• CO2 Wetting on Pillar-Nanostructured Substrates 

      Wu, Jianyang; Snustad, Ingrid; Ervik, Åsmund; Brunsvold, Amy; He, Jianying; Zhang, Zhiliang (Peer reviewed; Journal article, 2020)
      CO2 capture by dropwise CO2 condensation on cold solid surfaces is a promising technology. Understanding the role of the nanoscale surface and topographical features of CO2 droplet wetting characteristics is of importance ...
    • Contact Angle and Condensation of a CO2 Droplet on a Solid Surface 

      Wu, Jianyang; Ervik, Åsmund; Snustad, Ingrid; Xiao, Senbo; Brunsvold, Amy; He, Jianying; Zhang, Zhiliang (Journal article; Peer reviewed, 2018)
      Anthropogenic release of carbon dioxide (CO2) is a major contribution to manmade increase in global warming. Carbon capture and storage (CCS) is a necessary technology for lowering CO2 emissions to an acceptable level that ...
    • Deformation and fracture of nano-sized metal-coated polymer particles: A molecular dynamics study 

      Wu, Jianyang; Nagao, Shijo; Zhang, Zhiliang; He, Jianying (Journal article; Peer reviewed, 2015)
      The mechanical behavior of Ni-coated polyethylene (PE) nanoparticles subjected to compression loading is systemically investigated by classical molecular dynamics simulation. Results show that the Ni coatings on PE ...
    • Ductile mechanisms of metals containing pre-existing nanovoids 

      Zhao, Kai; Ringdalen, Inga Gudem; Wu, Jianyang; He, Jianying; Zhang, Zhiliang (Journal article; Peer reviewed, 2016)
      The void growth in monocrystalline Cu and Fe are investigated by molecular dynamics simulations to reveal the ductile mechanisms based on dislocation emission and propagation. The results show that the void growth in Cu ...
    • Effect of chain architecture on the compression behavior of nanoscale polyethylene particles 

      Wu, Jianyang; He, Jianying; Odegard, Gregory; Zhang, Zhiliang (Journal article; Peer reviewed, 2013)
      Polymeric particles with controlled internal molecular architectures play an important role as constituents in many composite materials for a number of emerging applications. In this study, classical molecular dynamics ...
    • Effects of Morphology and Temperature on the Tensile Characteristics of Carbon Nitride Nanothreads 

      Fu, Yuequn; Xu, Ke; Wu, Jianyang; Zhang, Zhiliang; He, Jianying (Journal article; Peer reviewed, 2020)
      Very recently synthesized carbon nitride nanothreads (CNNTs) by compressing crystalline pyridine show outperformance in chemical and physical properties over diamond nanothreads. Here, using first-principle based ReaxFF ...
    • Engineering Nanoparticles for Oil Field Applications 

      Wu, Jianyang; He, Jianying (Journal article, 2014)
    • 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 ...
    • Fracture and negative Poisson’s ratio of novel spanned-fullerenes nanotube networks under tension 

      Wu, Jianyang; He, Jianying; Zhang, Zhiliang (Journal article; Peer reviewed, 2013)
      Carbon-based nanomaterials have attracted significant attention due to their unique physical properties. In this study, various multi-dimensional graphitic architectures are constructed by spanning fullerenes with carbon ...
    • From Molecular Structure to Mechanical Properties: Nanostructured Materials 

      Wu, Jianyang (Doktoravhandlinger ved NTNU, 1503-8181; 2013:186, Doctoral thesis, 2013)
    • Giant Stretchability and Reversibility of Tightly Wound Helical Carbon Nanotubes 

      Wu, Jianyang; He, Jianying; Odegard, Gregory; Nagao, Shijo; Zheng, Quanshui; Zhang, Zhiliang (Journal article; Peer reviewed, 2013)
      There is a surging interest in 3D graphitic nanostructures which possess outstanding properties enabling them to be prime candidates for a new generation of nanodevices and energy-absorbing materials. Here we study the ...
    • Grain-size Controlled Mechanical Properties of Polycrystalline Monolayer MoS2 

      Wu, Jianyang; Cao, Pinqiang; Zhang, Zhisen; Ning, Fulong; Zheng, Songsheng; He, Jianying; Zhang, Zhiliang (Journal article, 2018)
      Pristine monocrystalline molybdenum disulphide (MoS2) possesses high mechanical strength comparable to that of stainless steel. Large-area chemical-vapor-deposited monolayer MoS2 tends to be polycrystalline with intrinsic ...
    • Grain-size Induced Strengthening and Weakening of Dislocation-free Polycrystalline Gas Hydrates 

      Wu, Jianyang; Skallerud, Bjørn Helge; He, Jianying; Zhang, Zhiliang (Journal article; Peer reviewed, 2017)
      Sediment-hosted gas hydrates have profound impacts on global energy sources and climate change. Their mechanical properties play a crucial role in gas recovery and understanding their evolution in nature, however, the ...
    • Mechanical instability of monocrystalline and polycrystalline methane hydrates 

      Wu, Jianyang; Ning, Fulong; Trinh, Thuat; Kjelstrup, Signe; Vlugt, Thijs J.H.; He, Jianying; Skallerud, Bjørn Helge; Zhang, Zhiliang (Journal article; Peer reviewed, 2015)
      Despite observations of massive methane release and geohazards associated with gas hydrate instability in nature, as well as ductile flow accompanying hydrate dissociation in artificial polycrystalline methane hydrates ...
    • Mechanical properties of bi- and poly-crystalline ice 

      Cao, Pinqiang; Wu, Jianyang; Zhang, Zhisen; Fang, Bin; Peng, Li; Li, Tianshu; Vlugt, Thijs J.H.; Ning, Fulong (Journal article; Peer reviewed, 2018)
      A sound knowledge of fundamental mechanical properties of water ice is of crucial importance to address a wide range of applications in earth science, engineering, as well as ice sculpture and winter sports, such as ice ...
    • Morphology-Controlled Tensile Mechanical Characteristics in Graphene Allotropes 

      sui, chao; zhao, yushun; Zhang, Zhisen; He, Jianying; Zhang, Zhiliang; He, Xiaodong; Wang, Chao; Wu, Jianyang (Journal article; Peer reviewed, 2017)
      A number of graphene allotropes constructed by sp3, sp2, and sp hybrid orbitals have recently been proposed to provide the broad potential for practical applications. Here, using molecular dynamics simulation, the structural ...
    • Nanohinge-Induced Plasticity of Helical Carbon Nanotubes 

      Wu, Jianyang; Nagao, Shijo; He, Jianying; Zhang, Zhiliang (Journal article; Peer reviewed, 2013)
      Helical carbon nanotubes with intentionally incorporated non‐hexagonal defects have unexpectedly high toughness and plasticity, in addition to the well‐recognized extreme elasticity. The obtained toughness approaches 5000 ...
    • Nature-inspired Entwined Coiled Carbon Mechanical Metamaterials: Molecular Dynamics Simulations 

      Wu, Jianyang; shi, qiao; Zhang, Zhisen; Wu, Hong-Hui; Wang, Chao; Ning, Fulong; Xiao, Senbo; He, Jianying; Zhang, Zhiliang (Journal article, 2018)
      Entwining-induced robust natural biosystems show superior mechanical performances over the counterpart. However, the role played by topological entwinement on the mechanical properties of artificial nanohelixes remains ...
    • Predicting Mechanical Response of Crosslinked Epoxy using ReaxFF 

      Odegard, Gregory; Jensen, B.D; GOWTHAM, S.; Wu, Jianyang; He, Jianying; Zhang, Zhiliang (Journal article; Peer reviewed, 2014)
      The development of improved epoxy resins can be greatly facilitated using molecular dynamics (MD) techniques. Because molecular-level failure events can play a significant role in epoxy mechanical behavior, the reactive ...
    • Role of Five-fold Twin Boundary on the Enhanced Mechanical Properties of fcc Fe Nanowires 

      Wu, Jianyang; Nagao, Shijo; He, Jianying; Zhang, Zhiliang (Journal article; Peer reviewed, 2011)
      The role of 5-fold twin boundary on the structural and mechanical properties of fcc Fe nanowire under tension is explored by classical molecular dynamics. Twin-stabilized fcc nanowire with various diameters (6~24 nm) are ...