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Sökning: (swepub) pers:(Johansson Börje) conttype:(refereed) pers:(Hu Qing Miao) > (2014)

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1.
  • Li, Wei, et al. (författare)
  • Generalized stacking fault energies of alloys
  • 2014
  • Ingår i: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 26:26, s. 265005-
  • Tidskriftsartikel (refereegranskat)abstract
    • The generalized stacking fault energy (gamma surface) provides fundamental physics for understanding the plastic deformation mechanisms. Using the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation, we calculate the. surface for the disordered Cu-Al, Cu-Zn, Cu-Ga, Cu-Ni, Pd-Ag and Pd-Au alloys. Studying the effect of segregation of the solute to the stacking fault planes shows that only the local chemical composition affects the. surface. The calculated alloying trends are discussed using the electronic band structure of the base and distorted alloys. Based on our. surface results, we demonstrate that the previous revealed 'universal scaling law' between the intrinsic energy barriers (IEBs) is well obeyed in random solid solutions. This greatly simplifies the calculations of the twinning measure parameters or the critical twinning stress. Adopting two twinnability measure parameters derived from the IEBs, we find that in binary Cu alloys, Al, Zn and Ga increase the twinnability, while Ni decreases it. Aluminum and gallium yield similar effects on the twinnability.
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2.
  • Lu, Song, et al. (författare)
  • Magnetic effect on the interfacial energy of the Ni(111)/Cr(110) interface
  • 2014
  • Ingår i: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 26:35, s. 355001-
  • Tidskriftsartikel (refereegranskat)abstract
    • The work of separation and interfacial energy of the Ni(1 1 1)/Cr(1 1 0) interface are calculated via first-principles methods. Both coherent and semicoherent interfaces are considered. We find that magnetism has a significant effect on the interfacial energy, i.e. removing magnetism decreases the interfacial energy of the semicoherent interface by around 50% . Electronic, magnetic and atomic structures at the interface are discussed. An averaging scheme is used to estimate the work of separation and interfacial energy of semicoherent interfaces based on the results of coherent interfaces. The limitations of the scheme are discussed.
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