Quasi-static compaction of polyhedra by the discrete element method

Metal hydrides have tremendous potential to meet on-board hydrogen storage requirements for fuel cell vehicles as set by the US DoE. Cyclic strain caused by addition and depletion of hydrogen in metal hydride beds results in brittle fracture and subsequent formation of micron-sized, faceted particles. These beds inhibit hydride formation because of poor inter-particle heat conduction that increases the bed's temperature during exothermic hydriding reactions. This work involves the development of a model for generating loose configurations of metal hydride powder and for assessing the commensurate quasi-static loading characteristics. Particles in the powder are modeled by regular tetrahedra and cubes. An energy-based elastic contact mechanics model for particles of general shape is utilized. The numerical methods utilized to determine quasi-static equilibrium are described and exercised with particular emphasis on issues of stability and computational efficiency. Triaxial strain is applied to simulate evolution of the solid fraction, coordination number, force network connectivity, and internal pressure as consolidation occurs in the absence of interparticle friction. These modeling elements form the mechanical basis of a model that will ultimately predict the thermo-mechanical behavior of metal hydride powders and compacts.