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Figure 8
(a) Temperature-dependence of the dimensionless correlation parameter φ for the nearest Y—O (circles) and Y—Y bonds (squares and triangles). Solid and dashed lines are guides for the eye. (b) Calculated MSRD factors for Y—O (solid squares) and Y—Y (open circles) plotted versus the interatomic distance R. The solid line is a sum of MSDs for Y and O, the dashed line is a sum of two MSDs of Y. All results are obtained from the MD simulations at 300 K using the force-field model (Model 1) from Bose et al. (2011BB10).

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 23| Part 2| March 2016| Pages 510-518
doi:10.1107/S1600577516001181
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