Journal of Synchrotron Radiation
Journal of
Synchrotron Radiation
IUCr
IT
WDC
search IUCr Journals
home
archive
editors
for authors
for readers
submit
open access
journal menu
home
archive
editors
for authors
for readers
submit
open access
research papers
Share
Share
Issue contents
Article statistics
Download citation
Format
BIBTeX
EndNote
RefMan
Refer
Medline
CIF
SGML
Text
Plain Text
Download PDF of article
J. Synchrotron Rad.
(2013).
20
,
555-566
https://doi.org/10.1107/S0909049513010303
Download PDF of article
Download citation
Format
BIBTeX
EndNote
RefMan
Refer
Medline
CIF
SGML
Text
Plain Text
Article statistics
Issue contents
Share
Predicting XAFS scattering path cumulants and XAFS spectra for metals (Cu, Ni, Fe, Ti, Au) using molecular dynamics simulations
M. A. Karolewski
,
R. G. Cavell
,
R. A. Gordon
,
C. J. Glover
,
M. Cheah
and
M. C. Ridgway
Molecular dynamics simulations that employ different interatomic potentials are found to vary significantly in their predictions of XAFS scattering path cumulants and synthetic XAFS spectra for metallic solids.
Keywords:
XAFS
;
metals
;
molecular dynamics
;
potentials
;
cumulants
.
Read article
Similar articles
Follow J. Synchrotron Rad.
E-alerts
Twitter
Facebook
RSS