of Polytetrafluoroethylene on Aluminum Surface under Friction Condition"
J. Phys. Chem. C 118, 5390–5396 (2014).

[11] Jingxiang Xu, Yuji Higuchi, Nobuki Ozawa, Kazuhisa Sato, Toshiyuki Hashida, and Momoji Kubo
"Theoretical Study on the Effect of Three-Dimensional Porous Structure on the Sintering of Nickel Nanoparticles in the Ni/YSZ Anode"
ECS Trans., 57 2459-2464 (2013).

[10] Takuya Kuwahara, Hiroshi Ito, Kentaro Kawaguchi, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
"Different Crystal Growth Mechanisms of Si(001)-(2×1):H during Plasma-Enhanced Chemical Vapor Deposition of SiH₃ and SiH₂ Radicals: Tight-Binding Quantum Chemical Molecular Dynamics Simulations"
J. Phys. Chem. C 117, 15602 - 15614 (2013).

[9] Jingxiang Xu, Ryota Sakanoi, Yuji Higuchi, Nobuki Ozawa, Kazuhisa Sato, Toshiyuki Hashida, and Momoji Kubo
"Molecular Dynamics Simulation of Ni Nanoparticles Sintering Process in Ni/YSZ Multi-Nanoparticle System"
J. Phys. Chem. C 117, 9663–9672 (2013).

[8] Hiroshi Ito, Takuya Kuwahara, Yuji Higuchi, Nobuki Ozawa, Seiji Samukawa, and Momoji Kubo
"Chemical Reaction Dynamics of SiO₂ Etching by CF₂ Radicals: Tight-Binding Quantum Chemical Molecular Dynamics Simulations"
Jpn. J. Appl. Phys. 52, 026502 (2013).

[7] Takuya Kuwahara, Hiroshi Ito, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
"Development of Crystal Growth Simulator Based on Tight-Binding Quantum Chemical Molecular Dynamics Method and Its Application to Silicon Chemical Vapor Deposition Processes"
J. Phys. Chem. C116, 12525-12531 (2012).

[6] Kentaro Hayashi, Seiichiro Sato, Shandan Bai, Yuji Higuchi, Nobuki Ozawa, Tomomi Shimazaki, Koshi Adachi, Jean-Michel Martin, and Momoji Kubo
"Fate of methanol molecule sandwiched between hydrogen-terminated diamond-like carbon films by tribochemical reactions: tight-binding quantum chemical molecular dynamics study" 
Faraday Discuss.156, 137-146 (2012).

[5] Yuji Higuchi, Takafumi Iwaki, and Kenichi Yoshikawa
"Confinement causes opposite effects on the folding transition of a single polymer chain depending on its stiffness" 
Phys. Rev. E 84, 021924 (2011).

[4] Yuji Higuchi, Takahiro Sakaue, and Kenichi Yoshikawa
"Torsional effect on the wrapping transition of a semiflexible polymer around a core as a model of nucleosome"
Phys. Revi. E 82, 031909 (2010).
Virtual Journal of Biological Physics Research -- October 1, 2010,Volume 20, Issue 7

[3] Yuki Suzuki, Yuji Higuchi, Kohji Hizume, Masatoshi Yokokawa, Shige H. Yoshimura, Kenichi Yoshikawa, and Kunio Takeyasu
"Molecular dynamics of DNA and nucleosomes in solution studied by fast-scanning atomic force microscopy" 
Ultramicroscopy 110, 682-688 (2010).

[2] Yuji Higuchi, Takahiro Sakaue, and Kenichi Yoshikawa
"Chain length dependence of folding transition in a semiflexible homo-polymer chain: Appearance of a core-shell structure" 
Chem. Phys. Let. 461, 42-46 (2008).

[1] Chwen-Yang Shew, Yuji Higuchi, and Kenichi Yoshikawa
"Elucidation of conformational hysteresis on a giant DNA" 
J. Chem. Phys. 127, 085103 (2007).

Others

[1] Yuji Higuchi, Chwen-Yang Shew,
"Conformational Hysteresis on A Giant DNA Molecule" 
busseikenkyu 87, 127 (2006).

日本語論文

[4] Shunsuke Kawagishi, Jingxiang Xu, Yusuke Ootani, Takeshi Nishimatsu, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
"Effect of Polarity of a Substrate on ZnO Crystal Growth Process by Molecular Dynamics Simulation"
J. Comput. Chem. Jpn., 15, 244-245 (2016).

[3] 樋口祐次、久保百司
"MPI並列による大規模粗視化分子動力学シミュレーション: 分子スケールにおける高分子材料の機械的特性の解明"
HPCS2016論文集, 9-14, (2016).

[2] Keisuke Saito, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
"Development and application of a double-network gel modeling method for fracture processes using a coarse-grained molecular dynamics simulation"
J. Comput. Chem. Jpn., 14, 94-95 (2015).

[1] Hiroki Murabayashi, Takeshi Tsuruda, Yang Wang, Yoshihiko Kobayashi, Shandan Bai, Yuji Higuchi, Nobuki Ozawa, Koshi Adachi, and Momoji Kubo
"Tribo-Chemical Reaction of Molybdenum Dithiocarbamate on Diamond-Like Carbon Films: Quantum Chemical Molecular Dynamics Simulation"
J. Comput. Chem. Jpn., 13, 177-178 (2014).

日本語書籍

[1]　伊藤寿、桑原卓哉、樋口祐次、尾澤伸樹、久保百司
"表面・界面技術ハンドブック～材料創製・分析・評価の最新技術から先端産業への適用、環境配慮まで～"
第2 編, 第2 章, 第5 節, 第1 項, "エッチング" pp. 344--353
発刊日：2016/04/19
出版社：エヌ・ティー・エス
サイズ：Ｂ５／約７５０頁
ISBN：978-4-86469-075-1

日本語解説・総説

[7]　許競翔、樋口祐次、尾澤伸樹、久保百司
"マルチスケールシミュレーションによる燃料電池設計"
日本機械学会誌　119, 608-611 (2016).

[6]　白珊丹、樋口祐次、尾澤伸樹、久保百司
"ダイヤモンドライクカーボンの水潤滑プロセスにおけるトライボケミカル反応シミュレーション"
NEW DIAMOND誌　第119号 Vol. 31, (No. 4, 10月25日号) (2015).

[5]　樋口祐次、尾澤伸樹、久保百司
"研究室だより 「東北大学　金属材料研究所　計算材料学研究部門 (久保研究室)」"
分子シミュレーション研究会会誌「アンサンブル」　17, (No. 3, 7月号) 185-188 (2015).

[4]　河口健太郎、會澤豪大、樋口祐次、尾澤伸樹、久保百司
"量子分子動力学シミュレーションによる難加工材料の化学機械研磨メカニズムの解明"
トライボロジスト　59 (12), 780-786 (2014).

[3]　樋口祐次、久保百司
"最近の研究から「化学反応による高分子の劣化と半結晶高分子の破壊プロセス」"
分子シミュレーション研究会会誌「アンサンブル」　16, (No. 3, 7月号) 181-187 (2014).

[2]　尾澤伸樹、中村耕輔、樋口祐次、久保百司
"燃料電池材料の高性能化・高耐久化を目指したマルチフィジックスシミュレーション"
表面科学　34, 656-661 (2013).

[1]　樋口祐次
"博士論文紹介「Conformational transition of single semiflexible polymer chain as a coarse-grained model of DNA」"
分子シミュレーション研究会会誌「アンサンブル」　14, (No. 2, 4月号) 106-109 (2012).