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Recent advances in nano-rheology require that new methods and models bedeveloped to describe the equilibrium and non-equilibrium properties ofentangled polymeric materials and their interfaces at a molecular level ofdetail. In this work we present a Slip-Spring (SLSP) model capable ofdescribing the dynamics of entangled polymers at interfaces, including explicitliquid-vapor and liquid-solid interfaces. The highly coarse-grained approachadopted with this model enables simulation of entire nano-rheologicalcharacterization systems within a particle-level base description. Many-bodydissipative particle dynamics (MDPD) non-bonded interactions allow for explicitliquid-vapor interfaces, and compensating potential within the SLSP modelensures unbiased descriptions of the shape of the liquid-vapor interface. Theusefulness of the model has been illustrated by studying the deposition ofpolymer droplets onto a substrate, where it s shown that the wetting dynamicsis strongly dependent on the degree of entanglement of the polymer. Moregenerally, the model proposed here provides a foundation for the development ofdigital twins of experimentally relevant systems, including a new generation ofnano-rheometers based on nano- or micro-droplet deformation.

Entanglements via Slip-Springs with Soft, Coarse-Grained Models for Systems Having Explicit Liquid-Vapor Interfaces