Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures
To obtain a deeper understanding of the mechanism of plastic deformation and failure in superhard nanocomposites and heterostructures we studied, by means of the ab initio density functional theory, the stress-strain response and the change of the electronic structure during tensile and shear deform...
| Main Authors: | , , |
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| Format: | Article |
| Language: | en_US |
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American Physical Society
2010
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| Online Access: | http://hdl.handle.net/1721.1/51005 |
| _version_ | 1826204763165818880 |
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| author | Veprek, S. Argon, Ali Suphi Zhang, R. F. |
| author2 | Massachusetts Institute of Technology. Department of Mechanical Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Mechanical Engineering Veprek, S. Argon, Ali Suphi Zhang, R. F. |
| author_sort | Veprek, S. |
| collection | MIT |
| description | To obtain a deeper understanding of the mechanism of plastic deformation and failure in superhard nanocomposites and heterostructures we studied, by means of the ab initio density functional theory, the stress-strain response and the change of the electronic structure during tensile and shear deformation of a prototype interfacial systems consisting of 1 monolayer SiN sandwiched between a few nm thick TiN layers. This shows that peak Friedel oscillations of valence charge density weaken the Ti-N interplanar bonds next to that interface, where decohesion in tension and slip in shear occurs. These results provide ways to design new, stronger and harder materials. |
| first_indexed | 2024-09-23T13:01:02Z |
| format | Article |
| id | mit-1721.1/51005 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T13:01:02Z |
| publishDate | 2010 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | mit-1721.1/510052022-09-28T11:28:08Z Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures Veprek, S. Argon, Ali Suphi Zhang, R. F. Massachusetts Institute of Technology. Department of Mechanical Engineering Argon, Ali Suphi Argon, Ali Suphi To obtain a deeper understanding of the mechanism of plastic deformation and failure in superhard nanocomposites and heterostructures we studied, by means of the ab initio density functional theory, the stress-strain response and the change of the electronic structure during tensile and shear deformation of a prototype interfacial systems consisting of 1 monolayer SiN sandwiched between a few nm thick TiN layers. This shows that peak Friedel oscillations of valence charge density weaken the Ti-N interplanar bonds next to that interface, where decohesion in tension and slip in shear occurs. These results provide ways to design new, stronger and harder materials. ONRDURINT Program European Commission German Research Foundation 2010-01-28T16:12:36Z 2010-01-28T16:12:36Z 2009-01 2008-08 Article http://purl.org/eprint/type/JournalArticle 0031-9007 http://hdl.handle.net/1721.1/51005 Zhang, R. F., A. S. Argon, and S. Veprek. “Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures.” Physical Review Letters 102.1 (2009): 015503. (C) 2010 The American Physical Society. en_US http://dx.doi.org/10.1103/PhysRevLett.102.015503 Physical Review Letters Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Physical Society APS |
| spellingShingle | Veprek, S. Argon, Ali Suphi Zhang, R. F. Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures |
| title | Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures |
| title_full | Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures |
| title_fullStr | Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures |
| title_full_unstemmed | Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures |
| title_short | Friedel Oscillations are Limiting the Strength of Superhard Nanocomposites and Heterostructures |
| title_sort | friedel oscillations are limiting the strength of superhard nanocomposites and heterostructures |
| url | http://hdl.handle.net/1721.1/51005 |
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