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  • Chen, X.P.; Pavlu, J.; Rogl, P.; Vrest, J. (2013-03-29)
    The Ta–V system is an interesting system exhibiting the existence of Laves phases among elements of the same group in the periodic system, and with an unusual order of stability of Laves phase structures at 0 K. Whereas ...
  • Wu, Henry H.; Trinkle, Dallas R. (2013-05-28)
    We calculate first-principles interaction energies between substitutional solutes and oxygen interstitials in α-titanium and predict the effect of solutes on oxygen diffusion from those interactions. Interaction between ...
  • Yang, Kesong; Huang, Baibiao; Whangbo, Myung-Hwan; Dai, Ying (2013-04-08)
    To see if ferromagnetism can occur in C-doped anatase TiO2, we performed first-principles calculations for a number of C-doped structures in which C atoms substitute O atoms. Our study shows that each C has spin-polarized ...
  • Rothman, S. J.; Peterson, N. L.; Nowick, L. J.; Robinson, L. C. (2014-02-16)
  • Wu, C.; Su, X.; Liu, D.; Wang, Xinming; Wang, Jianhua; Li, Z.; Peng, H. (2013-04-01)
    Experimental investigation followed by thermodynamic assessment of the V–Zn system was carried out in the present study. A series of V–Zn alloys annealed at various temperatures were examined using scanning electron ...
  • Chang, Keke; Du, Y.; Sun, W.H.; Xu, Honghui; Zhou, L.C. (2013-03-28)
    The V–Zn system was investigated by a combination of CALPHAD modeling with key experiments and first-principles calculations. Based on a critical literature review, one diffusion couple and nine alloys were designed to ...
  • ZrO-X 
    Burton, Benjamin; Axel van de Walle; Harold T. Stokes (2013-04-08)
  • Burton, Benjamin; Chaín, Pablo; Pavon, Esperanza; Alba, Maria, D.; Cota, Agustín (2013-05-09)
    ZrSiO4 and HfSiO4 are of considerable interest because of their low thermal expansions, thermal conductivities, and the optical properties of HfSiO4. In addition, silicate phases of both are studied as model radioactive ...