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  • Thermodynamic re-assessment of pure chromium using modified segmented regression model
    Calphad (IF 2.652) Pub Date : 2020-03-31
    A. Obaied; B. Bocklund; S. Zomorodpoosh; L. Zhang; R. Otis; Zi-Kui Liu; I. Roslyakova

    Chromium is considered an essential addition element in multiple industrial applications. Therefore, obtaining an accurate and robust description of its properties is important. Recently, several attempts were made to improve the thermodynamic description of pure elements and binary systems in the frame of the third generation CALPHAD databases. Moreover, it became increasingly important to develop

    更新日期:2020-03-31
  • Thermodynamic reassessment of the Mo–Hf and Mo–Zr systems supported by first-principles calculations
    Calphad (IF 2.652) Pub Date : 2020-03-28
    Ruiqi Zhao; Jiong Wang; Huimin Yuan; Biao Hu; Yong Du; Zhunli Tan

    Based on the experimental phase equilibria and thermodynamic data available in the literature and enthalpies of formation computed from first-principles calculations, the thermodynamic reassessment of the Mo–Hf and Mo–Zr systems was carried out by means of the CALPHAD (CALculation of PHAse Diagram) method. The enthalpies of formation for stable and metastable Laves (C15, C36, C14) phases and enthalpy

    更新日期:2020-03-28
  • On the Bi–Ni system. Ab initio calculations and thermodynamic remodeling
    Calphad (IF 2.652) Pub Date : 2020-02-22
    Wojciech Gierlotka; Joey Lee; Vicky Lim; Władysław Gąsior; Adam Dębski

    Phase diagrams are important part of materials science and technology. The Calphad method, which couples experimental information and computer calculations, allows for calculation phase diagrams and information that is necessary for technological processes. However, to obtain a reliable information from calculation the trustable database is necessary. A new thermodynamic database for a binary Bi–Ni

    更新日期:2020-03-20
  • Effect of CaO on the liquid/spinel/matte/gas equilibria in the Si–Fe–O–Cu–S system at controlled P(SO2) 0.3 and 0.6 atm
    Calphad (IF 2.652) Pub Date : 2020-02-24
    Yongqi Sun; Mao Chen; Eduardo Balladares; Claudio Pizarro; Leonel Contreras; Baojun Zhao

    Herein the phase equilibria in the Si–Fe–Ca–O–S–Cu system in equilibrium with matte at controlled P(SO2) of 0.3 and 0.6 atm and fixed matte grade of 72 wt % Cu were experimentally investigated in the spinel primary phase field. The high-temperature equilibrations were realized in spinel substrate and the sample after quenching were characterized using Electron Probe Micro-analysis (EPMA). The effect

    更新日期:2020-03-20
  • Thermal properties of Ag@Ni core-shell nanoparticles
    Calphad (IF 2.652) Pub Date : 2020-02-29
    Vit Vykoukal; Frantisek Zelenka; Jiri Bursik; Tomas Kana; Ales Kroupa; Jiri Pinkas

    We synthesized [email protected] core-shell nanoparticles by the solvothermal hot injection method and characterized them as for their shape and size by dynamic light scattering (DLS), small-angle X-ray scattering (SAXS), and transmission electron microscopy (TEM). We previously demonstrated their core-shell structure by scanning transmission electron microscopy with energy dispersive spectroscopy

    更新日期:2020-03-20
  • Experimental investigation and thermodynamic description of the Cr–Sn–Zn ternary system
    Calphad (IF 2.652) Pub Date : 2020-03-02
    Jingxian Hu; Fucheng Yin; Xinming Wang; Xuemei Ouyang

    The phase equilibria of the Cr–Sn–Zn ternary system have been systematically investigated via thermodynamic modeling and experimental analysis. The isothermal sections of the Cr–Sn–Zn system at 250 and 450 °C were characterized using scanning electron microscopy coupled with energy-dispersive spectroscopy and X-ray diffraction, the results of these two isothermal sections have confirmed the existence

    更新日期:2020-03-20
  • Thermodynamic evaluation and investigation of solidification microstructure in the Fe–Cr–Ni–C system
    Calphad (IF 2.652) Pub Date : 2020-03-16
    Wenliang Liu; Chong Chen; Ying Tang; Qianxin Long; Shizhong Wei; Guoshang Zhang; Feng Mao; Qingwei Jiang; Tianxiang Zhang; Mengmeng Liu

    Based on a critical review on various experimentally measured phase relations and thermodynamic properties, a thermodynamic update of the Fe–Ni–C ternary system was firstly carried out by the CALPHAD (CALculation of PHAse Diagrams) method. The thermodynamic database of the Fe–Cr–Ni–C system was then established by extrapolating the description of the accepted ternary systems. No quaternary parameters

    更新日期:2020-03-20
  • Thermodynamic assessment of the Ga-Sn-Zn system
    Calphad (IF 2.652) Pub Date : 2020-03-16
    Sebastian Kulawik; Wojciech Gierlotka; Adam Dębski; Władysław Gąsior; Andrzej Zajączkowski

    The integral molar mixing enthalpy of liquid ternary Ga-Sn-Zn alloys has been investigated using drop calorimetry method along five intersections as follows: XGa/XZn = 3/1 at 720 K, xGa/xZn = 1/1 at 718 K and 720 K, xGa/xZn = 1/3 at 718 K, xGa/xSn = 3/17 at 718 K and for xGa/xSn = 1/3 at 720 K. Based on obtained thermodynamic results and those available in the literature the thermodynamic optimization

    更新日期:2020-03-20
  • Thermodynamic assessment of the Co-Ta system.
    Calphad (IF 2.652) Pub Date : 2019-01-01
    Peisheng Wang,Jörg Koßmann,Ursula R Kattner,Mauro Palumbo,Thomas Hammerschmidt,Gregory B Olson

    The Co-Ta system has been reviewed and the thermodynamic description was re-assessed in the present work. DFT (density functional theory) calculations considering spin polarization were performed to obtain the energies for all end-member configurations of the C14, C15, C36 and μ phases for the evaluation of the Gibbs energies of these phases. The phase diagram calculated with the present description

    更新日期:2019-11-01
  • Sn-Ag-Cu nanosolders: Melting behavior and phase diagram prediction in the Sn-rich corner of the ternary system.
    Calphad (IF 2.652) Pub Date : 2015-06-18
    Ali Roshanghias,Jan Vrestal,Andriy Yakymovych,Klaus W Richter,Herbert Ipser

    Melting temperatures of Sn-Ag-Cu (SAC) alloys in the Sn-rich corner are of interest for lead-free soldering. At the same time, nanoparticle solders with depressed melting temperatures close to the Sn-Pb eutectic temperature have received increasing attention. Recently, the phase stability of nanoparticles has been the subject of plenty of theoretical and empirical investigations. In the present study

    更新日期:2019-11-01
  • Thermodynamic study of the cerium-cadmium system.
    Calphad (IF 2.652) Pub Date : 2014-12-30
    Barbara Skołyszewska-Kühberger,Thomas L Reichmann,Rajesh Ganesan,Herbert Ipser

    Cadmium vapor pressures were determined over Ce-Cd samples by an isopiestic method. The measurements were carried out in the temperature range from 690 to 1080 K and over a composition range of 48-85 at% Cd. From the vapor pressures thermodynamic activities of Cd were derived for all samples at their respective sample temperatures, and partial molar enthalpies of Cd were obtained from the temperature

    更新日期:2019-11-01
  • Enthalpies of formation of Cd-Pr intermetallic compounds and thermodynamic assessment of the Cd-Pr system.
    Calphad (IF 2.652) Pub Date : 2014-12-30
    Thomas L Reichmann,Klaus W Richter,Simona Delsante,Gabriella Borzone,Herbert Ipser

    In the present study standard enthalpies of formation were measured by reaction and solution calorimetry at stoichiometric compositions of Cd2Pr, Cd3Pr, Cd58Pr13 and Cd6Pr. The corresponding values were determined to be -46.0, -38.8, -35.2 and -24.7 kJ/mol(at), respectively. These data together with thermodynamic data and phase diagram information from literature served as input data for a CALPHAD-type

    更新日期:2019-11-01
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