ESPEI: Extensible, self-optimizing phase equilibrium infrastructure for magnesium alloys

Research output: Chapter in Book/Report/Conference proceedingConference contribution

13 Scopus citations

Abstract

In order to store and use thermodynamic knowledge in materials design, we develop a user-friendly, extensible, self-optimizing phase equilibrium software package: ESPEI, which integrates databases (crystallographic, phase equilibrium, thermochemical, and modeled Gibbs energy data, etc) and database development (automation of thermodynamic modeling) with GUI (graphical user interface) designed mainly by Microsoft C# and SQL (structured query language). We establish the data infrastructure for storing input data used for thermodynamic modeling and output data for thermodynamic analyses. The infrastructure of experimental data storage as well as the automation of database development is unique for ESPEI. In this report, the features of ESPEI are demonstrated for the Al-Mg system.

Original languageEnglish (US)
Title of host publicationMagnesium Technology 2010 - Held During TMS 2010 Annual Meeting and Exhibition
Pages617-622
Number of pages6
StatePublished - May 21 2010
EventMagnesium Technology 2010 - TMS 2010 Annual Meeting and Exhibition - Seattle, WA, United States
Duration: Feb 14 2010Feb 18 2010

Publication series

NameMagnesium Technology
ISSN (Print)1545-4150

Other

OtherMagnesium Technology 2010 - TMS 2010 Annual Meeting and Exhibition
CountryUnited States
CitySeattle, WA
Period2/14/102/18/10

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All Science Journal Classification (ASJC) codes

  • Engineering(all)

Cite this

Shang, S., Wang, Y., & Liu, Z. (2010). ESPEI: Extensible, self-optimizing phase equilibrium infrastructure for magnesium alloys. In Magnesium Technology 2010 - Held During TMS 2010 Annual Meeting and Exhibition (pp. 617-622). (Magnesium Technology).