Pair radial distribution function curves for the Pb-F pairs of several solid solutions. Inset: melting temperatures of different compositions and relative height of the second peaks.
Volume variation during heating of crystalline (curve A), heating rate , and cooling processes of the melt, from , at different rates: (curve B) and (curve C).
Pair radial distribution function and coordination number function for , obtained at , after cooling from the melt at rates of [crystallized systems, (a) and (b)] and [vitrified systems, (c) and (d)]. (a) and (c): solid lines, Pb-Pb pair; dotted lines, Cd-Cd pair. (b) and (d): solid lines, Pb-F pair; dotted lines, Cd-F pair.
Snapshots of the simulation cell, axis, during cooling processes of the system with at (a) and (b) . Solid circles represent Pb atoms; open circles represent Cd atoms. Fluorine atoms were removed for easier visualization.
Comparison of the population distributions predicted from the MD simulations, using the random substitution model of the ISS (black bars) and the crystalline phase obtained from slow CM (white bars).
Overview of the MAS-NMR spectra obtained on alloys. Proposed site assignments are indicated by vertical dotted lines.
MAS-NMR lineshapes and peak deconvolutions into Gauss–Lorentz functions of solid solutions. Blue curves show experimental data, while red curves show the simulations. Also included under the curves are the individual lineshape components for the simulated curves. (a) , (b) , (c) , (d) , (e) , and (f) .
chemical shifts and experimental compositions extracted from MAS-NMR data in solid solutions.
Quantitative site populations predicted from statistical distribution and the experimental values determined by MAS-NMR.
Article metrics loading...
Full text loading...