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  • Wang, H.; Warnken, N.; Reed, R.C. (2013-03-29)
    Thermodynamic assessment of the ordered B2 phase in the quaternary Ti–V–Cr–Al system is carried out. A set of self-consistent thermodynamic parameters is presented. A two-sublattice model (Al,Cr,Ti,V )0.5: (Al,Cr,Ti,V )0.5 ...
  • Cui, S.L.; Dai, C.; Du, Y.; Wang, Shaoqing; Xu, Honghui; Yin, Ming; Zhang, Feng; Zhang, L. (2013-04-01)
    Using solid/solid diffusion couples and the electron probe microanalysis (EPMA) technique, the interdiffusion coefficients in fcc Cu–Al–Fe alloys at 1273 K were determined by means of Whittle and Green’s method. Based on ...
  • Huang, G.X.; Jin, Z.P.; Liu, Libin; Luo, H.T.; Masset, P.; Tao, X.M.; Zhang, L. (2013-04-01)
    Phase equilibria in the ternary Al–Cu–Y system have been analyzed by coupling the CALPHAD method and first-principles calculations, and a complete thermodynamic description was obtained. The thermodynamic descriptions of ...
  • Sundman, Bo; Ohnuma, Ikuo; Dupin, Nathalie; Kattner, Ursula R; Fries, Suzana G. (2013-03-28)
    The Al–Fe system is important for many alloys and the new interest in iron aluminides makes it necessary to improve the modeling of the different ordered forms on the body-centered cubic lattice in this system. This has ...
  • Guo, Cuiping; Liang, Yu; Li, Changrong; Du, Zhenmin (2013-03-29)
    The Al–Li–Zn system was critically assessed using the CALPHAD technique. The solution phases (liquid, bcc, fcc and hcp) were described by the substitutional solution model. The compounds Al2Li3 and Al4Li9 in the Al–Li ...
  • Campbell, C.E. (2013-02-11)
    This work presents the assessment of the diffusion mobilities in both the γ′ (Ni3Al-L12) and B2 (NiAl) phases in the Ni–Al–Cr system utilizing the phenomenological model developed by Helander and Ågren. Available experimental ...
  • Ren, Xui; Li, Changrong; Du, Zhenmin; Guo, Cuiping (2013-03-30)
    Among the phase diagrams of six binary systems composed of alkali metals, Sodium (Na), Potassium (K), Rubidium (Rb) and Cesium (Cs), three of them, those of the Cs–K, Cs–Rb and K–Rb systems, indicate a complete range of ...
  • Burton, Benjamin P.; van de Walle, Anton; Kattner, Ursula (2013-01-31)
    First principles phase diagram calculations were performed for the wurtzite-structure quasibinary systems AlN–GaN, GaN–InN, and AlN–InN.
  • Kim, D.E.; Liu, Z.-K.; Manga, V.R.; Prins, S.N. (2013-03-29)
    Thermodynamic description of the Al–Pt binary system is modeled by combining first-principles calculations with the CALPHAD method. The four-sublattice and two-sublattice compound energy formalisms are used to model the ...
  • Volin, T. E.; Balluffi, R. W. (2014-01-20)
    The annealing kinetics of voids in 99.9999 wt% pure aluminum were studied over the temperature range 85 to 209 °C in thin specimens by transmission electron microscopy. The isothermal shrinkage of individual voids was ...
  • Morgan, Dane (2013-05-06)
    Migration energy for HCP gold, self-diffusion.
  • Tavazza, Francesca; Levine, Lyle E.; Chaka, Anne M (2013-01-31)
    Under tensile deformation, Au nanowires (NWs) elongate to form single atom chains via a series of intermediate structural transformations. These intermediate structures are investigated using static density functional ...
  • Du, Y.; Liang, D.; Liu, Yajun; Wang, Jiang; Zhang, L. (2013-03-29)
    Based on the CALPHAD technique, the atomic mobilities and diffusivities in fcc Fe–X (X=Ag, Au, Cu, Pd and Pt) alloys have been critically studied. The thermodynamic descriptions and various types of diffusivities are ...
  • Wang, J.; Liu, Y.J.; Liu, H.Y.; Liu, L.B.; Jin, Z.P. (2013-03-29)
    The Au–Ga binary system was assessed thermodynamically using the CALPHAD method through Thermo-calc® software based on the critical review of the available experimental data from the published literature. The solution ...
  • Gan, S.X.; Gao, F.; Liu, X.J.; Wang, C.P.; Wang, S.L. (2013-04-01)
    The phase diagrams and thermodynamic properties in the Bi–Lu and Lu–Sb binary systems have been assessed by using the CALPHAD (Calculation of Phase Diagrams) method on the basis of experimental data including the thermodynamic ...
  • Appen, J.; Djurovic, D.; Drownskowski, R.; Hallstedt, B. (2013-03-29)
    The manganese–carbon system has been assessed by means of the CALPHAD method. There is a previous description of this system [W. Huang, Scand. J. Metall., 19 (1990) 26–32], but since then a number of high quality experimental ...
  • Burton, Benjamin P.; van de Walle, A. (2013-04-03)
    Planewave pseudopotential calculations of supercell total energies were used as bases for first-principles calculations of the CaCO3–MgCO3 and CdCO3–MgCO3 phase diagrams. Calculated phase diagrams are in qualitative to ...
  • Du, Kong; Kim, D.E.; Liu, Z.-K.; Saal, J.; Shang, Shun-Li; Zhou, L.C. (2013-04-01)
    The present work reports on a thermodynamic modeling of the Co–Pt system with ordered fcc phases of L10 and L12 structures by means of the CALPHAD method. The liquid, hcp and fcc phases have been modeled as substitutional ...
  • Yuan, Yuan; Yi, JianHong; Borzone, G.; Watson, A. (2013-04-01)
    The phase diagram of the Co–Sm system has been assessed by applying the Calculation of Phase Diagram (CALPHAD) technique. Thermochemical and phase equilibrium information from the literature have been critically evaluated, ...
  • Saha, Saumitra; Morgan, Dane; Crispin, Katherine L.; Van Orman, James A. (2014-08-03)