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Die compaction is widely used to manufacture a wide range of particulate products.During die compaction, a powder is compressed under high pressures so its internal structure changes significantly.Moreover, frictional interactions between particles, particles and tooling surfaces can generate heat, and irreversible deformation of particles leads to the conversion of some kinetic energy to heat.The generation of heat induces sharp temperature rise, which is detrimental to heat sensitive materials, as it can cause significant chemical degradation and affect mechanical properties.It is hence of importance to understand the thermo-mechanical behavior of powders and to minimize heat generation during die compaction.Therefore, in the current paper, a systematic study on the thermo-mechanical behavior of pharmaceutical powders during die compaction is performed, and the effects of punch shape, compression speed and die wall friction on the thermo-mechanical behavior are explored.For this purpose,finite element analysis is performed using the commercial package ABAQUS, and user-defined subroutines are developed to model the transformation of irreversible compression work to heat.Die compaction with various shaped punches to produce flat-face (FF), shallow convex (SC) and standard convex (STC) tablets at various compression speeds are then analyzed, and evolutions of density and temperature during compaction are examined.The effects of compression speed and wall friction on thermo-mechanical behavior are also explored.It is shown that the punch shape, the compression speed and wall friction can significantly affect the thermo-mechanieal behavior.The temperature of the compressed powder changes dramatically when different shaped punches are used.The final temperature of the tablet can be reduced with the decrease of wall friction and compression speed.