Cross Bond Discrete Element Method (XB-DEM) was developed as a new simulation model for analyzing the deformation and breakage behavior of particles. A key feature of XB-DEM is that the parameters correlated with the deformation and breakage behavior of particles can uniquely be determined by single particle compression tests. In XB-DEM, a particle was represented by a cluster of constituent particles whose center and surface vicinity were connected with the bond units that have the same components. The bond unit was composed of a bond spring and a bond damper and ruptured when the extension of the bond unit exceeded the rupture extension. Consequently, the parameters that correlated with the deformation and breakage behavior of the particles were only the bond spring coefficient and the rupture extension of the bond unit, considering that the bond damper coefficient was set to achieve critical damping. It was confirmed that the parameters of XB-DEM can be determined by the slope and breakage displacement of load–displacement diagrams of single particle compression tests. Furthermore, the deformation and breakage behavior of the simulated particles coincided with the experimental observations, and the simulated load–displacement diagrams quantitatively agreed with the measured ones.