Figure 1

Temperature evolution of the correlation function and simulated diffraction diagrams. (a) First peak of the correlation function $G\left(z\right)$ as obtained from the TG model at 300 and 1100 K for a 0.97 filling rate (full lines). The vertical dotted lines indicate the mean inter-C${}_{60}$ distances $\langle L\rangle$, and the empty dots correspond to the fit of $G\left(z\right)$ by a WHS model. (b) Simulated x-ray diffraction diagrams using the parameters from the WHS model (full lines). The inset shows the derivative of the simulated diffraction diagram at 1100 K. Dotted lines correspond to simulation after convolution of $S\left(Q_z\right)$ by a resolution Lorentzian function with a FWHM of $1\times {10}^{-2}$ Å${}^{-1}$.Reuse & Permissions

Figure 2

X-ray diffraction diagrams of peapods at 320 and 1073 K. Bundle peaks are indexed with $\left(hk\right)$. The rising step of the asymmetric peak characteristic of the 1D chains of C${}_{60}$ is highlighted in gray. The inset shows the evolution of the derivative of the diffraction diagram within the shaded area (symbols) and its fit (lines) by a Gumbel function ($\frac{A}{B}{e}^{-b(z-C)/B}{e}^{-e^{-b(z-C)/B}}$ with $b=2.4464$) and a linear background (dashed lines). Its maximum position is $Q_1$ and its maximum value gives the slope $I_s^{\prime }\left(Q_1\right)$.Reuse & Permissions

Figure 3

(a) Temperature evolution of the inflection point position $Q_1$ measured following ramp 1 (empty stars, ID11 measurements; full gray stars, DIFFABS measurements) from 300 to 1073 K, as well as during ramps 2 and 3 (ID11 measurements). The inset shows the temperature cycle used for the measurements on ID11 as well as the correspondence of plotting symbols with the different ramps. (b) Thermal expansion coefficient $\alpha \left(T\right)$ for ramps 1 (stars) and 2 and 3 (triangles), compared to that of reference bulk C${}_{60}$ (full circles) and to the ones calculated for filling rates of 0.5, 0.9, and 0.97 (lines). (c) Temperature evolution of the $\beta$ parameter, compared to the one calculated for filling rates of 0.5, 0.9, and 0.97 (lines).Reuse & Permissions