[Pw_forum] Young's Modulus

[Eyvaz Isaev]

________________________________
From: mohsen modaresi <modaresi.mohsen at gmail.com>
 
>Can Q. E calculate Young's Modulus? 

No,  no ab initio  program can  calculate E directly. You have to calculate 
elastic constants and then you can easily get the Young modulus.
See papers:  Mehl et al., PhysRev.B 41, 10311, 1990 and Mehl et al, in 
Intermetallic Compounds: Principles and Practice, vol.1, Principles, J.H. 
Wesbrook and R.L. Fleischer, eds, John Wiley and Sons (London, 1995), ch.9 (pp. 
195-210). Search 

cst-www.nrl.navy.mil/users/mehl/papers/cij452.ps.gz via google.

Bests,
Eyvaz.

 -------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com



      
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