  We report a characterization of the relative stability and structural
behavior of various micellar crystals of an athermal model of AB-diblock
copolymers in solution. We adopt a previously devel- oped coarse-graining
representation of the chains which maps each copolymer on a soft dumbbell.
Thanks to this strong reduction of degrees of freedom, we are able to
investigate large aggregated systems, and for a specific length ratio of the
blocks f = MA/(MA + MB) = 0.6, to locate the order-disorder transition of the
system of micelles. Above the transition, mechanical and thermal properties are
found to depend on the number of particles per lattice site in the simulation
box, and the application of a recent methodology for multiple occupancy
crystals (B.M. Mladek et al., Phys. Rev. Lett. 99, 235702 (2007)) is necessary
to correctly define the equilibrium state. Within this scheme we have performed
free energy calculations at two reduced density {\rho}/{\rho}\ast = 4,5 and for
several cubic structures as FCC,BCC,A15. At both densities, the BCC symmetry is
found to correspond to the minimum of the unconstrained free energy, that is to
the stable symmetry among the few considered, while the A15 structure is almost
degenerate, indicating that the present sys- tem prefers to crystallize in less
packed structures. At {\rho}/{\rho}\ast = 4 close to melting, the Lindemann
ratio is fairly high (~ 0.29) and the concentration of vacancies is roughly 6%.
At {\rho}/{\rho}\ast = 5 the mechanical stability of the stable BCC structure
increases and the concentration of vacancies ac- cordingly decreases. The ratio
of the corona layer thickness to the core radius is found to be in good
agreement with experimental data for poly(styrene-b-isoprene)(22-12) in
isoprene selective solvent which is also reported to crystallize in the BCC
structure.
