optimization of the mechanical properties of al-c nanocomposite via response surface methodology: a molecular dynamics study

Nowadays, various methods are being developed for new composites and nanocomposite compounds. investigating the properties of nanocomposites and finding their optimal properties can enhance their utility. in this study, the mechanical molecular dynamics method was initially utilized to investigate the mechanical properties of an aluminum/carbon (al/c) nanocomposite. subsequently, the effect of temperature change, strain rate, and carbon content on the nanocomposite's elastic modulus and ultimate strength were investigated. to simultaneously investigate these three parameters and identify the optimal point for the elastic modulus and ultimate strength, the experimental design method for optimization was utilized. the derringer method was utilized to determine the optimal parameters for the simultaneous optimization of two response variables, i.e., elastic modulus and ultimate strength. the findings reveal that the optimal conditions occur simultaneously at 300 k, strain rate of 0.01, and carbon content of 2 %, with an elastic modulus value of 51.046 gpa and an ultimate strength value of 5.1117 gpa. finally, the results obtained from the rsm method were also compared with the molecular dynamics method.