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  • 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 ...
  • Burton, Benjamin P.; van de Walle, Axel (2013-04-08)
    First principles phase diagram calculations were performed for the system NaCl–KCl. Plane-wave pseudopotential calculations of formation energies were used as a basis for fitting cluster expansion Hamiltonians, both with ...
  • Burton, Benjamin P.; Nishimatsu, Takeshi (2013-04-08)
    First principles based phase diagram calculations were performed for the system (1−X) NaNbO3–(X) KNbO3. Plane wave pseudopotential calculations of formation energies were used as a basis for fitting a cluster expansion ...
  • Maier, K; Mehrer, H; Lessmann, E; Schüle, W (2013-06-26)
    Self-diffusion in nickel single crystals is measured between 813 and 1193 K using ion-beam sputtering as a microsectioning technique. Gaussian activity-depth profiles are observed over about three orders of magnitude in ...
  • Minić, Duško; Manasijević, Dragan; Ćosovic, Vladan; Todorović, Andreja; Dervišević, Irma; Živković, Dragana; Đokić, Jelena (2013-04-01)
    The phase diagram of the ternary Ni–Pb–Sb system was investigated experimentally by differential scanning calorimetry (DSC) and scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS) methods, and ...
  • Kohler, U; Herzig, C.H (2013-07-03)
    Self-diffusion of the Ti44 is measured in Beta-Titanium under UHV conditions int eh whole range of existence of the bcc phase. The Arrhenius plot shows a strong upward curvature in agreement with previous investigations ...
  • Burton, Benjamin P.; Cockayne, Eric (2013-04-08)
    The polarization of a nearest-neighbor (nn) Pb-O vacancy pair [(VPb-VO)nn] in PbTiO3 is calculated, using the modern theory of polarization, implemented in the density-functional-theory ultrasoft pseudopotential formalism. ...
  • Dogan, O.; Gao, M.; Hu, R.X.; King, P.; Widom, M. (2013-03-29)
    Sulfur poisoning of PdCu membrane alloys has promoted new alloy development that requires quantitative understanding of the thermodynamics of the Pd–Cu–S system. This study attempts to develop a self-consistent thermodynamic ...
  • Shinagawa, Kazuya; Chinen, Hibiki; Omori, Toshihiro; Oikawa, Katsunari; Ohnuma, Ikuo; Ishida, Kiyohito; Kainuma, Ryosuke (2014-09-29)
    Experimental investigation and thermodynamic evaluation of the CoeTa binary phase diagram was carried out. Equilibrium compositions obtained in two-phase alloys and diffusion couples were measured by electron probe ...
  • Chen, T.F.; Gaune-Escard, M.; Gong, W.P.; Jin, ZhanPeng; Wu, Y. (2013-03-29)
    The thermodynamic properties and phase diagram of the RbBr–TbBr3 system were analyzed by means of the CALPHAD method in this work. Thermodynamic models were defined in order to describe the Gibbs energies of the individual ...
  • Herzig, Christian; Willecke, Ralf; Vieregge, Klaus (2013-07-03)
    Bulk Self-Diffusion was measure in alpha-Titanium single crystals between 776 and 1132 K using the radiotracer Ti44 and ion beam sputtering for profile sectioning.