Foam catalysts are perfect choice for heat and mass transfer application due to their unique properties such as low density, high specific strength and high specific surface. Dimensional stability and good mechanical properties as well as physical and chemical properties of catalysts are important. Hence, the size, distribution and shape of porosity are the most important factors on stability of the chemical, physical and mechanical properties that the review of these factors seems to be essential for designing catalysts. According to the matter, the effective parameters in mechanical properties such as porosity, pore size, temperature, and strain-rate along the loading were investigated. For this purpose, two types of geometry for foam with cylindrical geometry and ligament foams were made using X-ray micro tomography models. Then, the nanofoams were subjected to uniaxial tensile strain along the [100] axis. Also, the potential and kinetic energy as well as the stress distribution of nanofoams along the loading were investaigated. On the other hand, by comparing the potential and kinetic energy curves with the stress and potential distribution of nanofoams along the loading, a standard way to calculate the yield stress and the ultimate strength was achieved. On the other hands, the results showed that the Young’s modulus, yield strength, and ultimate tensile strength were increased by decreasing the porosity and pore size, separately. Also, the effect of temperature and strain-rate on tensile loading was shown that the Young’s modulus, yield strength, and ultimate tensile strength of foams were decreased with an increase in temperature. But the effect of strain-rate was shown that the stress distributions were changed with increasing strain rate and the Young’s modulus, yield strength, and ultimate tensile strength were increased. In fact, with an increase in strain-rate or temperature, the radial distribution function (RDF) curve represented that the crystalline phase had transformed into the amorphous phase. In addition, the study of fracture mechanisms of two different geometrics of foams showed that, the fracture of nanofoam with cylindrical geometry was done by the stress localization, nucleation and growth of cracks on the surface of pores. But in ligament foams fracture mechanisms is governed by both the ligament size and the joint size due to surface effect of nano foam in diferent ligament size. Finaly the results of simulations were compared with the modified Gibson-Ashby mathematical model and the fracture mechanism of nano-foam in different porosity were obtained. Keywords: Nanoporous, Porosity and Pore size, Aluminum single crystal, Mechanical behavior , Molecular dynamics simulation