GISAXS form periodic boxes
I have a molecular model of a block copolymer film, which gives some non-uniform refractive index distribution in the box with periodic boundary conditions in x and y directions. I used Particle Composition, assemblied from smaller boxes, to simulate this big piece of the film and I met several problems. One is the limited number of boxes in the particle composition. My 3D mesh has dimensions 50x50x30, for example, but with this number of boxes (75000) BornAgain 1.4 don't have enough memory, so i reduced the system size to about 10000 boxes (with the loss of resolution, of course). Could you reccomend something in this case, please?The second question is which interference function is more suitable for the simulation of multiple periodic boxes in x-y plane? It seems for me that the most suitable is 2D paracrystal. On the other hand, the scattering should be averaged over different orientations of the system around z-axis. I found implementation of this rotation in 2D lattice, but not in 2D paracrystal. Could you explain (or give a link) please, how to do this rotation correctly with 2D paracrystal?
Is is difficult to implement such kind of structures, like known distribution of refractive indexes on the periodic cubic mesh into BornAgain? I understand that this is maybe much longer story, but many molecular simulations can produce exactly this kind of input data.