Simulating EXAFS patterns of shocked crystals
Extended X-ray absorption fine structure (EXAFS) measurements on shocked polycrystalline iron have provided further evidence for the shock induced alpha - epsilon phase transition in iron. However, recent molecular dynamics investigation of this system has suggested the presence of fcc material in t...
| Główni autorzy: | , , , , , , , , |
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| Format: | Conference item |
| Wydane: |
2007
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| _version_ | 1826294720087719936 |
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| author | Higginbotham, A Albers, R Germann, T Holian, B Kadau, K Lomdahl, P Murphy, W Nagler, B Wark, J |
| author_facet | Higginbotham, A Albers, R Germann, T Holian, B Kadau, K Lomdahl, P Murphy, W Nagler, B Wark, J |
| author_sort | Higginbotham, A |
| collection | OXFORD |
| description | Extended X-ray absorption fine structure (EXAFS) measurements on shocked polycrystalline iron have provided further evidence for the shock induced alpha - epsilon phase transition in iron. However, recent molecular dynamics investigation of this system has suggested the presence of fcc material in the shocked region. In this paper we will investigate the difficulties in simulating EXAFS signals from molecular dynamics data. We will aim to show that in the case of the shock induced a - E transition EXAFS is insensitive to the type of close packing of the product phase. |
| first_indexed | 2024-03-07T03:50:02Z |
| format | Conference item |
| id | oxford-uuid:c0e7a150-115a-4e99-a51a-e97422e920f5 |
| institution | University of Oxford |
| last_indexed | 2024-03-07T03:50:02Z |
| publishDate | 2007 |
| record_format | dspace |
| spelling | oxford-uuid:c0e7a150-115a-4e99-a51a-e97422e920f52022-03-27T05:57:46ZSimulating EXAFS patterns of shocked crystalsConference itemhttp://purl.org/coar/resource_type/c_5794uuid:c0e7a150-115a-4e99-a51a-e97422e920f5Symplectic Elements at Oxford2007Higginbotham, AAlbers, RGermann, THolian, BKadau, KLomdahl, PMurphy, WNagler, BWark, JExtended X-ray absorption fine structure (EXAFS) measurements on shocked polycrystalline iron have provided further evidence for the shock induced alpha - epsilon phase transition in iron. However, recent molecular dynamics investigation of this system has suggested the presence of fcc material in the shocked region. In this paper we will investigate the difficulties in simulating EXAFS signals from molecular dynamics data. We will aim to show that in the case of the shock induced a - E transition EXAFS is insensitive to the type of close packing of the product phase. |
| spellingShingle | Higginbotham, A Albers, R Germann, T Holian, B Kadau, K Lomdahl, P Murphy, W Nagler, B Wark, J Simulating EXAFS patterns of shocked crystals |
| title | Simulating EXAFS patterns of shocked crystals |
| title_full | Simulating EXAFS patterns of shocked crystals |
| title_fullStr | Simulating EXAFS patterns of shocked crystals |
| title_full_unstemmed | Simulating EXAFS patterns of shocked crystals |
| title_short | Simulating EXAFS patterns of shocked crystals |
| title_sort | simulating exafs patterns of shocked crystals |
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