Figure 5 Radial distribution functions, g(r). (a) The radial distribution function from a 10 × 10 × 10 cubic crystal model (a = 3.5 nm), calculated according to equation (6 ) with spherical subunits with a radius of 0.1 nm, with (red curve) and without (blue
curve) thermal fluctuations (σu = 0.1 nm). (b) Repeating the calculation in (a) with a subunit radius of 0.01 nm, with (red curve) and without (blue curve) thermal
fluctuations (σu = 0.03 nm). We added a radius to the subunit lattice points to avoid delta functions
at the peak positions and get results that are closer to reality. (c) The radial distribution function of the same crystal model (assuming the subunits
are points), without thermal fluctuations, computed by equation (14 ) [using S(q) from Fig. 6 (blue curve), computed until a qmax of 100 nm−1], using Simpson's integration or DST. |