Mechanical behavior of Pt-graphene porous biocompatible nanocomposites prepared by powder metallurgy using molecular dynamics simulation

Abstract

In the present study, the mechanical behavior of Pt-graphene nanocomposites has been investigated using molecular dynamics simulation (MDS). Preparation of Pt-graphene nanocomposite was performed by powder metallurgy method. Adding porosity to these structures reduces the weight of the manufactured specimens and ultimately increases the usability of this specimen in various industrial and medical applications. Therefore, in this study, factors such as the number of graphene nanosheets, graphene atomic ratio, and porosity on the mechanical behavior of platinum-graphene (Pt-graphene) nanocomposites have been investigated. The results show that the mechanical strength of the sample is improved by increasing the number of nanosheets in the Pt structure. By increasing the number of graphene nanosheets from 10 to 20, YM and final structure strength increase from 1099 MPa and 116 MPa to 1231 MPa and 130 MPa, respectively. By adding 4% of graphene nanosheets to nanocomposites, the amount of Young's modulus (YM) and ultimate strength (US) is reduced from the maximum value (1396 MPa and 143 MPa) to 1044 MPa and 110 MPa, due to the effects of aggregation. Also, increasing the atomic ratio of graphene from 1 to 5 % leads to an increase in YM from 1099 to 1396 MPa and an increase in US from 116 to 147 MPa. On the other hand, increasing the porosity (from 1 to 5 %) leads to a decrease in YM to 969 MPa and the nanocomposite US to 102 MPa, respectively. Finally, by performing this simulation and studying the mechanical behavior of this nanocomposite, it is expected that optimal mechanical systems can be designed for use in medical purposes.