List of publications

2 results found

Search by title or abstract

Search by author

Select year

Filter by type

 
2026 Articolo in rivista restricted access

Impact of behavioral heterogeneity on epidemic outcome and its mapping into effective network topologies

Human behavior plays a critical role in shaping epidemic trajectories. During health crises, people respond in diverse ways in terms of self-protection and adherence to recommended measures, largely reflecting differences in how individuals assess risk. This behavioral variability induces effective heterogeneity into key epidemic parameters, such as infectivity and susceptibility. We introduce a minimal extension of the susceptible-infected-removed (SIR) model, denoted HeSIR, that captures these effects through a simple bimodal scheme, where individuals may have higher- or lower-transmission-related traits. We derive a closed-form expression for the epidemic threshold in terms of the model parameters, and the network's degree distribution and homophily, defined as the tendency of like-risk individuals to preferentially interact. We identify a resurgence regime just beyond the classical threshold, where the number of infected individuals may initially decline before surging into large-scale transmission. Through simulations on homogeneous and heterogeneous network topologies we corroborate the analytical results and highlight how variations in susceptibility and infectivity influence the epidemic dynamics. We further show that, under suitable assumptions, the HeSIR model maps onto a standard SIR process on an appropriately modified contact network, providing a unified interpretation in terms of structural connectivity. Our findings quantify the effect of heterogeneous behavioral responses, especially in the presence of homophily, and caution against underestimating epidemic potential in fragmented populations, which may undermine timely containment efforts. The results also extend to heterogeneity arising from biological or other nonbehavioral sources.

--
2024 Articolo in rivista restricted access

Nucleation of multi-species crystals: methane cleatrate hydrates, a playground for classical force models

Nucleation and growth of methane clathrate hydrates is an exceptional playground to study crystallisation of multi-component, host-guest crystallites when one of the species forming the crystal, the guest, has a higher concentration in the solid than in the liquid phase. This adds problems related to the transport of the low concentration species, here methane. A key aspect in the modelling of clathrates is the water model employed in the simulation. In previous articles, we compared an all-atom force model, TIP4P/Ewald, with a coarse grain one, which is highly appreciated for its computational efficiency. Here, we perform a complementary analysis considering three all-atoms water models: TIP4P/Ewald, TIP4P/ice and TIP5P. A key difference between these models is that the former predicts a much lower freezing temperature. Intuitively, one expects that to lower freezing temperatures of water correspond to lower water/methane-methane gas-clathrate coexistence ones, which determines the degree of supercooling and the degree of supersaturation. Hence, in the simulation conditions, 250 K (500 atm, and fixed methane molar fraction), one expects computational samples made of TIP4P-ice and TIP5P, with a similar freezing temperature (T-f similar to 273 K), to be more supersaturated with respect to the case of TIP4P-Ew (T-f similar to 245 K), and crystallisation to be faster. Surprisingly, we find that while the nucleation rate is consistent with this prediction, growth rate with TIP4P-ice and TIP5P is much slower than with TIP4P-Ew. The latter was attributed to the slower reorientation of water molecules in strong supercooled conditions, resulting in a lower growth rate. This suggests that the freezing temperature is not a suitable parameter to evaluate the adequacy of a water model.[GRAPHICS]

Clathrates crystallisation nucleation growth force models non-equilibrium molecular dynamics