The method of molecular dynamics (MD) simulations was used to investigate the interaction between the PLA and the attapulgite, and the influence of the temperature on the mechanical properties of the PLA and the PLA-attapulgite. After the PLA blends the attapulgite, the structures and properties of the PLA and the attapulgite change due to their strong interaction. However, this interaction weakens gradually with temperature increasing. The isotropy of the composite of PLA-attapulgite is strengthened in comparison with the PLA. In addition, the temperature can change the mechanical properties of the PLA-attapulgite, but the mechanical properties of the PLA are hardly influences on the temperature. The PLA-attapulgite is more rigid and tough than the PLA at the room temperature but the toughness of the composite of PLA-attapulgite becomes worse than that of the PLA at 350 K. (c) 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013