Surface discrete breathers in Pt3Al intermetallic alloy
It is known that defect-free crystals can support spatially localized, large amplitude vibrational modes with frequencies outside the linear phonon spectrum. Such excitations are called discrete breathers (DB) or intrinsic localized modes. So far, for 3D crystals DB were considered only in the bulk....
| Main Authors: | , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
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2020
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| Online Access: | https://hdl.handle.net/10356/138066 |
| _version_ | 1811695868597764096 |
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| author | Zakharov, P. V. Korznikova, E. Dmitriev, S. Ekomasov, E. Zhou, Kun |
| author2 | School of Mechanical and Aerospace Engineering |
| author_facet | School of Mechanical and Aerospace Engineering Zakharov, P. V. Korznikova, E. Dmitriev, S. Ekomasov, E. Zhou, Kun |
| author_sort | Zakharov, P. V. |
| collection | NTU |
| description | It is known that defect-free crystals can support spatially localized, large amplitude vibrational modes with frequencies outside the linear phonon spectrum. Such excitations are called discrete breathers (DB) or intrinsic localized modes. So far, for 3D crystals DB were considered only in the bulk. In the present molecular dynamics study, for the first time, we demonstrate that DB can be excited at the low Miller indices surfaces of the Pt3Al intermetallic alloy. It is shown that properties of the DB depend essentially on the surface orientation and termination, as well as on DB polarization. The study of DB at crystal surfaces is important because they can localize energy of order of 1 eV, which can reduce the potential barrier for local structure transformation or a chemical reaction. |
| first_indexed | 2024-10-01T07:30:19Z |
| format | Journal Article |
| id | ntu-10356/138066 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T07:30:19Z |
| publishDate | 2020 |
| record_format | dspace |
| spelling | ntu-10356/1380662020-04-23T03:50:49Z Surface discrete breathers in Pt3Al intermetallic alloy Zakharov, P. V. Korznikova, E. Dmitriev, S. Ekomasov, E. Zhou, Kun School of Mechanical and Aerospace Engineering Engineering::Mechanical engineering Discrete Breathers Pt3Al It is known that defect-free crystals can support spatially localized, large amplitude vibrational modes with frequencies outside the linear phonon spectrum. Such excitations are called discrete breathers (DB) or intrinsic localized modes. So far, for 3D crystals DB were considered only in the bulk. In the present molecular dynamics study, for the first time, we demonstrate that DB can be excited at the low Miller indices surfaces of the Pt3Al intermetallic alloy. It is shown that properties of the DB depend essentially on the surface orientation and termination, as well as on DB polarization. The study of DB at crystal surfaces is important because they can localize energy of order of 1 eV, which can reduce the potential barrier for local structure transformation or a chemical reaction. 2020-04-23T03:50:49Z 2020-04-23T03:50:49Z 2019 Journal Article Zakharov, P. V., Korznikova, E., Dmitriev, S., Ekomasov, E., & Zhou, K. Surface discrete breathers in Pt3Al intermetallic alloy. Surface Science, 679, 1-5. doi:10.1016/j.susc.2018.08.011 0039-6028 https://hdl.handle.net/10356/138066 10.1016/j.susc.2018.08.011 2-s2.0-85052655937 679 1 5 en Surface Science © 2018 Elsevier B.V. All rights reserved. |
| spellingShingle | Engineering::Mechanical engineering Discrete Breathers Pt3Al Zakharov, P. V. Korznikova, E. Dmitriev, S. Ekomasov, E. Zhou, Kun Surface discrete breathers in Pt3Al intermetallic alloy |
| title | Surface discrete breathers in Pt3Al intermetallic alloy |
| title_full | Surface discrete breathers in Pt3Al intermetallic alloy |
| title_fullStr | Surface discrete breathers in Pt3Al intermetallic alloy |
| title_full_unstemmed | Surface discrete breathers in Pt3Al intermetallic alloy |
| title_short | Surface discrete breathers in Pt3Al intermetallic alloy |
| title_sort | surface discrete breathers in pt3al intermetallic alloy |
| topic | Engineering::Mechanical engineering Discrete Breathers Pt3Al |
| url | https://hdl.handle.net/10356/138066 |
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