Figure 1
(a) Simulated F(Q) for an 18-atom Lennard-Jones decahedron (shown in inset) using equation (10) with fixed = 0.1 Å. (b) PDFs after Fourier transformation of the simulated F(Q) in (a) following equation (5) and using (Qmin, Qmax) values, in units Å−1: red (0, 30), dark blue (0.5, 30), green (0.5, 20). |