Browsing NTNU Open by Author "Pokluda, Jaroslav"
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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 ...