International Communications in Heat and Mass Transfer, cilt.178, sa.P1, 2026 (SCI-Expanded, Scopus)
Today, numerous studies have been conducted to enhance the mechanical properties of various atomic structures. One such study used epoxy nanocomposites to improve the mechanical properties of nanostructures for industrial and technological applications. In this research, molecular dynamics simulations were used to investigate the mechanical properties of epoxy nanocomposites. The Detda and Dagba structures served as the fundamental matrix, while zigzag-edged graphene oxide nanoparticles were incorporated into the epoxy for this analysis. Physical parameters, including maximum stress, ultimate strength, and Ultimate Tensile Strength, were examined to assess the impact of these nanoparticles on mechanical behavior. Additionally, the mechanical properties of the sample were analyzed within the simulation box, considering variations in the initial temperature and pressure. The findings indicate that raising the temperature from 300 to 350 K resulted in decreases in maximum stress, ultimate strength, andYoung's Modulus from 0.32, 0.3, and 2.96 to 0.29, 0.28, and 2.81 GPa, respectively. The increase in the initial temperature led to a greater amplitude of atomic oscillations, which subsequently reduced the attractive force between atoms, thereby causing a decline in the aforementioned physical properties. Conversely, an increase in initial pressure diminished the amplitude of oscillations. Consequently, this led to a stronger attractive force between atomic particles and an increase. Specifically, these physical factors increased from 0.32, 0.30, and 2.96 to 0.4, 0.36, and 3.58 GPa, respectively, when the pressure was elevated from 1 to 5 bar.