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Chemistry

Xiao Cheng Zeng Publications

Molecular dynamics simulation

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Full-Text Articles in Physical Sciences and Mathematics

Distinct Ice Patterns On Solid Surfaces With Various Wettabilities, Jie Liu, Chongqin Zhu, Kai Liu, Ying Jiang, Yanlin Song, Joseph S. Francisco, Xiao Cheng Zeng, Jianjun Wang Sep 2017

Distinct Ice Patterns On Solid Surfaces With Various Wettabilities, Jie Liu, Chongqin Zhu, Kai Liu, Ying Jiang, Yanlin Song, Joseph S. Francisco, Xiao Cheng Zeng, Jianjun Wang

Xiao Cheng Zeng Publications

No relationship has been established between surface wettability and ice growth patterns, although ice often forms on top of solid surfaces. Here, we report experimental observations obtained using a process specially designed to avoid the influence of nucleation and describe the wettability-dependent ice morphology on solid surfaces under atmospheric conditions and the discovery of two growth modes of ice crystals: along-surface and off-surface growth modes. Using atomistic molecular dynamics simulation analysis, we show that these distinct ice growth phenomena are attributable to the presence (or absence) of bilayer ice on solid surfaces with different wettability; that is, the formation of …


Polymorphism And Polyamorphism In Bilayer Water Confined To Slit Nanopore Under High Pressure, Jaeil Bai, Xiao Cheng Zeng Dec 2012

Polymorphism And Polyamorphism In Bilayer Water Confined To Slit Nanopore Under High Pressure, Jaeil Bai, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

A distinctive physical property of bulk water is its rich solid-state phase behavior, which includes 15 crystalline (ice I–ice XIV) and at least 3 glassy forms ofwater, namely, low-density amorphous, highdensity amorphous, and very-high-density amorphous (VHDA). Nanoscale confinement adds a new physical variable that can result in a wealth of new quasi-2D phases of ice and amorphous ice. Previous computer simulations have revealed that when water is confined between two flat hydrophobic plates about 7–9 Å apart, numerous bilayer (BL) ices (or polymorphs) can arise [e.g., BL-hexagonal ice (BL-ice I)]. Indeed, growth of the BL-ice I through vapor deposition on …


Coexistence And Transition Between Cassie And Wenzel State On Pillared Hydrophobic Surface, Takahiro Koishi, Kenji Yasuoka, Shigenori Fujikawa, Toshikazu Ebisuzaki, Xiao Cheng Zeng May 2009

Coexistence And Transition Between Cassie And Wenzel State On Pillared Hydrophobic Surface, Takahiro Koishi, Kenji Yasuoka, Shigenori Fujikawa, Toshikazu Ebisuzaki, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

Water droplets on rugged hydrophobic surfaces typically exhibit one of the following two states: (i) the Wenzel state [Wenzel RN (1936) Ind Eng Chem 28:988–994] in which water droplets are in full contact with the rugged surface (referred as the wetted contact) or (ii) the Cassie state [Cassie, ABD, Baxter S (1944) Trans Faraday Soc 40:546–551] in which water droplets are in contact with peaks of the rugged surface as well as the “air pockets” trapped between surface grooves (the composite contact). Here, we show large-scale molecular dynamics simulation of transition between Wenzel state and Cassie state of water droplets …