Detonation processes probed with atomistic details have remained elusive due to highly complex reactions in heterogeneous shock structures. Here, we provide atomistic details of the initial reaction pathways during shock-induced decomposition of 2,4,6-triamino-1,3,5-trinitrobenzene (TATB) crystal using large reactive molecular dynamics simulations based on reactive force fields. Simulation resu...

We report the production of ultrafine rare earth metal oxide nanoparticles from metal–organic frameworks (MOFs) using lasers, exemplified by conversion three Tb-MOFs composed different linkers, such as C4H4O4 (H2Fum), C27H18O6 (H3BTB), and C24H15O6N3 (H3TATB). The size resulting terbium is precisely controlled 3 to 12 nm with a narrow distribution, which was challenging be obtained other method...

Abstract Strength is an important characteristic of material mechanical properties. Based on the microcrack model and considering internal friction effect between crack surfaces, uniaxial tensile compressive strength theoretical which can reflect anisotropy materials derived established by using initiation criteria maximum circumferential stress strain, coefficient Poisson’s ratio. By introduci...