Deformable hard particles confined in a disordered porous matrix

With suitably designed Monte Carlo simulations, we have investigated the properties of mobile, impenetrable, yet deformable particles that are immersed into a porous matrix, the latter one realized by a frozen configuration of spherical particles. By virtue of a model put forward by Batista and Miller [Phys. Rev. Lett. 105, 088305 (2010)], the fluid particles can change in their surroundings, formed by other fluid particles or the matrix particles, their shape within the class of ellipsoids of revolution; such a change in shape is related to a change in energy, which is fed into suitably defined selection rules in the deformation "moves" of the Monte Carlo simulations. This concept represents a simple yet powerful model of realistic, deformable molecules with complex internal structures (such as dendrimers or polymers). For the evaluation of the properties of the system, we have used the well-known quenched-annealed protocol (with its characteristic double average prescription) and have analyzed the simulation data in terms of static properties (the radial distribution function and aspect ratio distribution of the ellipsoids) and dynamic features (notably the mean squared displacement). Our data provide evidence that the degree of deformability of the fluid particles has a distinct impact on the aforementioned properties of the system.