6533b7d4fe1ef96bd126276f
RESEARCH PRODUCT
The role of atomic static displacements in binary-alloy formation
Z. GurskiiJ. Krawczyksubject
Materials scienceBinary alloyAlloyThermodynamicsengineering.materialExpression (computer science)Condensed Matter PhysicsStandard enthalpy of formationElectronic Optical and Magnetic MaterialsCondensed Matter::Materials ScienceengineeringCollective variablesElectrical and Electronic EngineeringEnergy (signal processing)description
Abstract A microscopic approach to considering the influence of local atomic static displacements (LASD) on binary alloy thermodynamic properties has been developed. The explicit expression for the free energy of a disordered alloy is derived within the collective variables method. The LASD are shown to promote formation of a disordered alloy. The theory is illustrated by numerical calculations performed for alloys of the Ca–Ba system. Dependence of the alloy formation heat on temperature and concentration obtained numerically agrees perfectly with the experimental data.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2003-09-01 | Physica B: Condensed Matter |