Self-organization mesoscale model, 236

The spontaneous emergence of avalanches, droplets and rivulets is very difficult to simulate with classical fluid dynamical models, due to the critical nature (self-organized criticality) and threshold character of these nonlinear phenomena. Therefore, the role of statistical fluctuations in thin-film dynamics cannot be underestimated, especially in the mesoscale. Unlike the classical approaches, we need not introduce any external and artificial perturbations. All phenomena occur spontaneously due to thermal noise inherent in the nonlinearly interacting particle dynamics. 

Mesoscale Model of Self-Organization in Catalyst Layer Inks... 

Simulations of physical properties of realistic Pt/support nanoparticle systems can provide interaction parameters that are used by molecular-level simulations of self-organization in CL inks. Coarse-grained MD studies presented in the section Mesoscale Model of Self-Organization in Catalyst Layer Inks provide vital insights on structure formation. Information on agglomerate formation, pore space morphology, ionomer structure and distribution, and wettability of pores serves as input for parameterizations of structure-dependent physical properties, discussed in the section Effective Catalyst Layer Properties From Percolation Theory. CGMD studies can be applied to study the impact of modifications in chemical properties of materials and ink composition on physical properties and stability of CLs. 

---