Dynamics and Elastic Properties of Glassy Metastable States
By a molecular dynamics (MD) simulation method which ensures the system will be under hydrostatic pressure, dynamic and elastic properties of glassy metatstable states are investigated. In the MD method, the simulation cell fluctuates not only in volume but also in shape under constant hydrostatic p...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-06-01
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| Series: | Solids |
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| Online Access: | https://www.mdpi.com/2673-6497/2/2/16 |
| _version_ | 1797520791738253312 |
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| author | Keiko M. Aoki |
| author_facet | Keiko M. Aoki |
| author_sort | Keiko M. Aoki |
| collection | DOAJ |
| description | By a molecular dynamics (MD) simulation method which ensures the system will be under hydrostatic pressure, dynamic and elastic properties of glassy metatstable states are investigated. In the MD method, the simulation cell fluctuates not only in volume but also in shape under constant hydrostatic pressure and temperature. As observed in experiments for many glass forming materials, metastable states in our simulation show a sharp increase in mean-square-displacement at certain temperatures <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>T</mi><mi>D</mi></msub></semantics></math></inline-formula>. Dynamic heterogeneity is also observed at <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>T</mi><mi>D</mi></msub></semantics></math></inline-formula>. Elastic properties are calculated from stress and strain relations obtained from the spontaneous fluctuation of internal stress tensor and simulation cell parameters. Each investigated state shows distinctive dynamics while maintaining solid-like elastic properties. The elastic properties stay intact even above <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>T</mi><mi>D</mi></msub></semantics></math></inline-formula>. It has been shown that the rigidity and mobility of glassy metastable states are compatible under dynamic heterogeneity. |
| first_indexed | 2024-03-10T08:03:37Z |
| format | Article |
| id | doaj.art-0ceec7583a184b4091038f6b10fa9ab2 |
| institution | Directory Open Access Journal |
| issn | 2673-6497 |
| language | English |
| last_indexed | 2024-03-10T08:03:37Z |
| publishDate | 2021-06-01 |
| publisher | MDPI AG |
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| series | Solids |
| spelling | doaj.art-0ceec7583a184b4091038f6b10fa9ab22023-11-22T11:15:39ZengMDPI AGSolids2673-64972021-06-012224926410.3390/solids2020016Dynamics and Elastic Properties of Glassy Metastable StatesKeiko M. Aoki0Institute of Computational Fluid Dynamics, 1-16-5 Haramachi, Meguro-ku, Tokyo 152-0011, JapanBy a molecular dynamics (MD) simulation method which ensures the system will be under hydrostatic pressure, dynamic and elastic properties of glassy metatstable states are investigated. In the MD method, the simulation cell fluctuates not only in volume but also in shape under constant hydrostatic pressure and temperature. As observed in experiments for many glass forming materials, metastable states in our simulation show a sharp increase in mean-square-displacement at certain temperatures <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>T</mi><mi>D</mi></msub></semantics></math></inline-formula>. Dynamic heterogeneity is also observed at <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>T</mi><mi>D</mi></msub></semantics></math></inline-formula>. Elastic properties are calculated from stress and strain relations obtained from the spontaneous fluctuation of internal stress tensor and simulation cell parameters. Each investigated state shows distinctive dynamics while maintaining solid-like elastic properties. The elastic properties stay intact even above <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>T</mi><mi>D</mi></msub></semantics></math></inline-formula>. It has been shown that the rigidity and mobility of glassy metastable states are compatible under dynamic heterogeneity.https://www.mdpi.com/2673-6497/2/2/16molecular dynamicsglasselasticity |
| spellingShingle | Keiko M. Aoki Dynamics and Elastic Properties of Glassy Metastable States Solids molecular dynamics glass elasticity |
| title | Dynamics and Elastic Properties of Glassy Metastable States |
| title_full | Dynamics and Elastic Properties of Glassy Metastable States |
| title_fullStr | Dynamics and Elastic Properties of Glassy Metastable States |
| title_full_unstemmed | Dynamics and Elastic Properties of Glassy Metastable States |
| title_short | Dynamics and Elastic Properties of Glassy Metastable States |
| title_sort | dynamics and elastic properties of glassy metastable states |
| topic | molecular dynamics glass elasticity |
| url | https://www.mdpi.com/2673-6497/2/2/16 |
| work_keys_str_mv | AT keikomaoki dynamicsandelasticpropertiesofglassymetastablestates |