Conferences
  1. Home
  2. Publications
  3. Mathematical Models and Computing Experiment in Material Science
  4. № 09 2007
  5. P. 91

Theoretical study of aluminium elastic properties

† A.Lisenko,
 
V.Bekenev
 

I. M. Frantsevich Institute for Problems of Materials Science of the NAS of Ukraine, Omeliana Pritsaka str.,3, Kyiv, 03142, Ukraine
Mathematical Models and Computing Experiment in Material Science - Kiev: Frantsevich Institute for Problems of Materials Science NASU, 2007, #09
http://www.materials.kiev.ua/article/27

Abstract

Calculations of the total energy are performed and equation of state for aluminium is derived by method of associated plane waves within the density functional theory. Calculated values of equilibrium lattice and bulk modulus parameters are in good agreement with experimental data and data of other calculations. Theoretical dependencies of aluminum elastic constants from volume are derived.


Publications