Structural Principles in Liquids and Glasses: Bottom-Up or Top-Down
The conventional approach to elucidate the atomic structure of liquid and glass is to start with local structural units made of several atoms, and to use them as building blocks to form a global structure, the bottom-up approach. We propose to add an alternative top-down approach in which we start w...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2022-06-01
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| Series: | Frontiers in Materials |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fmats.2022.874191/full |
| _version_ | 1818236389541543936 |
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| author | Takeshi Egami Takeshi Egami Takeshi Egami Chae Woo Ryu |
| author_facet | Takeshi Egami Takeshi Egami Takeshi Egami Chae Woo Ryu |
| author_sort | Takeshi Egami |
| collection | DOAJ |
| description | The conventional approach to elucidate the atomic structure of liquid and glass is to start with local structural units made of several atoms, and to use them as building blocks to form a global structure, the bottom-up approach. We propose to add an alternative top-down approach in which we start with a global high-temperature gas state and then apply interatomic potentials to all atoms at once. This causes collective density wave instability in all directions with the same wavelength. These two driving forces, local and global, are in competition and are mutually frustrated. The final structure is determined through the compromise of frustration between these two, which creates the medium-range-order. This even-handed approach on global and local potential energy landscapes explains the distinct natures of short-range order and medium-range order, and strong temperature dependence of various properties of liquid. |
| first_indexed | 2024-12-12T12:09:05Z |
| format | Article |
| id | doaj.art-ce2aec53346c494cbba9b4ce80063322 |
| institution | Directory Open Access Journal |
| issn | 2296-8016 |
| language | English |
| last_indexed | 2024-12-12T12:09:05Z |
| publishDate | 2022-06-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Materials |
| spelling | doaj.art-ce2aec53346c494cbba9b4ce800633222022-12-22T00:24:56ZengFrontiers Media S.A.Frontiers in Materials2296-80162022-06-01910.3389/fmats.2022.874191874191Structural Principles in Liquids and Glasses: Bottom-Up or Top-DownTakeshi Egami0Takeshi Egami1Takeshi Egami2Chae Woo Ryu3Shull-Wollan Center and Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN, United StatesDepartment of Physics and Astronomy, University of Tennessee, Knoxville, TN, United StatesMaterials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, United StatesShull-Wollan Center and Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN, United StatesThe conventional approach to elucidate the atomic structure of liquid and glass is to start with local structural units made of several atoms, and to use them as building blocks to form a global structure, the bottom-up approach. We propose to add an alternative top-down approach in which we start with a global high-temperature gas state and then apply interatomic potentials to all atoms at once. This causes collective density wave instability in all directions with the same wavelength. These two driving forces, local and global, are in competition and are mutually frustrated. The final structure is determined through the compromise of frustration between these two, which creates the medium-range-order. This even-handed approach on global and local potential energy landscapes explains the distinct natures of short-range order and medium-range order, and strong temperature dependence of various properties of liquid.https://www.frontiersin.org/articles/10.3389/fmats.2022.874191/fullliquid and glassatomic structureshort-range ordermedium-range orderpseudopotential |
| spellingShingle | Takeshi Egami Takeshi Egami Takeshi Egami Chae Woo Ryu Structural Principles in Liquids and Glasses: Bottom-Up or Top-Down Frontiers in Materials liquid and glass atomic structure short-range order medium-range order pseudopotential |
| title | Structural Principles in Liquids and Glasses: Bottom-Up or Top-Down |
| title_full | Structural Principles in Liquids and Glasses: Bottom-Up or Top-Down |
| title_fullStr | Structural Principles in Liquids and Glasses: Bottom-Up or Top-Down |
| title_full_unstemmed | Structural Principles in Liquids and Glasses: Bottom-Up or Top-Down |
| title_short | Structural Principles in Liquids and Glasses: Bottom-Up or Top-Down |
| title_sort | structural principles in liquids and glasses bottom up or top down |
| topic | liquid and glass atomic structure short-range order medium-range order pseudopotential |
| url | https://www.frontiersin.org/articles/10.3389/fmats.2022.874191/full |
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