Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Efficient Phase Diagram Information and Computational Thermodynamics



Ursula R. Kattner


Industries that process and use metals, from microelectronics to aerospace, can use phase equilibria data for complex alloys (three or more components) and diffusion data for controlling the formation and dissolution of precipitate phases within a matrix or at an interface. The number of images or data tables that would be needed for graphical representation of such data is prohibitively large for higher component systems. Databases that store thermodynamic and diffusion data as functions provide a compact, retrievable storage method. They also permit extrapolation of properties from binary and ternary systems to higher order systems based on a physical model. Special task software which allows the non-expert to extract the required information has been developed by NIST for casting of superalloys and solidification of lead-free solders. Examples of user friendly data representation and data utilization in advanced applications will be presented.
Journal of Phase Equilibria and Diffusion


computational thermodynamics, data storage, graphical representation, materials properties, special task software


Kattner, U. (2006), Efficient Phase Diagram Information and Computational Thermodynamics, Journal of Phase Equilibria and Diffusion (Accessed May 21, 2024)


If you have any questions about this publication or are having problems accessing it, please contact

Created April 28, 2006, Updated February 17, 2017