Theoretical study of crystallization of supercooled liquids and temeprature-modulation non-linear response

• Project/Area Number: 25400429
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Biological physics/Chemical physics/Soft matter physics
• Research Institution: Tokyo Denki University
• Principal Investigator: Odagaki Takashi 東京電機大学, 理工学部, 教授 (90214147)
• Project Period (FY): 2013-04-01 – 2016-03-31
• Project Status: Completed (Fiscal Year 2015)
• Budget Amount: ¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000); Fiscal Year 2015: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000); Fiscal Year 2014: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000); Fiscal Year 2013: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
• Keywords: 非平衡系 / 自由エネルギーランドスケープ / 過冷却液体 / ガラス転移 / 温度変調応答 / 結晶化 / 初到達時間 / 臨界結晶核 / ＴＴＴ図 / 自由エンルギーランドスケープ / レナード・ジョーンズ･ガウス系 / 臨界核 / 誘電緩和 / 結晶化時間 / 密度汎関数理論

Outline of Final Research Achievements

The Free Energy Landscape (FEL) theory applicable to description of dynamic and thermodynamic properties of non-equilibrium systems was scrutinized in its validity and robustness. The temperature-modulated non-linear dielectric response is analyzed on the basis of the FEL and it is shown that (1) the response to a temperature modulation satisfies the super-position rule and (2) the response of the FEL to a temperature modulation manifests itself in a non-linear response. The crystallization of super-cooled liquids was related to the first passage time in the FEL and the nose-shaped TTT diagram was shown to be the consequence of the thermodynamic effect at higher temperatures and the dynamic effect at lower temperatures. Molecular dynamics simulation was exploited for the Lennard-Jones-Gauss system in two dimensions to show that (1) the critical nucleus size diverges at the melting temperature and (2) the solid-like region increases suddenly at the glass transition temperature .

Research Products

• [Int'l Joint Research] Vietnam National University(ベトナム)
• [Int'l Joint Research] Angers University(France)
• [Journal Article] ガラス転移の自由エネルギーランドスケープ理論と構造エントロピー (2016)
  • Author(s): 小田垣 孝
  • Journal Title: 熱測定 Volume: 43 Pages: 80-84
  • NAID: 40020842204
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] New Scenario of Dynamical Heterogeneity in Supercooled Liquid and Glassy States of 2D Monatomic System (2015)
  • Author(s): Vo Hoang, Victor Teboul and Takashi Odagaki
  • Journal Title: J. Phys. Chem. B Volume: 119 Issue: 51 Pages: 15752-15757
  • DOI: 10.1021/acs.jpcb.5b08912
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Temperature-modulation spectroscopy of non-equilibrium systems (2015)
  • Author(s): T. Odagaki, Y. Saruyama, T. Ueno
  • Journal Title: J.Non-Cryst. Solids Volume: 407 Pages: 57-65
  • DOI: 10.1016/j.jnoncrysol.2014.07.047
  • NAID: 40020325015
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Substrate Effects on Glass Formation in Simple Monatomic Supercooled Liquids (2015)
  • Author(s): Vo Hoang, Dao Kim Thoa, Takashi Odagaki, and Le Ngoc Qu
  • Journal Title: Chem. Phys. Volume: 447 Pages: 1-9
  • DOI: 10.1016/j.chemphys.2014.11.017
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Anisotropic percolation analysis of discharge (2014)
  • Author(s): S. Matsumoto and T. Odagaki
  • Journal Title: J. Phys.Soc. Volume: 83 Issue: 3 Pages: 034006-034006
  • DOI: 10.7566/jpsj.83.034006
  • NAID: 40020017716
  • Peer Reviewed / Open Access
• [Journal Article] Solid phase stability of a double-minimum interaction potential system (2014)
  • Author(s): A. Suematsu, A. Yoshimori, M. Saiki, J. Matsu and T. Odagaki
  • Journal Title: J. Chem. Phys. Volume: 140 Issue: 24
  • DOI: 10.1063/1.4884021
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Control of solid-phase stability by interaction potential with two minima (2014)
  • Author(s): A. Suematsu, A. Yoshimori, M. Saiki, J. Matsui, T. Odagaki
  • Journal Title: J. Mole. Liquids Volume: 200 Pages: 12-15
  • DOI: 10.1016/j.molliq.2014.03.015
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] A theoretical framework for calculations of the structural relaxation time on the basis of the free energy landscape theory (2013)
  • Author(s): Toru Ekimoto, Akira Yoshimori, Takashi Odagaki and Takashi Yoshidome
  • Journal Title: Chemical Physics letters Volume: 577 Pages: 58-61
  • DOI: 10.1016/j.cplett.2013.05.051
  • Peer Reviewed
• [Presentation] FEL描像による過冷却液体の性質 (2016)
  • Author(s): 小田垣 孝
  • Organizer: 繊維・高分子に代表されるソフトマターの分子論的ダイナミクスに関する研究会
  • Place of Presentation: 京都工芸繊維大学、京都
  • Year and Date: 2016-03-14
• [Presentation] 非平衡転移としての放電現象 (2016)
  • Author(s): 小田垣 孝,松本 章吾
  • Organizer: 液体構造研究会
  • Place of Presentation: 京都私学会館、京都
  • Year and Date: 2016-03-11
• [Presentation] ガラス転移の自由エネルギーランドスケープ理論と構造エントロピー (2015)
  • Author(s): 小田垣 孝
  • Organizer: 第５１回熱測定討論会
  • Place of Presentation: 東京電機大学、埼玉県
  • Year and Date: 2015-10-08
  • Invited
• [Presentation] Random walk on the free energy landscape-A new approach to non-equilibrium statistical mechanics (2015)
  • Author(s): T. Odagaki
  • Organizer: International Conference Geometry and Physics of Spatial Random Systems
  • Place of Presentation: Bad Herrenalb, Germany
  • Year and Date: 2015-09-07
  • Int'l Joint Research
• [Presentation] Free energy landscape approach to the crystallization of super-cooled liquids (2015)
  • Author(s): T. Odagaki and A. Okada
  • Organizer: 4th International Workshop on Dynamics in Viscous Liquids
  • Place of Presentation: Montpellier, France
  • Year and Date: 2015-05-04
  • Int'l Joint Research
• [Presentation] 非線形抵抗ネットワークにおける放電現象の不連続転移 (2015)
  • Author(s): 松本章吾，小田垣孝
  • Organizer: 日本物理学会第７０回年次大会
  • Place of Presentation: 早稲田大学(東京都新宿区）
  • Year and Date: 2015-03-21 – 2015-03-24
• [Presentation] 過冷却液体の結晶化時間の理論的研究 (2015)
  • Author(s): 岡田晏珠，小田垣孝
  • Organizer: 日本物理学会
  • Place of Presentation: 早稲田大学(東京都新宿区）
  • Year and Date: 2015-03-21 – 2015-03-23
• [Presentation] FEL approach to the crystallization of super-cooled liquids (2015)
  • Author(s): T. Odagaki and A. Okada
  • Organizer: APS March Meeting
  • Place of Presentation: San Antonio Convention Center（サンアントニオ、アメリカ合衆国）
  • Year and Date: 2015-03-03 – 2015-03-07
• [Presentation] 放電現象に見られる不連続転移 (2014)
  • Author(s): 松本章吾，小田垣孝
  • Organizer: 非線形反応と協同現象研究会
  • Place of Presentation: 東京電機大学(東京都足立区)
  • Year and Date: 2014-12-06
  • Invited
• [Presentation] 非線形媒質中における放電現象の不連続転移 (2014)
  • Author(s): 松本章吾，小田垣孝
  • Organizer: PLASMA Conference 2014
  • Place of Presentation: 朱鷺メッセ(新潟県新潟市)
  • Year and Date: 2014-11-18 – 2014-11-21
• [Presentation] 非線形抵抗ネットワークにおける放電現象の平均場解析 (2014)
  • Author(s): 松本章吾，小田垣孝
  • Organizer: 日本物理学会
  • Place of Presentation: 中部大学(愛知県春日井市)
  • Year and Date: 2014-09-07 – 2014-09-10
• [Presentation] 温度変調誘電測定法によるガラス転移温度域における非線形測 (2014)
  • Author(s): 吉内友章，八尾晴彦，猿山靖夫，小田垣孝
  • Organizer: 日本物理学会
  • Place of Presentation: 中部大学(愛知県春日井市)
  • Year and Date: 2014-09-07 – 2014-09-10
• [Presentation] 非平衡系の温度変調応答の理論的研究 (2014)
  • Author(s): 上野貴裕、小田垣孝,猿山靖夫
  • Organizer: 日本物理学会第69回年次大会
  • Place of Presentation: 東海大学, 神奈川県平塚市
• [Presentation] Crystallization of supercooled liquids (2014)
  • Author(s): T. Odagaki and Y. Shikuya
  • Organizer: American Physical Society 2014 March Meeting
  • Place of Presentation: Denver Convention Center, Denver, Colorado, USA
• [Presentation] Non-linear responses of glass formers under oscillating temperature -Free Energy Landscape Approach- (2013)
  • Author(s): T. Odagaki
  • Organizer: 10th Pacific Rim Conference on Ceramic and Glass Technology
  • Place of Presentation: Hotel Del Coronado, San Diego, CA, USA
  • Invited
• [Presentation] Non-linear dielectric responses of glass formers under temperature modulation -Free Energy Landscape Approach- (2013)
  • Author(s): T. Odagaki and Y. Saruyama
  • Organizer: 7th International Discussion Meeting on Relaxations in Complex Systems
  • Place of Presentation: Universitat Politecnica de Catlunya, Barcelona, Spain
  • Invited
• [Presentation] What Can We Know from the Free Energy Landscape? (2013)
  • Author(s): T. Odagaki
  • Organizer: Materials Science & Technology 2013
  • Place of Presentation: Palais des congress de Montreal, Montreal, Canada
  • Invited
• [Presentation] A Theory of Phase Transition for Two-Minimum Potential Systems (2013)
  • Author(s): Akira Yoshimori, Masafumi Saiki, Jun Matsui, Takashi Odagaki
  • Organizer: 3rd International Conference on Molecular Simulation
  • Place of Presentation: Kobe Int'l Conference Center, Kobe
• [Presentation] A study of phase transition using interaction potential with two minima (2013)
  • Author(s): A. Suematsu, A.Yoshimori and T. Odagaki
  • Organizer: 33rd International Conference on Solution Chemistry
  • Place of Presentation: Kyoto Telsa, Kyoto
• [Presentation] Phase stability of a double-minimum potential system (2013)
  • Author(s): A. Suematsu, A.Yoshimori and T. Odagaki
  • Organizer: 7th Mini-Symposium on Liquids
  • Place of Presentation: KyushuUniversity, Fukuoka
  • Invited