Logo RUB
  • Institute
    • ICAMS
      • Mission
      • Structure
      • Members
      • Fellows
    • Departments & Research Groups
      • Atomistic Modelling and Simulation
      • Scale-Bridging Thermodynamic and Kinetic Simulation
      • Micromechanical and Macroscopic Modelling
      • Artificial Intelligence for Integrated Material Science
      • Computational Design of Functional Interfaces
      • Scale-Bridging Simulation of Functional Composites
      • Materials Informatics and Data Science
      • High-Performance Computing in Materials Science
    • Central Services
      • Coordination Office
      • IT
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information
 
ICAMS
ICAMS
MENÜ
  • RUB-STARTSEITE
  • Institute
    • ICAMS
    • Departments & Research Groups
    • Central Services
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information

Just another WordPress site - Ruhr-Universität Bochum

The Bragg-Williams-Gorski (BWG) ordering treatment in the compound energy formalism (CEF)

S. Fries, H. L. Lukas, I. Ansara, B. Sundman

Berichte der Bunsengesellschaft für Physikalische Chemie, 102, 1102-1110, (1998)

Download: BibTEX

The BWG type of approximation describing chemical ordering has been available in thermodynamic calculation-optimisation software. Developments were done for special cases of symmetry, e.g. the γ-γ′ ordering, based on the fcc lattice, in Ni-based superalloys or the β-β′ ordering in the Cu-Zn system, based on the bcc lattice.

The technological importance of materials presenting order-disorder transformations, demands a versatile Gibbs energy modelling, able to describe the changes taking place during ordering as functions of composition and temperature. Recently practical use of Gibbs energy descriptions of ordered phases are becoming a daily procedure.

In this communication we present a general method for deriving the constraints in the compound energy formalism (CEF) for the model parameters describing an order-disorder transformation. The cases discussed include, for example, the oxygen ordering in its interstitial solution in α-Zr (hep).

back
{"type":"article", "name":"s.fries19981", "author":"S. Fries and H. L. Lukas and I. Ansara and B. Sundman", "title":"The BraggWilliamsGorski (BWG) ordering treatment in the compound energy formalism (CEF)", "journal":"Berichte der Bunsengesellschaft für Physikalische Chemie", "volume":"102", "OPTnumber":"", "OPTmonth":"1", "year":"1998", "OPTpages":"1102-1110", "OPTnote":"", "OPTkey":"", "DOI":""}
Logo RUB
  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Ruhr-Universität Bochum
Universitätsstraße 150
44801 Bochum

  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Seitenanfang Kontrast N