• Atomistic dewetting mechanics of Wenzel and monostable Cassie–Baxter states 

      Xiao, Senbo; Zhang, Zhiliang; He, Jianying (Journal article, 2018)
      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 ...
    • Atomistic insights into the nanofluid transport through an ultra-confined capillary 

      Wang, Xiao; Zhang, Zhiliang; Torsæter, Ole; He, Jianying (Journal article; Peer reviewed, 2018)
      The nanofluids or nanoparticles (NPs) transport in confined channel is of great importance for many biological and industrial processes. In this study, molecular dynamics simulation has been employed to investigate spontaneous ...
    • Extraordinary Deformation Capacity of Smallest Carbohelicene Springs 

      Sestak, Petr; Wu, Jianyang; He, Jianying; Pokluda, Jaroslav; Zhang, Zhiliang (Journal article; Peer reviewed, 2015)
      The extraordinary deformation and loading capacity of nine different [∞]carbohelicene springs under uniaxial tension up to their fracture were computed using the density functional theory. The simulations comprised either ...
    • Molecular dynamics study of di-CF4 based reverse micelles in supercritical CO2 

      Liu, Bing; Tang, Xinpeng; Fang, Wenjing; Li, Xiaoqi; Zhang, Jun; Zhang, Zhiliang; Shen, Yue; Yan, Youguo; Sun, Xiao-Li; He, Jianying (Journal article; Peer reviewed, 2016)
      The reverse micelles (RMs) in supercritical CO2 (scCO2) are promising alternatives for organic solvents, especially for both polar and non-polar components are involved. Fluorinated surfactants, particularly the double-chain ...
    • Size and shape effects on the thermodynamic properties of nanoscale volumes of water 

      Strøm, Bjørn; Simon, Jean-Marc; Schnell, Sondre Kvalvåg; Kjelstrup, Signe; He, Jianying; Bedeaux, Dick (Journal article; Peer reviewed, 2017)
      Small systems are known to deviate from the classical thermodynamic description, among other things due to their large surface area to volume ratio compared to corresponding big systems. As a consequence, extensive ...
    • Stability, deformation and rupture of Janus oligomer enabled self-emulsifying water-in-oil microemulsion droplet 

      Fu, Yuequn; Xiao, Senbo; Liu, Siqi; Wu, Jianyang; Wang, Xiao; Qiao, Lijie; Zhang, Zhiliang; He, Jianying (Peer reviewed; Journal article, 2020)
      Microemulsion exists widely in nature, daily life and industrial manufacturing, including petroleum production, food processing, drug delivery, new materials fabrication, sewage treatment, etc. The mechanical properties ...
    • Structural Instability and Mechanical Properties of MoS2 Toroidal Nanostructures 

      Wu, Jianyang; Nie, Gaosheng; Xu, Jun; He, Jianying; Xu, Qingchi; Zhang, Zhiliang (Journal article; Peer reviewed, 2015)
      Molybdenum disulfide (MoS2) nanostructures have received considerable research attention due to their outstanding physical and chemical properties. Recently, a form of MoS2 ring structure exhibiting unique transport ...