### 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 language | English |
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Title of host publication | Thermodynamics of Alloy Formation |

Editors | E. Ma, B. Fultz, R. Shull, J. Morral, P. Nash |

Publisher | Minerals, Metals & Materials Soc (TMS) |

Pages | 229-250 |

Number of pages | 22 |

Publication status | Published - 1997 |

Event | Proceedings of the 1997 TMS Annual Meeting - Orlando, FL, USA Duration: Feb 9 1997 → Feb 13 1997 |

### Other

Other | Proceedings of the 1997 TMS Annual Meeting |
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City | Orlando, FL, USA |

Period | 2/9/97 → 2/13/97 |

### Fingerprint

### ASJC Scopus subject areas

- Geology
- Metals and Alloys

### Cite this

*Thermodynamics of Alloy Formation*(pp. 229-250). Minerals, Metals & Materials Soc (TMS).

**Energetics of alloy formation within statistical thermodynamics and electron theory.** / Singh, R. N.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

*Thermodynamics of Alloy Formation.*Minerals, Metals & Materials Soc (TMS), pp. 229-250, Proceedings of the 1997 TMS Annual Meeting, Orlando, FL, USA, 2/9/97.

}

TY - GEN

T1 - Energetics of alloy formation within statistical thermodynamics and electron theory

AU - Singh, R. N.

PY - 1997

Y1 - 1997

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0031344628&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0031344628&partnerID=8YFLogxK

M3 - Conference contribution

AN - SCOPUS:0031344628

SP - 229

EP - 250

BT - Thermodynamics of Alloy Formation

A2 - Ma, E.

A2 - Fultz, B.

A2 - Shull, R.

A2 - Morral, J.

A2 - Nash, P.

PB - Minerals, Metals & Materials Soc (TMS)

ER -