Predicting XAFS scattering path cumulants and XAFS spectra for metals (Cu, Ni, Fe, Ti, Au) using molecular dynamics simulations

Karolewski, M.A.; Cavell, R.G.; Gordon, R.A.; Glover, C.J.; Cheah, M.; Ridgway, M.C.

doi:10.1107/S0909049513010303

Journal of Synchrotron Radiation Journal of
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Figure 4
First and second cumulants (ΔR and σ², respectively) for several XAFS scattering paths predicted by MD simulations for Ti at 300 K. Data for multiple-scattering paths are indicated by arrows.

JOURNAL OF
SYNCHROTRON
RADIATION

ISSN: 1600-5775

Volume 20| Part 4| May 2013| Pages 555-566

doi:10.1107/S0909049513010303

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