Analyzing　the　deformation　and　damage　processes　of　high　particle　volume　fraction　composites　(HPVFCs)　based　on　the　meso-structure　modeling　plays　an　important　role　in　their　service　lifetime　and　functional　reliability.　The　reported　mesoscopic　structural　models　are　usually　ideal　models　without　initial　damage　and　apply　to　composites　with　the　volume　fraction　of　particles　less　than　80%.　This　work　provides　a　new　mesoscopic　structure　model　called　aggregate　settlement-merging　model　to　successfully　simulate　the　mechanical　behavior　and　damage　mechanism　of　the　polymer-bonded　explosive　(PBX)　under　quasi-static　loads,　and　the　macroscopic　response　is　accurately　predicted　by　the　cohesive　finite　element　method.　This　simulation　commendably　predicts　the　failure　modes　including　interface　debonding,　binder　filaments,　and　grain　failure,　which　is　consistent　with　the　observation　in　micromechanical　experiments.　The　multi-scale　relationship　between　macroscopic　mechanical　properties　and　microscopic　initial　interface　damage　is　quantitatively　established　in　a　form　of　an　exponential　function.　This　study　shows　a　relationship　between　meso-structures　and　performance　and　provides　strategy　for　designing　next　generation　high-performance　HPVFCs.　©　2023　Elsevier　Ltd