2022 Fiscal Year Final Research Report
How does a glass break? : Atomic level fracture and application of machine learning
| Project/Area Number |
19K03771
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Review Section |
Basic Section 13040:Biophysics, chemical physics and soft matter physics-related
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| Research Institution | Oita University |
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Principal Investigator |
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| Project Period (FY) |
2019-04-01 – 2023-03-31
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| Keywords | ガラス / 液体 / 力学特性 / 粘度 / 分子動力学シミュレーション / 機械学習 / ガラス転移現象 / 応力 |
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| Outline of Final Research Achievements |
The objective of this research is to uncover the microscopic origins of the mechanical properties of glass and establish a relationship between the motion of particles and the flow properties that underlie the glass transition phenomenon. Through classical and first-principles molecular dynamics simulations, we have investigated the applicability of anomaly detection methods for the fracture of glass and elucidated a correlation between electronic properties and mechanical characteristics. Furthermore, we have made significant progress in developing machine learning potentials to facilitate large-scale simulations. Also, our studies have delved into a connection between local structural changes and viscosity. Notably, our experimental analysis has also unveiled the presence of scaling laws in rheology across salt-induced glass transition. These remarkable findings have substantially advanced our understanding of the origin of physical properties in both glass and liquid.
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| Free Research Field |
液体とガラスの物理学
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| Academic Significance and Societal Importance of the Research Achievements |
ガラスや液体のような構造不規則系は，我々の身の回りに多く存在するが，構造の不規則性のために十分な理解が得られていない部分が多い．特に，ガラス物性を構造から事前に予測することはできない．近年の計算機の進歩や機械学習手法の広がりは，新たな展開を生み出しており，不規則構造に関する新規な知見を得ることが期待されている．本研究では，ガラス変形における電子物性と力学物性の関係性を明らかにしており，この結果は構造不規則系の科学の進歩に大きく貢献している．
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