Dynamics and Thermodynamic of Inherent Structure of Glass

2019 Fiscal Year Final Research Report

• Project/Area Number: 17K05589
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Mathematical physics/Fundamental condensed matter physics
• Research Institution: Waseda University
• Principal Investigator: Aoki Keiko 早稲田大学, 理工学術院, 客員上級研究員 (90252163)
• Project Period (FY): 2017-04-01 – 2020-03-31
• Keywords: 分子動力学シミュレーション / ガラスの固有構造 / 弾性

Outline of Final Research Achievements

Computer simulations were conducted to clarify to what extent can we reproduce characteristics of glass by the state of molecular aggregation and temperature alone.
It is experimentally known that in many glasses, molecules start to move larger distances above certain temperatures. We have succeeded to simulate several of such states and observed how the molecules diffuse. In addition, we have measured how elastic properties changes through different temperatures. For inherent states, which are final states of glass, a variety of diffusive nature was observed. On the other hand, all the states maintained high elasticity even for temperatures higher than that where the mobility of molecules become large.

Free Research Field

物性物理学

Academic Significance and Societal Importance of the Research Achievements

複雑な現象を単純な要素に分解して, その本質を明らかにしょうする研究手法が, ガラスのコンピュータ・シミュレーションでも有効である事を示すことができた。
コンピュータ・シミュレーションでは, 複雑な要素を取り入れることが簡単であるが故に, 必ずしも本質的で無い要素を盛り込みがちである。また, それが故にシミュレーション方法が物理的に正しいかどうかの検証がなおざりにされがちである。物理的に精度が高く, かつ本質的な要素だけを取り出したコンピュータ・シミュレーションがガラスの最終的に行き着く状態の研究においても役に立つ事が示せたことは意義深い。