Nowadays in scientific conference, utilizing finite element method to investigate pavement mechanical responses in different conditions has taken much into consideration with respect to latest high-performance computers. Such method can consider geometrical properties, materials behavior, state of loading and boundary conditions with a high accuracy, very close to the real condition. Simulation of asphalt mixture, in micro-scale such that it would be possible to consider each of mixture components separately leads to get a more accurate viewpoint in the field of flexible pavement performance. Therefore, by calculating the magnitudes of stress, strain and displacement in any arbitrary location in asphalt mixture prediction of local and large-scale distress will be more probable. Moreover, understanding better the performance of asphalt mixture components and calculating more accurate pavement responses can direct to a more appropriate mixture design with high performance and long life. Thus, mechanical simulation of asphalt mixtures is considerable. Although the subject is important, up to now there are limited studies in the field of micro-structural simulation of asphalt mixture. Simulating the complex geometrical structure and materials behavior of asphalt mixtures is in the first steps, and it seems that the obtained results in previous studies are not reliable independent of tests and experimental investigations. Therefore, it seems essential to conduct more investigations in the mentioned field. In this study, with the aim of finite element method, the geometrical structure and components behavior of some types of asphalt mixtures are simulated. Especially a novel method is expressed which can consider the complex geometry and gradation of asphalt mixture. This especial method of geometrical simulation is formed with the usefulness of some molecular dynamic concepts and by the aim of writing Python scripts in ABAQUS software. The effect of various types of aggregate gradation on asphalt layer responses is investigated. Therefore, different types of asphalt mixtures consisting of asphalt concrete, porous asphalt, stone matrix asphalt and large stone porous mixture are geometrically simulated, and their responses are evaluated under different loading and boundary conditions with the consideration of mastic component visco-elastic behavior in two different temperatures. The effect of vehicle loading speed, type of wheel (free or driven), and also soil layers on the horizontal and vertical displacement of asphalt layer surface are investigated. Moreover, crucial regions in asphalt mixtures are determined for the mastic and the state of stress in such regions is evaluated. In addition, with respect to mechanical responses of asphalt mixture, the fatigue life of the asphalt layer and probable types of distress are somehow predicted. The magnitudes related to different mechanical responses for all mentioned types of asphalt mixture in different conditions are demonstrated in various figures and tables.