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Reversible cross-linking is a method of enhancing the mechanical properties of polymeric materials. The inspiration for this kind of cross-linking comes from nature, which uses this strategy in a large variety of biological materials to dramatically increase their toughness. Recently, first attempts were made to transfer this principle to technological applications. In this study, Monte Carlo simulations are used to investigate the effect of the number and the topology of reversible cross-links on the mechanical performance of a simple model system. Computational cyclic loading tests are performed, and the work to fracture and the energy dissipation per cycle are determined, which both increase when the density of cross-links is increased. Furthermore, a different topology of the bonds may increase the work to fracture by a factor of more than 2 for the same density. This dependence of the mechanical properties on the topology of the bonds has important implications on the self-healing properties of such systems, because only a fast return of the system to its unloaded state after release of the load ensures that the optimal topology may form.

Bilayer structures in catanionic systems experimentally showed peculiar mechanical behavior. The observed increase in the bending stiffness is supposedly connected to additional hydrogen bonds forming between anionic headgroups. With a simple model, we can explain the extreme sensitivity of the bending stiffness of the membrane on the molar ratio of the charged molecules. This effect is further amplified by the sandwichlike structure of the membrane, where the apolar core separating the headgroups acts via a kind of lever-arm principle. As a consequence of these combined effects, the model membrane changes from a soft behavior with bending rigidities on the order of 10k(B)T to an extremely stiff membrane with a bending stiffness more than 2 orders of magnitude larger where most of this change occurs within a molar ratio interval smaller than 0.1.

We investigate the remodeling process of trabecular bone inside a human vertebral body using a stochastic lattice model, in which the ability of living bone to adapt to mechanical stimuli is incorporated. Our simulations show the emergence of a networklike structure similar to real trabecular bone. With time, the bone volume fraction reaches a steady state. The microstructure, however, coarsens with a typical length in the system following a power law. The simulation results suggest that a coarsening of the trabecular structure should occur as a natural aging phenomenon, not related to disease.