The glass transition temperature and nonlinear mechanics of polymer nanocomposites are strongly influenced by the short fibers. In this paper, coarse-grained molecular dynamics simulations are used to study the effects of single-walled carbon nanotube (CNT) content on the glass transition, diffusion coefficient, viscosity and nonlinear mechanical properties of poly(methyl methacrylate) (PMMA)/CNT nanocomposites. The glass transition temperature T _gis very important for the application of the materials. The T _gis related to the specific volume of the system. Generally, the location of the discontinuity on the curve of specific volume vs. temperature is the position of T _g .Our simulation results show that the T _gof PMMA/CNT composite increases with CNT content, and the result is consistent with the experimental value (434 K). This increase of T _gis evidently due to the presence of CNTs, which imposes a limit on the mobility of the molecules of PMMA. For the free volume in the liquid state, recent experiments pointed out that the molecular mutation is relatively easy to occur because the unoccupied volume is large. Further analysis of the diffusion coefficient of the PMMA/CNT indicates that the difference in diffusion characteristic occurs above the glass transition temperature, and the diffusion coefficient of PMMA system and PMMA/CNT system are the same below the glass transition temperature. Polymer materials in the service process will inevitably suffer the deformation, and the modulus and toughness of material are inversely proportional. Based on this problem, the nonlinear mechanical properties of short CNTs added PMMA composite are studied by nonequilibrium molecular dynamics. Our results show that the yield modulus increases with the CNT content increasing. However, the toughness is almost unchanged. In order to further understand the origin of stress of PMMA/CNT nanocomposites, the stretch ratio and orientation parameters of MPPA chains are also investigated in the present work. According to the stretch ratio and orientation parameters, it is not difficult to conclude that the stress-strain curve is mainly the result of the synergistic effect of molecular chain stretching and orientation. This work provides a theoretical guidance for further experiments and processing at the atomic and molecular level.