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  • Du, Y.; Liu, Shuhong; Sha, C.; Xu, Honghui; Zhang, L. (2013-03-29)
    Based on the critical evaluation of the experimental data available in the literature, the isothermal section of the Fe–Si–Zn system at 873 K was measured using a combination of X-ray analysis and scanning electron microscopy ...
  • Jacques, P.; Nakano, J. (2013-03-29)
    The thermodynamic parameters of the ε (hcp) phase with respect to the γ (fcc) phase in the Fe–Mn system have been re-visited by utilizing the least squares refinement method applied to experimental values of enthalpy and ...
  • Burton, Benjamin; van de Walle, Axel (2014-03-14)
    First principles based phase diagram calculations were performed for the hexagonal closest packed octahedral-interstitial solid solution system aTiOX, or aTi½ 1 XOX ([ ]¼Vacancy; 0rXr1=2), by the cluster expansion (CE) ...
  • Du, Z.; Guo, C.; Li, C. (2013-03-28)
    The Mg–Sm, Gd–Sm and Gd–Mg–Sm systems were thermodynamically optimized using the CALPHAD technique. The solution phases, liquid, bcc, hcp and rhombohedral, were described by the substitutional solution model. The isostructural ...
  • Du, J.L.; Kong, X.C.; Li, C.H.; Li, Z.H.; Wu, Z. (2013-03-29)
    Previous thermodynamic assessments of the Ti–H system are reviewed, and a new evaluation is carried out by taking into account the liquid phase in the system using the associate solution model. The sublattice model is ...
  • Burton, Benjamin P.; van de Walle, Axel (2013-04-03)
    The group IV hexagonal closest packed (hcp) suboxides MOX (M = Ti, Zr or Hf) all exhibit octahedral interstitial ordering of oxygen, O, and vacancies, in solid solutions of the form View the MathML source, 0≤X≤1/2. By far, ...
  • Feng, Y.; Jin, Zhan-Peng; Liu, Huashan; Wang, R. (2013-03-29)
    Phase relations in the Mg–Hg–Ga ternary system have been experimentally and thermodynamically studied. At first, the isothermal sections of the Mg–Hg–Ga system in the Mg-rich region at 673 K and 473 K were investigated by ...
  • Brennan, Sarah; Bermudez, Katrina; Kulkarni, Nagraj S.; Sohn, Yongho (2013-05-07)
    Solid-to-solid diffusion couples were assembled and annealed to examine the diffusion between pure Mg (99.96 pct) and Al (99.999 pct). Diffusion anneals were carried out at 573 K, 623 K and 673 K (300 C, 350 C and 400 C) ...
  • Tiwari, GP; Hirano, Ken-ichi (2013-07-03)
    It has been observed that the metals which exhibit anomalous diffusion behaviour are all allotropic in nature. A hypothesis to rationalise this interrationship between the diffusion behaviour and the phase transformation ...
  • Gao, F.; Friedl, J.; Liu, X.J.; Wang, C.P.; Wang, S.J. (2013-07-08)
    Based on the experimental data including thermodynamic properties and phase equilibria, thermodynamic assessments of the In–Eu and In–Yb binary systems have been carried out by using the CALPHAD (Calculation of Phase ...
  • Chang, Keke; Hallstedt, B. (2013-03-30)
    The Li–O system has been investigated by means of the CALPHAD approach. The phase equilibria and thermodynamic data of this system are critically reviewed and assessed. The liquid phase and two stable lithium oxides, Li2O ...
  • Shewmon, P. G.; Rhines, F. N. (2013-08-09)
    The determination of the self-diffusion coefficient of magnesium has been made possible recently by discovery of a radioactive isotope, Mg-28 having a half-life of 21.3 hr, and subject to manufacture in useful quantity.
  • Combronde, J.; Brebec, G. (2013-08-09)
    The self-diffusion of magnesium along the c-axis and perpendicular to it has been investigated in the temperature range from 500 to 630 C.
  • Pavlinov, L. V.; Gladyshev, A. M.; Bykov, V. N. (2013-08-29)
    It is found that the parameters of self-diffusion and carbon diffusion in calcium are in good agreement with the general regularities for self-diffusion in pure metals and interstitial impurity diffusion in metals with a ...
  • Kulkarni, Kaustubh N.; Luo, Alan A. (2013-05-07)
    Binary interdiffusion data as functions of composition in the Mg-Al system are essential in modeling kinetics of phase transformations in multicomponent Mg and Al alloys. Interdiffusion and phase growth kinetics were studied ...
  • Du, Zhenmin; Guo, Cuiping; Li, Changrong; Liu, M.; Niu, C.J. (2013-03-29)
    With the consideration of the existence of the metastable miscibility gaps, the thermodynamic parameters of the Mg-based solid solution have been assessed for the Mg–Zn and Mg–Nd systems. The new semi-empirical equation ...
  • Du, Y.; Liu, Shuhong; Wang, Man; Wang, Peisheng; Xu, Honghui; Zhang, Weiqing (2013-03-30)
    The isothermal section at 327 °C for the Mg–Si–Zn system has been determined by means of X-ray diffraction (XRD) and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM/EDX). No ternary compound has ...
  • Du, Zhenmin; Geng, T.; Guo, Cuiping; Li, Changrong; Xu, H.B.; Zhao, X. (2013-03-29)
    Based on the experimental isothermal sections at 800, 1000, 1700 and 1800 °C and the liquidus projections from both the literature and the present measurements, the ternary Nb–Si–Mo system is thermodynamically assessed ...
  • Mn-Ni-Si 
    Du, Yong; He, Cuiyen; Hu, Biao; Liu, Shuhong; Peng, Yingbiao; Sha, Chunsheng; Xu, Honghui; Zhao, Dongdong (2013-04-01)
    The Mn–Ni–Si system has been investigated via thermodynamic modeling coupled with key experiments. The isothermal section at 1000 °C of the Mn–Ni–Si system was determined by means of XRD and SEM/EDX. Based on the critically ...
  • Joost, William J.; Ankem, Sreeramamurthy; Kuklja, Maija M. (2014-07-15)
    These data files correspond to our publication listed above. The files included here are: 1) LAMMPS and VASP input files describing the structures specified in the article. 2) LAMMPS and VASP output files describing the ...