Journal article
Predicting EXAFS signals from shock compressed iron by use of molecular dynamics simulations
- Abstract:
-
Simulated EXAFS signals from ab initio models and configurational averaging of molecular dynamics (MD) data are compared for α-Fe, and configurationally averaged MD EXAFS signals are compared with experimental data for iron shock compressed to pressures above the α-ε{lunate} transition pressure. It is shown that molecular dynamics potentials and ab initio models capable of recreating similar vibrational density of states lead to EXAFS signals in good mutual agreement. The effects of the class...
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- Publication status:
- Published
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- Publisher copy:
- 10.1016/j.hedp.2009.02.001
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Authors
Bibliographic Details
- Journal:
- HIGH ENERGY DENSITY PHYSICS
- Volume:
- 5
- Issue:
- 1-2
- Pages:
- 44-50
- Publication date:
- 2009-06-01
- DOI:
- ISSN:
-
1574-1818
- Source identifiers:
-
151675
Item Description
- Language:
- English
- Keywords:
- Pubs id:
-
pubs:151675
- UUID:
-
uuid:873cff75-d856-4f64-a6c9-c4f983f8bed3
- Local pid:
- pubs:151675
- Deposit date:
- 2013-11-17
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- Copyright date:
- 2009
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