Dr. Ursula R. Kattner 

Metallurgy Division 
Materials Science and Engineering Laboratory 
100 Bureau Dr. Stop 8555  
Gaithersburg, MD 20899-8555 
phone: 301-975-6044 
fax: 301-975-4553 
e-mail:  ursula.kattner@nist.gov 
Dr. Kattner giving a seminar on phase equilibria

Current Research Interests

  •     Computational thermodynamics
  •     Alloy phase diagram evaluations
  •      Metal-hydrogen systems
  •     Solder alloy systems
  •     Superalloy systems


    Computational Thermodynamics and Alloy Phase Diagram Evaluations

    The experimental determination of phase diagrams is a time-consuming and costly task.   This becomes even more pronounced as the number of components increases.  The calculation of phase diagrams reduces the effort required to determine equilibrium conditions in a  multicomponent system and can provide numerical information that is frequently needed in other modeling efforts.  Phase equilibria calculations not only give the phases present and their compositions, but also provide numerical values of enthalpy content, temperature and concentration dependence of phase boundaries.

    See more information on   
    Phase Diagrams & Computational Thermodynamics

    Simple Solidification Calculations

    DTA Simulation

    Phase Diagram Logo
    NIST Recommended Practice Guide:   
    DTA and Heat-flux DSC Measurements of Alloy Melting and Freezing
    (Adobe Acrobat PDF Adobe Acrobat Reader Icon, 8.5 MB)

    and our accompanying paper
    On Differential Thermal Analyzer Curves for the Melting and Freezing of Alloys
    (Adobe Acrobat PDF Adobe Acrobat Reader Icon, 300 kB)
    Front cover of NIST-SP 960-15

    Metal-Hydrogen Systems

    The basic requirement for materials used for reversible hydrogen storage is that a reaction in which the hydrogen is released occurs at moderate temperature and pressure and that by lowering the temperature and/or increasing the pressure this reaction can be reversed.  The calculation of phase equilibria provides a tool to evaluate the reaction path as function of temperature and/or pressure for candidate hydrogen storage materials.

    Solder Alloy Systems

    It is imperative for candidate solder to have the appropriate melting temperature and freezing range.  The thermodynamic database can be used to predict these properties and also show the effects of non-equilibrium solidification.

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    Solder Alloy Systems

    Superalloy Systems

    The calculation of phase equilibria provides a method to predict the fraction solid and heat content vs. temperature relationship during the solidification of multicomponent superalloys.  The thermodynamic database can be used with commercial software code for the simulation of casting processes.

    Last modified: 26 March 2008