Thermodynamics and its applications through first-principles calculations and CALPHAD modeling

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1 Scopus citations


Thermodynamics is the key component of materials science and engineering. The manifestation of thermodynamics is typically represented by phase diagrams, traditionally for binary and occasionally ternary systems. Consequently, the applications of thermodynamics have been rather limited in multi-component engineering materials. Computational thermodynamics, developed in the last few decades, has released the power of thermodynamics. In this presentation, fundamental thermodynamics is reviewed, followed by an introduction of computational thermodynamics in terms of first-principles calculations and thermodynamic modeling, and its application to Mg alloys.

Original languageEnglish (US)
StatePublished - Dec 1 2007
Event2007 World Congress - Detroit, MI, United States
Duration: Apr 16 2007Apr 19 2007


Other2007 World Congress
Country/TerritoryUnited States
CityDetroit, MI

All Science Journal Classification (ASJC) codes

  • Automotive Engineering
  • Safety, Risk, Reliability and Quality
  • Pollution
  • Industrial and Manufacturing Engineering


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