Journal article icon

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...

Expand abstract
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1016/j.hedp.2009.02.001

Authors


More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Physics
Albers, RC More by this author
Germann, TC More by this author
Holian, BL More by this author
Expand authors...
Journal:
HIGH ENERGY DENSITY PHYSICS
Volume:
5
Issue:
1-2
Pages:
44-50
Publication date:
2009-06-05
DOI:
ISSN:
1574-1818
URN:
uuid:873cff75-d856-4f64-a6c9-c4f983f8bed3
Source identifiers:
151675
Local pid:
pubs:151675
Language:
English
Keywords:

Terms of use


Metrics



If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP