Cohesion energy, properties, and formation energy of transition metal alloys

M. A.Turchanin,
 
P.G.Agraval
 

Powder Metallurgy - Kiev: Frantsevich Institute for Problems of Materials Science NASU, 2008, #01/02
http://www.materials.kiev.ua/article/684

Abstract

The cohesion energy of transition metals and its contributions related with s- and d- electrons were calculated. Correlation of interatomic bonding strength characteristics, molar volume and compressibility of transition metals with cohesion energy and corresponding contributions to it was shown. It was shown that s-electrons play an important part in proc- ess of formation of cohesion of transition metals. Main contributions to formation energy of disordered alloys of copper with transition metals were calculated using tight-binding ap- proach. Obtained results are in qualitatively agreement with experimental data on thermody- namic properties of Cu-3d-metal systems.


ACTIVATION ENERGY, COPPER-BASED ALOYS, FORMATION ENTHALPY OF ALLOY, TIGHT-BINDING APPROACH, TRANSITION METALS