Cr-B-Mo Thermodynamic analysis of phase equilibria
MetadataShow full item record
A thermodynamic analysis of the phase equilibria in the Cr–Mo–B ternary system has been carried out by combining first-principles calculations with the CALPHAD approach. The thermodynamic descriptions of three binary systems relevant to this ternary phase diagram were taken from previous studies. The enthalpy of formation of the (Cr,Mo)2B (Al2Cu-type, tI12, space group I4/mcm), (Cr,Mo)3B2 (U3Si2-type, tP10, space group P4/mbm), (Cr,Mo)B (CrB-type, oC8, space group Cmcm), (Cr,Mo)3B4 (Ta3B4-type, oI14, space group Immm), and (Cr,Mo)B2 (AlB2-type, hP3, space group P6/mmm) phases were obtained from first-principles calculations. The ternary thermodynamic parameters evaluated using these theoretical values, as well as the available experimental information on the phase boundaries, enabled us to calculate the phase equilibria in the Cr–Mo–B ternary system over the entire composition and temperature ranges.
This item URIhttp://hdl.handle.net/11115/72
Except where otherwise noted, this item's license is described as Attribution-ShareAlike 3.0 United States
Showing items related by title, author, creator and subject.
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 ...
Durga, A.; Kumar, K.C. (2013-03-28)The constitutional and thermochemical information of the Co–Zr system is modelled using the Calphad method to obtain a reliable thermodynamic description of the system. Appropriate sublattice models are chosen to describe ...
Du, Y.; Liu, Shuhong; Liu, Z.-K.; Shang, S.-L.; Wang, Jiang; Wang, Peisheng; Xu, Honghui; Zhang, L.; Zhang, Weiqing (2013-03-30)The isothermal section of the Cu–Si–Zn ternary system at 600 °C was experimentally determined with fifteen alloys by means of optical microscopy, X-ray diffraction, and the scanning electron microscopy with energy dispersive ...