Computer simulations in a 3-dimensional cubic space were carried out to (a) model the formation of grains of the triacylglycerols (TAGs), pure tristearin (SSS) and tripalmitin (PPP), and (b) compute structure functions, S(q), of the resulting grain boundaries. It was found that the generally-accepted process of grain creation leading to the formation of grain boundaries yielded results in accord with experimental data while an alternative procedure which created grain boundaries in an ad hoc way, did not. For the models, it was found that S(q) exhibited a slope of approximately −2 for higher q-values and a slope of approximately −3 for lower values of q. Broad localized peaks were observed at q≈0.32u− 1 , where u indicates the units used to define the simulation space. The localized peaks, indicating the characteristic dimensions of the grain boundaries, predict that this size is d≈11u. Experimental studies were carried out on pure SSS and PPP, using Ultra Small Angle X-Ray Scattering (USAXS), in the region 1 × 10 −4 Å −1 < q < 6 10 −2 Å −1 A section of the scattering profiles observed were interpreted in terms of the surface fractal morphology of grain boundaries surrounding the nano-scale voidsnanovoids -in the material. It was observed that the average volume of the nanovoids were characterized by a radius of gyration R g1 of about 370±20 nm for SSS and 437±28 nm for PPP when the Unified Fit software was used. Not surprisingly, the surface fractal dimension, D s , associated with R g1 was similar for both SSS and PPP, giving D s(sss)~2 .1 and D s(ppp)~2 .2. This is in accord with an interpretation that the nanovoid boundaries are rough 2-dimensional surfaces. A slope of approximately −3.0 was observed for the region of 1 × 10 −4 Å −1