Browsing NTNU Open by Author "Sestak, Petr"

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    • 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 ...

    • Extraordinary Response of H-Charged and H-Free Coherent Grain Boundaries in Nickel to Multiaxial Loading 

      Sestak, Petr; Cerny, Miroslav; Zhang, Zhiliang; Pokluda, Jaroslav (Peer reviewed; Journal article, 2020)
      The cohesive strength of 3, 5, and 11 grain boundaries (GBs) in clean and hydrogen-segregated fcc nickel was systematically studied as a function of the superimposed transverse biaxial stresses using ab initio methods. The ...

    • Multiaxial stress–strain response and displacive transformations in NiTi alloy from first principles 

      Sestak, Petr; Cerny, Miroslav; He, Jianying; Zhang, Zhiliang; Pokluda, Jaroslav (Journal article; Peer reviewed, 2016)
      Present ab initio study was focussed on a response of NiTi martensite to a superposition of shear and tensile or compressive stresses acting normally to the shear planes. The theoretically predicted base-centered orthorhombic ...

    • Simultaneously toughening and stiffening elastomers with octuple hydrogen bonding 

      Zhuo, Yizhi; Xia, Zhijie; Qi, Yuan; Sumigawa, Takashi; Wu, Jianyang; Sestak, Petr; Lu, Yinan; Håkonsen, Verner; Li, Tong; Wang, Feng; Chen, Wei; Xiao, Senbo; Long, Rong; Kitamura, Takayuki; Li, Liangbin; He, Jianying; Zhang, Zhiliang (Peer reviewed; Journal article, 2021)
      Current synthetic elastomers suffer from the well-known trade-off between toughness and stiffness. By a combination of multi-scale experiments and atomistic simulations, we demonstrate a transparent unfilled elastomer with ...