In the tritium breeding blanket of nuclear fusion reactors, the heat transfer behavior and thermal-mechanical response of the tritium breeder pebble bed are affected by the inner packing structure, which is crucial for the design and optimization of a reliable pebble bed in tritium breeding blanket. Thus, the effect of pebble size distribution and fixed wall effect on packing structure and contact force in the poly-disperse pebble bed were investigated by numerical simulation. The results show that pebble size distribution has a significant influence on the inner packing structure of pebble bed. With the increase of the dispersion of pebble size, the average porosity and the average coordination number of the poly-disperse pebble bed gradually decrease. Due to the influence of the fixed wall, the porosity distribution of the pebble bed shows an obvious wall effect. For poly-disperse pebble bed, the influenced region of the wall effect gradually decreases with the increase of the dispersion of pebble size. In addition, the gravity effect and the pebble size distribution have an obvious influence on the contact force distribution inside the poly-disperse pebble bed. The majority of the contact force are weak contact force that is less than the average contact force. Only a few of pebbles have strong contact force that is greater than average contact force. This investigation can help in analyzing the pebble crushing characteristics and the thermal hydraulic analysis in the poly-disperse tritium breeder pebble bed.