Predicting EXAFS signals from shock compressed iron by use of molecular dynamics simulations
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...
| Main Authors: | , , , , , , , , |
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| Format: | Journal article |
| Sprog: | English |
| Udgivet: |
2009
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