Atomistic dewetting mechanics of Wenzel and monostable Cassie–Baxter states
Literature Information
Senbo Xiao, Zhiliang Zhang, Jianying He
Water adhesion underlies wettabilities, and thus hydrophobicities, and defines surface properties like self-cleaning, icephobicity and many others. The nanomechanics of water adhesion, especially in the dynamic dewetting processes, has not been fully investigated. Here in this article, atomistic modeling and molecular dynamics simulations were utilized to probe the adhesion mechanics of water droplets on nanopillars and flat surfaces, covering dewetting in the Wenzel and the newly discovered monostable Cassie–Baxter states. The simulations were able to identify intermediate dewetting states on rough surfaces, and resolve the transition between wetting states under force. The results revealed characteristic features of dynamic water adhering stress underpinning dewetting on the nanoscale, which provided deeper knowledge on surface dewetting mechanics. This work complements nanoscale dewetting experiments for new fundamental insights in studies including nanoroughness design, enhanced oil recovery, anti-icing and others.
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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