382 citations · 639 across the 11 of their papers we have counts for
3 papers · 1 filter
Deformation Dynamics of Nanopores upon Water Imbibition
Juan Sanchez, Lars Dammann, Laura Gallardo +5
Capillarity-driven transport in nanoporous solids is widespread in nature and crucial for modern liquid-infused engineering materials. During imbibition, curved menisci driven by h…
How water wets and self-hydrophilizes nanopatterns of physisorbed hydrocarbons
Diego Diaz, Ole Nickel, Nicolas Moraga +8
Weakly bound, physisorbed hydrocarbons could in principle provide a similar water-repellency as obtained by chemisorption of strongly bound hydrophobic molecules at surfaces. Here…
Molecular simulation of thermosetting polymer hardening: reactive events enabled by controlled topology transfer
Robert H. Meißner, Julian Konrad, Benjamin Boll +2
We present a quantum mechanical / molecular mechanics (QM/MM) to tackle chemical reactions with substantial molecular reorganization. For this, molecular dynamics simulations with…