a new three-dimensional unit cell model has been developed for modeling three constituent phases including inclusion, interphase and matrix. the total elastic modulus of nano-composite is evaluated.  numerical results are in good agreement with the previous proposed theoretical modeling. higher matrix and inclusion elastic modulus both can dramatically influence the total elastic modulus.

potassium alanate is one of the goal candidates for hydrogen storage during past decades. in this report, initially the density functional theory was applied to simulate the electronic and structural characteristic of the experimentally known kalh4 complex hydride. the relaxation of unit cell parameters and atomic positions was performed until the total residual force reduced less than 0.001ev ...

A new three-dimensional unit cell model has been developed for modeling three constituent phases including inclusion, interphase and matrix. The total elastic modulus of nano-composite is evaluated.  Numerical results are in good agreement with the previous proposed theoretical modeling. Higher matrix and inclusion elastic modulus both can dramatically influence the total elastic modulus.