Energetics of alloy formation within statistical thermodynamics and electron theory

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

Abstract

The deviation of the thermo-physical functions from the additive rule of mixing as a function of composition, temperature, and pressure is a key to an understanding of the energetics of alloy formation. The implications of the basic interactions of the metallic system i.e. electron-electron, ion-ion and electron-ion on formation energy are discussed within the first principle approach of the electronic theory. The pairwise interactions calculated from the first principle theory, coupled with pair distribution functions, provide a unique definition of the order energy which occurs as a free parameter in various thermodynamic models. The solution of the grand partition function within quasi-lattice approximation, and the hard sphere results modified for attractive tail interaction, are also considered to discuss the effects of entropic and enthalpic contributions on formation energy. It is observed that the basic principles underlying these distinct theoretical approaches complement each other.

Original languageEnglish
Title of host publicationThermodynamics of Alloy Formation
EditorsE. Ma, B. Fultz, R. Shull, J. Morral, P. Nash
PublisherMinerals, Metals & Materials Soc (TMS)
Pages229-250
Number of pages22
Publication statusPublished - 1997
EventProceedings of the 1997 TMS Annual Meeting - Orlando, FL, USA
Duration: Feb 9 1997Feb 13 1997

Other

OtherProceedings of the 1997 TMS Annual Meeting
CityOrlando, FL, USA
Period2/9/972/13/97

ASJC Scopus subject areas

  • Geology
  • Metals and Alloys

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  • Cite this

    Singh, R. N. (1997). Energetics of alloy formation within statistical thermodynamics and electron theory. In E. Ma, B. Fultz, R. Shull, J. Morral, & P. Nash (Eds.), Thermodynamics of Alloy Formation (pp. 229-250). Minerals, Metals & Materials Soc (TMS).